diff --git a/code/DepMapGeneEss/ConvertGeneEssInputData.R b/code/DepMapGeneEss/ConvertGeneEssInputData.R new file mode 100644 index 00000000..295cbc35 --- /dev/null +++ b/code/DepMapGeneEss/ConvertGeneEssInputData.R @@ -0,0 +1,69 @@ +library(tidyverse) + +setwd(dirname(rstudioapi::getActiveDocumentContext()$path)) + +d = read_csv(paste0(rstudioapi::getActiveDocumentContext(), "/data/CCLE_expression_full.csv")) +dim(d)#1377 52055 + +#transpose +ds = as_tibble(cbind(gene = names(d)[-1], t(as.matrix(d[,-1])))) +colnames(ds)[-1] = d[[1]] + +#make sure the columns are numeric instead of chr +ds2 = ds +for (i in 2:ncol(ds)) { + ds2[[i]] = as.numeric(ds[[i]]) + +} + +#convert the gene names + +#To get ensembl: +#pattern = ".*\\(([A-Z0-9]*)\\)" +#newGenes = str_match(ds$gene, pattern) +#ds2$gene = newGenes[,2] +#fix the ERCC genes +#ds2$gene[is.na(newGenes[,2])] = ds$gene[is.na(newGenes[,2])]; + +#To get gene symbols: +#It is a bit tricky, not all genes follow the pattern. Some are like LINC00328-2P (ENSG00000225016), +#some just an ensembl id (we then take the assembl id), some ERCC +newGenes = ds2$gene +x = strsplit(ds2$gene[!ERCCGenesSel], " ") +for(i in 1:length(x)) { + newGenes[i] = x[[i]][1] #handles all cases +} +length(newGenes) +length(unique(newGenes)) #not the same, we need to merge a few rows, done later + +ds2$gene = newGenes + +ds2 + + +#now convert the data. It is currently as log2(TPM + 1) +dsTPM = ds2 +dsTPM[,-1] = 2^ds2[,-1] - 1 +colSums(dsTPM[,-1])#very minor roundoff differences, ok + +#Sum up the rows that have the same gene name +duplGenes = unique(dsTPM$gene[duplicated(dsTPM$gene)]) +length(duplGenes)#9 +dsTPM[dsTPM$gene %in% duplGenes,1:10] +#CCDC39 is a good example to test +#is 1.59 + 0.150 in the first row, those should be summed up + +rowsToRem = rep(FALSE, nrow(dsTPM)) +for (i in 1:length(duplGenes)) { + inds = which(dsTPM$gene == duplGenes[i]) + dsTPM[inds[1], -1] = colSums(dsTPM[inds, -1]) #the first row now gets the sum of all rows + rowsToRem[inds[-1]] = TRUE #the other rows are marked for deletion +} +sum(rowsToRem) #9, looks good +#test: +dsTPM[[2]][dsTPM$gene == "CCDC39"] #1.74 0.15, as expected, ok +dsTPM$gene[rowsToRem] # CCDC39 is in there, ok +dsTPM2 = dsTPM[!rowsToRem,] + +write_tsv(dsTPM2, paste0(dataFolder, "DepMap_tpm_gene_symbols.txt")) + diff --git a/code/DepMapGeneEss/PlotGeneEss.R b/code/DepMapGeneEss/PlotGeneEss.R new file mode 100644 index 00000000..16fdf34c --- /dev/null +++ b/code/DepMapGeneEss/PlotGeneEss.R @@ -0,0 +1,62 @@ +library(ggplot2) +library(tidyverse) + +setwd(dirname(rstudioapi::getActiveDocumentContext()$path)) + + +figPath = "figures/" + + +############################################ +# Fig 1B - Gene essentiality +############################################ + +# load data +# fns = c("data/geneEss_model1.txt", +# "data/geneEss_newalg.txt", +# "data/geneEss_newalg2.txt" +# ) +fns = c("data/geneEss_model1.txt") + + +#names = c("tINIT","ftINIT 1+0", "ftINIT 1+1") +names = c("Human2") + +gea_res = NULL +for (i in 1:length(fns)) { + x = read.delim(file = fns[i], sep='\t', stringsAsFactors=F) + x$model = names[i] + gea_res = rbind(gea_res, x) +} +gea_res$model = factor(gea_res$model, as.character(names)[1:length(fns)]) # to enforce the model order + + +color_palette <- c('#B5D39B','#6B97BC','#E7B56C') # light green, light blue, light yellow + +p1B = ggplot(gea_res, aes(x = model, y = MCC, fill = model)) + + geom_violin(trim=F, show.legend=F, scale='count') + + scale_fill_manual(values=color_palette) + + theme_classic() + + ylab('MCC') + + xlab('') + + theme(text = element_text(size=14), + axis.text.x = element_text(angle=90, hjust=1, vjust=0.5, + color='black', size=14), + axis.text.y = element_text(color='black', size=14), + axis.line.x = element_blank()) + + ylim(c(0.08,0.40)) # + #manipulate these numbers to include all data + #ylim(c(0,0.5)) # + +p1B + + +ggsave( + paste0(figPath, "FigGeneEss.png"), + plot = p1B, + width = 3.5, height = 3.2, dpi = 300) + +ggsave( + paste0(figPath, "FigGeneEss.eps"), + plot = p1B, + width = 3.5, height = 3.2, dpi = 300) + + diff --git a/code/DepMapGeneEss/PrepDepMapData.m b/code/DepMapGeneEss/PrepDepMapData.m new file mode 100644 index 00000000..36777950 --- /dev/null +++ b/code/DepMapGeneEss/PrepDepMapData.m @@ -0,0 +1,43 @@ +%we are using depmap version 2021_Q3 + +%Prepares the DepMap data, specifically by filtering out RNA-Seq samples for which no CRISPR data exists +%cd C:/Work/MatlabCode/components/human-GEM/Human-GEMDepMapEval/Human-GEM/code/DepMapGeneEss %to be used if not running the whole file, may need to change this +cd(fileparts(which(mfilename))); %to be used if running the whole file + +%% Load and prepare DepMap RNA-Seq data (cell lines) + +% load RNA-Seq data from txt file +rna_data = readtable('data/DepMap_tpm_gene_symbols.txt'); + +% load gene essentiality data (Achilles gene effect) +ach_data = readtable('data/Achilles_gene_effect.csv'); +samples = ach_data.DepMap_ID; % extract sample IDs + +% filter RNA-Seq data to only include samples for which we have +% essentiality data +cellLineNames = rna_data.Properties.VariableNames; +%now replace '_' with '-' +cellLineNames = strrep(cellLineNames, '_', '-'); + +%{'Original column heading: 'ACH-001113''} + +keep = ismember(cellLineNames, samples); + +sum(keep) %891 +sum(keep)/length(keep) % 65%, seems reasonable + +% add RNA-Seq data to arrayData +arrayDataDepMap.genes = rna_data.gene; +arrayDataDepMap.tissues = cellLineNames(keep)'; +arrayDataDepMap.levels = table2array(rna_data(:, keep)); +arrayDataDepMap.threshold = 1; + + +% save tINIT inputs +save('data/arrayDataDepMap.mat','arrayDataDepMap'); + +%Generate ftINIT prepData - only needs to be done once. Can take up to an hour to run +model = importYaml('../../model/Human-GEM.yml'); +[model.grRules, skipped] = simplifyGrRules(model.grRules, true);%takes a few minutes to run +prepData = prepHumanModelForftINIT(model, true, '../../data/metabolicTasks/metabolicTasks_Essential.txt', '../../model/reactions.tsv'); +save('data/prepDataGeneSymbols.mat', 'prepData') diff --git a/code/DepMapGeneEss/data/DepMap data files go here.txt b/code/DepMapGeneEss/data/DepMap data files go here.txt new file mode 100644 index 00000000..e69de29b diff --git a/code/DepMapGeneEss/enrichment_test.m b/code/DepMapGeneEss/enrichment_test.m new file mode 100644 index 00000000..c7b5aa59 --- /dev/null +++ b/code/DepMapGeneEss/enrichment_test.m @@ -0,0 +1,46 @@ +%This file is for convenience copied from the Human1 paper. +function [penr,pdep] = enrichment_test(pop,sample,successes) +%enrichment_test caculates p-value of enrichment of successes in a sample. +% +% [PENR,PDEP] = enrichment_test(POP,SAMPLE,SUCCESSES) evaluates the +% significance of enrichment (and depletion) of SUCCESSES in a SAMPLE drawn +% from population POP using the hypergeometric test. +% +% +%--------------------------------- INPUTS --------------------------------- +% +% pop Vector of genes comprising the population from +% which samples are drawn. +% +% sample Vector of genes sampled from the population. +% +% successes Vector of genes in the population that are defined as +% "successes". +% +% The function will test if these "success" genes are +% significantly depleted or enriched in the sample, given +% that they were drawn from the population. +% +% EXAMPLE: If a metabolite set enrichment analysis (MSEA) is being +% performed, then SAMPLE is the list of metabolites of interest, +% and SUCCESSES is a metabolite set (e.g., TCA cycle metabolites). +% POP is the list of all metabolites from which SAMPLE and +% SUCCESSES are drawn. +% +%--------------------------------- OUTPUTS -------------------------------- +% +% penr p-value associated with enrichment of successes in sample. +% +% pdep p-value associated with depletion of successes in sample. +% +% +% ***** WARNING: P-VALUES ARE NOT ADJUSTED FOR FALSE DISCOVERY RATE! ***** +% + +x = numel(intersect(successes,sample)); % calc # of successes in sample +m = numel(pop); % calc size of population +k = numel(intersect(successes,pop)); +n = numel(sample); + +penr = hygecdf(x-1,m,k,n,'upper'); +pdep = hygecdf(x,m,k,n); diff --git a/code/DepMapGeneEss/evaluateDepMapEssentialityPredictions.m b/code/DepMapGeneEss/evaluateDepMapEssentialityPredictions.m new file mode 100644 index 00000000..f7f2a726 --- /dev/null +++ b/code/DepMapGeneEss/evaluateDepMapEssentialityPredictions.m @@ -0,0 +1,211 @@ +%This code is largely copied from the single cell modeling paper, and there in turn copied from the Human1 paper ("An atlas of human metabolism"). +%The code compares the essential genes predicted by the model with experimental data from CRISPR screens. + +%cd C:/Work/MatlabCode/components/human-GEM/Human-GEMDepMapEval/Human-GEM/code/DepMapGeneEss %to be used if not running the whole file, may need to change this +cd(fileparts(which(mfilename))); %to be used if running the whole file + +nModelComps = 1; %change to 2 if you want to compare 2 models (i.e., 2 versions of Human-GEM), 3 for three etc. +nChunksPerModel = 2;%Change to 40 for a full evaluation + + +%% load CRISPR screen data + +x = readtable('data/Achilles_gene_effect.csv'); + +genes = x.Properties.VariableDescriptions(2:end)'; +genes = regexprep(genes,"Original column heading: '",''); +%genes = regexprep(genes,"\s\(\d+\)$",''); +genes = regexprep(genes,"\s\(\d+\)'",''); + +celltypes = x.DepMap_ID; + +% convert to matrix and transpose +x = table2array(x(:,2:end))'; + +% collect results +expdata = {}; +expdata.genes = genes; +expdata.tissues = celltypes; +expdata.gene_effect = x; + +%clear x genes celltypes col_types cell_col i + + +%% Load and organize model-predicted gene essentiality results + +% load model analysis results +% Results are organized in the "eGenes" structure, with the fields: +% .taskList list of metabolic tasks tested +% .tissues list of tissue (cell line) names corresponding to each +% of the tINIT models +% .geneList cell array of cell arrays, where each entry contains a +% list of gene names contained in each of the tINIT +% models +% .essentialGenes cell array of logical matrices, with genes as +% rows (corresponding to genes in ".geneList") and +% metabolic tasks as columns (corresponding to +% tasks in ".taskList"). If a gene is essential for +% a task, its corresponding entry will be 1, +% otherwise it will be zero. +% + +% load reference model (Human-GEM) +x = load('data/prepDataGeneSymbols.mat'); +refModel = x.prepData.refModel; + +allFiles = cell(nModelComps,1); +allFiles{1} = cell(nChunksPerModel,1); +%allFiles{2} = cell(nChunksPerModel,1); +%allFiles{3} = cell(nChunksPerModel,1); +allOutFiles = {'data/geneEss_model1.txt'}; + +%allOutFiles = {'data/geneEss_model1.txt'; +% 'data/geneEss_model2.txt'; +% 'data/geneEss_model3.txt' +% }; +for i = 1:nChunksPerModel + allFiles{1}{i} = ['data/depmap_models-eGenes-' num2str(i) '.mat']; +% allFiles{2}{i} = ['../data/DepMap/ftINIT/depmap_models_newalg-eGenes-' num2str(i) '.mat']; +% allFiles{3}{i} = ['../data/DepMap/ftINIT2/depmap_models_newalg-eGenes-' num2str(i) '.mat']; +end + + +for j = 1:length(allFiles) + + % load and merge gene essentiality results + files = allFiles{j}; + eGenesAll = {}; + for i = 1:numel(files) + disp(i) + load(files{i}) + if i == 1 + eGenesAll = eGenes; + else + eGenesAll.tissues = [eGenesAll.tissues; eGenes.tissues]; + eGenesAll.geneList = [eGenesAll.geneList; eGenes.geneList]; + eGenesAll.essentialGenes = [eGenesAll.essentialGenes; eGenes.essentialGenes]; + end + end + eGenes = eGenesAll; + + % re-organize essentialGenes logical matrices into a uniform 3D matrix, + % where rows represent genes, columns are tasks, and the 3rd dimension is + % different cell lines. + for i = 1:numel(eGenes.tissues) + [hasMatch,ind] = ismember(refModel.genes, eGenes.geneList{i}); + eGenes.essentialMat(hasMatch,:,i) = eGenes.essentialGenes{i}(ind(hasMatch),:); + end + + % clear intermediate variables + clear hasMatch i ind refModelInd resultsFileName eGenesAll files f x + + + %% compare model predictions to experimental essentiality data + + % % To scan several thresholds for the depmap dataset + % scan.threshold = (linspace(-1,0,21))'; + % scan.mcc = zeros(numel(eGenes.tissues),numel(scan.threshold)); + % for k = 1:numel(scan.threshold) + % DepMapThresh = scan.threshold(k); + + + % specify model-determined essential genes + modelPred = squeeze(any(eGenes.essentialMat,2)); % essential for any task + % modelPred = squeeze(any(eGenes.essentialMat(:,end,:),2)); % essential for only biomass production + + % specify essentiality threshold (for DepMap data only) + threshold = -0.6; + + tissues = eGenes.tissues; + expdata.essential = double(expdata.gene_effect < threshold); + + % calculate true and false positives and negatives + [TP,TN,FP,FN,Penr] = deal(nan(numel(tissues),1)); % initialize variables + for i = 1:numel(tissues) + + [~,tissue_ind] = ismember(tissues(i), expdata.tissues); + if tissue_ind == 0 + error('bad'); + end + + modelGenes = refModel.genes; + if strcmpi(tissues{i},'all') + modelEssential = modelGenes(sum(modelPred,2) == size(modelPred,2)); + else + modelEssential = modelGenes(modelPred(:,i)); + end + modelNonEssential = setdiff(modelGenes, modelEssential); + + expGenes = expdata.genes(~isnan(expdata.essential(:, tissue_ind))); + expEssential = expdata.genes(expdata.essential(:, tissue_ind) == 1); + expNonEssential = setdiff(expGenes, expEssential); + + TP(i) = sum(ismember(modelEssential, expEssential)); % true positives + TN(i) = sum(ismember(modelNonEssential, expNonEssential)); % true negatives + FP(i) = sum(ismember(modelEssential, expNonEssential)); % false positives + FN(i) = sum(ismember(modelNonEssential, expEssential)); % false negatives + + Penr(i) = enrichment_test(intersect(modelGenes,expGenes), intersect(modelEssential,expGenes), intersect(expEssential,modelGenes)); + end + + % calculate some metrics + sensitivity = TP./(TP + FN); + specificity = TN./(TN + FP); + accuracy = (TP + TN)./(TP + TN + FP + FN); + F1 = 2*TP./(2*TP + FP + FN); + MCC = ((TP.*TN) - (FP.*FN))./sqrt((TP+FP).*(TP+FN).*(TN+FP).*(TN+FN)); % Matthews correlation coefficient + PenrAdj = adjust_pvalues(Penr, 'Benjamini'); + + %% Write results to file + + results = [{'cellLine','TP','TN','FP','FN','accuracy','sensitivity','specificity','F1','MCC','Penr','logPenr','PenrAdj','logPenrAdj'}; + [tissues, num2cell([TP, TN, FP, FN, accuracy, sensitivity, specificity, F1, MCC, Penr, -log10(Penr), PenrAdj, -log10(PenrAdj)])]]; + + % include threshold without sign or decimal (e.g., -0.6 = '06') + %outfile = strcat('essentiality_prediction_results_', regexprep(num2str(abs(threshold)),'\.',''), '.txt'); + %outfile = fullfile(proj_dir, 'results', 'gene_essentiality', outfile); + outfile = allOutFiles{j}; + writecell(results, outfile, 'Delimiter', '\t'); +end + + +%% Now get model statistics +%%%%%%%%%%%%%%%%%%%%%%%%%%%% + + +%% Load the models + + +allFilesTempl = {'data/depmap_models-'}; +%allFilesTempl = {'data/depmap_models-'; +% '../data/DepMap/ftINIT/depmap_models_newalg-'; +% '../data/DepMap/ftINIT2/depmap_models_newalg-' +% }; + +stats = cell(length(allFilesTempl),1); + +for j = 1:length(allFilesTempl) + %get the stats + stat = struct(); + stat.numRxns = []; %will be extended in the loop + stat.numRxnsWithGpr = []; %will be extended in the loop + for i = 1:nChunksPerModel + disp(num2str(i)) + if j == 1 + x = load([allFilesTempl{j} num2str(i) '.mat']).depmap_models; + else + x = load([allFilesTempl{j} num2str(i) '.mat']).depmap_models; + end + for k = 1:length(x) + m = x{k}; + stat.numRxns = [stat.numRxns;length(m.rxns)]; + stat.numRxnsWithGpr = [stat.numRxnsWithGpr;sum(~strcmp(m.grRules,''))]; + end + end + + stats{j} = stat; +end + +save('data/ModelStatData.mat', 'stats') + + diff --git a/code/DepMapGeneEss/generate_DepMap_models_ftINIT.m b/code/DepMapGeneEss/generate_DepMap_models_ftINIT.m new file mode 100644 index 00000000..38b4d487 --- /dev/null +++ b/code/DepMapGeneEss/generate_DepMap_models_ftINIT.m @@ -0,0 +1,78 @@ +function [] = generate_DepMap_models_ftINIT(chunk, use1Plus1) +% generate tINIT models from RNA-Seq profiles +% +% Note: This function was designed specifically for use on the cluster +% +% Input: +% +% chunk integer ranging from 1 to 10, or 'test' to run a test that +% generates only one model. +% +% use1Plus1 if TRUE, run ftINIT with 1+1 +% (Default = FALSE) +% + +if nargin < 2 + use1Plus1 = false; +end + +%setRavenSolver('gurobi'); + +pwd() +%% run ftINIT + +%we replace the arraydata with the one from depmap +load('./data/arrayDataDepMap.mat') +arrayData = arrayDataDepMap; %no need to add anything + + +% load inputs generated using "prepare_tINIT_inputs" function +load('./data/prepDataGeneSymbols.mat'); + +nChunks = 40; +indx = round(linspace(0, numel(arrayData.tissues), nChunks+1))'; +model_chunks = arrayfun(@(i) (indx(i)+1:indx(i+1))', (1:nChunks)', 'UniformOutput', false); +if strcmpi(chunk, 'test') + model_indx = 1; +else + model_indx = model_chunks{chunk}; +end + +% extract subset of array data for building models +arrayData.tissues = arrayData.tissues(model_indx); +arrayData.levels = arrayData.levels(:, model_indx); + +nModels = length(model_indx); + +depmap_models = cell(nModels, 1); + +if use1Plus1 + INITSteps = '1+1'; +else + INITSteps = '1+0'; +end + +for i = 1:nModels + if (isempty(depmap_models{i})) + disp(['running model: ' num2str(i)]) + tic + mres = ftINIT(prepData,arrayData.tissues{i},[],[],arrayData,{},getHumanGEMINITSteps(INITSteps),false,true,[]); + toc + mres.id = arrayData.tissues{i}; + depmap_models{i,1} = mres; + end +end + +% save results +if isnumeric(chunk) + if use1Plus1 + filename = strcat('./data/depmap_models_1p1-',num2str(chunk)); + else + filename = strcat('./data/depmap_models-',num2str(chunk)); + end +else + filename = 'depmap_models-TEST'; +end +save(filename,'depmap_models'); + +end diff --git a/code/DepMapGeneEss/generate_DepMap_models_ftINIT_Cluster.m b/code/DepMapGeneEss/generate_DepMap_models_ftINIT_Cluster.m new file mode 100644 index 00000000..6754fcdc --- /dev/null +++ b/code/DepMapGeneEss/generate_DepMap_models_ftINIT_Cluster.m @@ -0,0 +1,26 @@ +function [] = generate_DepMap_models_ftINIT_Cluster(chunk, use1Plus1) +% generate tINIT models from RNA-Seq profiles +% +% Note: This function was designed specifically for use on the cluster +% +% Input: +% +% chunk integer ranging from 1 to 10, or 'test' to run a test that +% generates only one model. +% +% use1Plus1 if TRUE, run ftINIT with 1+1 +% (Default = FALSE) +% + +if nargin < 2 + use1Plus1 = false; +end + +% add paths +addpath(genpath('../components/RAVEN')); +addpath(genpath('../components/COBRA')); +addpath(genpath('../components/Human-GEM')); + +cd '../components/Human-GEM/code/DepMapGeneEss' + +generate_DepMap_models_ftINIT(chunk, use1Plus1) diff --git a/code/DepMapGeneEss/getTaskEssentialGenes.m b/code/DepMapGeneEss/getTaskEssentialGenes.m new file mode 100644 index 00000000..a49e8487 --- /dev/null +++ b/code/DepMapGeneEss/getTaskEssentialGenes.m @@ -0,0 +1,79 @@ +function eGenes = getTaskEssentialGenes(models_file_start, chunk) +% Identify genes essential for different tasks in different models. +% This code is largely copied from the Human1 paper +% +% Input: +% +% models_file_start Start of path of .mat file containing a cell array of tINIT models. +% +% Output: +% +% eGenes results structure with the following fields: +% taskList list of metabolic tasks that were tested +% tissues list of tissues (model IDs) corresponding to each model +% geneList cell array of the list of genes from each model +% essentialGenes cell array with one entry per model, where each +% entry is a logical matrix with rows corresponding +% to genes (in geneList) and columns to tasks (in +% taskList). Entries in the matrix are true when a +% gene is essential for a task, and false otherwise. + +models_file = [models_file_start num2str(chunk) '.mat' ]; +out_filename = [models_file_start 'eGenes-' num2str(chunk) '.mat']; + +% verify that the cluster node has sufficient CPUs available +x = parcluster('local'); +if x.NumWorkers < 8 + error('Insufficient CPUs available (%u) for parallel processing!', x.NumWorkers); %for some reason, Vera often gives 8 cores, which is enough. +end + +%for debugging: +%models_file = '../data/init_models_depmap15.mat'; + +% load models and metabolic tasks +if isnumeric(models_file) + models_file = strcat('init_models-', num2str(models_file), '.mat'); +end +x = load(models_file); +fns = fieldnames(x); +models = getfield(x,fns{1}); + +% specify paths for cluster use +addpath(genpath('../components/RAVEN')); +addpath(genpath('../components/COBRA')); +addpath(genpath('../components/Human-GEM')); + +%setRavenSolver('gurobi'); + +taskStruct = parseTaskList('metabolicTasks_Essential.txt'); + + +% initialize variables +n = numel(models); +tissues = cell(n,1); +geneList = cell(n,1); +allEssentials = cell(n,1); + +% iterate through models in parallel for-loop +%parpool(8); % assume 8 CPUs +parfor i = 1:length(models) + % determine essential genes for each task + [~,essentialGenes] = checkTasksGenes(closeModel(models{i}),[],false,false,true,taskStruct); + + % collect results + tissues{i,1} = models{i}.id; + geneList{i,1} = models{i}.genes; + allEssentials{i,1} = essentialGenes; + +end + +% gather results into eGenes structure +eGenes = {}; +eGenes.taskList = {taskStruct(:).description}'; +eGenes.tissues = tissues; +eGenes.geneList = geneList; +eGenes.essentialGenes = allEssentials; + +% save eGenes structure +save(out_filename, 'eGenes'); + diff --git a/code/DepMapGeneEss/getTaskEssentialGenesCluster.m b/code/DepMapGeneEss/getTaskEssentialGenesCluster.m new file mode 100644 index 00000000..5f875624 --- /dev/null +++ b/code/DepMapGeneEss/getTaskEssentialGenesCluster.m @@ -0,0 +1,30 @@ +function eGenes = getTaskEssentialGenesCluster(models_file_start, chunk) +% Identify genes essential for different tasks in different models. +% This code is largely copied from the Human1 paper +% +% Input: +% +% models_file_start Start of path of .mat file containing a cell array of tINIT models. +% +% Output: +% +% eGenes results structure with the following fields: +% taskList list of metabolic tasks that were tested +% tissues list of tissues (model IDs) corresponding to each model +% geneList cell array of the list of genes from each model +% essentialGenes cell array with one entry per model, where each +% entry is a logical matrix with rows corresponding +% to genes (in geneList) and columns to tasks (in +% taskList). Entries in the matrix are true when a +% gene is essential for a task, and false otherwise. + + +% specify paths for cluster use +addpath(genpath('../components/RAVEN')); +addpath(genpath('../components/COBRA')); +addpath(genpath('../components/Human-GEM')); + +cd '../components/Human-GEM/code/DepMapGeneEss' + +eGenes = getTaskEssentialGenes(models_file_start, chunk) + diff --git a/code/DepMapGeneEss/run_evaless_depmap.sh b/code/DepMapGeneEss/run_evaless_depmap.sh new file mode 100644 index 00000000..14b91917 --- /dev/null +++ b/code/DepMapGeneEss/run_evaless_depmap.sh @@ -0,0 +1,20 @@ +#!/bin/bash +#SBATCH -A C3SE2023-1-17 -p vera +#SBATCH -n 20 +#SBATCH -t 2-00:00:00 +#SBATCH --mail-user=gustajo@chalmers.se +#SBATCH --mail-type=end # send mail when job ends + + +# instead of using the "SBATCH -o run_init-X.log" line here, +# include the flag "-o run_init-%A_%a.log" in the sbatch submission command: +# sbatch -o logs/run_evaless_depmap-%A-%a.log --array=1-2 run_evaless_depmap.sh +#change to 1-40 later +module load MATLAB/2019a +module load Gurobi/9.5.2 + +#use the upper line the first time it is run. If it generates some models and then for example runs out of time, the second line can be used to continue on the previous run +matlab -nodesktop -nodisplay -r "getTaskEssentialGenesCluster('./data/depmap_models-', ${SLURM_ARRAY_TASK_ID}); exit" < /dev/null & + +wait + diff --git a/code/DepMapGeneEss/run_gen_depmap_models.sh b/code/DepMapGeneEss/run_gen_depmap_models.sh new file mode 100644 index 00000000..8bc76e5b --- /dev/null +++ b/code/DepMapGeneEss/run_gen_depmap_models.sh @@ -0,0 +1,25 @@ +#!/bin/bash +#SBATCH -A C3SE2023-1-17 -p vera +#SBATCH -n 20 +#SBATCH -t 5-00:00:00 +#SBATCH --mail-user=gustajo@chalmers.se +#SBATCH --mail-type=end # send mail when job ends + + +# instead of using the "SBATCH -o run_init-X.log" line here, +# include the flag "-o run_init-%A_%a.log" in the sbatch submission command: +# sbatch -o logs/run_gen_depmap_models-%A-%a.log --array=1-2 run_gen_depmap_models.sh +#change to 1-40 later + +module load MATLAB/2019a +#module load GCCcore/10.3.0 +#module load GCCcore/11.2.0 +module load Gurobi/9.5.2 + +#use the upper line the first time it is run. If it generates some models and then for example runs out of time, the second line can be used to continue on the previous run +#matlab -nodesktop -nodisplay -nojvm -r "generate_DepMap_models('test'); exit" < /dev/null & +matlab -nodesktop -nodisplay -nojvm -r "generate_DepMap_models_ftINIT_Cluster(${SLURM_ARRAY_TASK_ID}); exit" < /dev/null & +#matlab -nodesktop -nodisplay -nojvm -r "generate_DepMap_models_new_alg(${SLURM_ARRAY_TASK_ID}, true); exit" < /dev/null & + +wait + diff --git a/data/deprecatedIdentifiers/deprecatedMetabolites.tsv b/data/deprecatedIdentifiers/deprecatedMetabolites.tsv index d935bba1..ffd2c7f7 100644 --- a/data/deprecatedIdentifiers/deprecatedMetabolites.tsv +++ b/data/deprecatedIdentifiers/deprecatedMetabolites.tsv @@ -2263,3 +2263,11 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa "MAM02158n" "MAM02158" "" "" "" "" "124985" "" "CE2011" "" "CE2011" "MNXM57006" "" "m02158n" "MAM00678c" "MAM00678" "" "" "" "" "22833562" "" "CE2435" "" "dec24dicoa" "MNXM1601" "" "m00678c" "MAM03035c" "MAM03035" "" "" "" "" "16019966" "" "CE5121" "" "dece3coa" "MNXM90096" "" "m03035c" +"MAM03274m" "MAM03274" "4hexdtricoa" "" "" "" "" "" "" "" "4hexdtricoa" "" "" "4hexdtricoa_m" +"MAM03653m" "MAM03653" "hexdectecoa" "" "" "" "" "" "" "" "hexdectecoa" "" "" "hexdectecoa_m" +"MAM03221m" "MAM03221" "3hexdtricoa" "" "" "" "" "" "" "" "3hexdtricoa" "" "" "3hexdtricoa_m" +"MAM03182m" "MAM03182" "2hexdtricoa" "" "" "" "" "" "" "" "2hexdtricoa" "" "" "2hexdtricoa_m" +"MAM03978m" "MAM03978" "tetdecdicoa" "" "" "" "21252281" "" "" "" "tetdecdicoa" "" "" "tetdecdicoa_m" +"MAM03203m" "MAM03203" "3ddecdicoa" "" "" "" "5280771" "" "" "" "3ddecdicoa" "" "" "3ddecdicoa_m" +"MAM02698m" "MAM02698" "2ddecdicoa" "" "" "" "5280770" "" "" "" "2ddecdicoa" "" "" "2ddecdicoa_m" +"MAM03650m" "MAM03650" "hexddcoa" "" "" "" "" "" "" "" "hexddcoa" "" "" "hexddcoa_m" diff --git a/data/deprecatedIdentifiers/deprecatedReactions.tsv b/data/deprecatedIdentifiers/deprecatedReactions.tsv index c21654f1..e92d5aae 100644 --- a/data/deprecatedIdentifiers/deprecatedReactions.tsv +++ b/data/deprecatedIdentifiers/deprecatedReactions.tsv @@ -282,4 +282,16 @@ rxns rxnKEGGID rxnBiGGID rxnEHMNID rxnHepatoNET1ID rxnREACTOMEID rxnRecon3DID rx "MAR03322" "" "" "RE3627X" "" "" "HMR_3322" "MNXR124610" "HMR_3322" "RCR14521" "" 0 "" "" "HMR_3322" "MAR03296" "" "" "RE3627M" "" "R-HSA-109343" "HMR_3296" "MNXR124610" "HMR_3296" "RCR12779" "" 0 "" "" "HMR_3296" "MAR04005" "" "" "" "" "" "RE3627C" "" "" "" "" 0 "" "" "RE3627C" +"MAR05187" "" "FAOXC15NADx" "" "" "" "FAOXC15NADx" "MNXR99293" "" "" "" 0 "" "" "FAOXC15NADx" +"MAR05186" "" "FAOXC15NADPx" "" "" "" "FAOXC15NADPx" "MNXR99292" "" "" "" 0 "" "" "FAOXC15NADPx" +"MAR05358" "" "FAOXC183C163Gm" "" "" "" "FAOXC183C163Gm" "" "" "" "" 0 "" "" "FAOXC183C163Gm" +"MAR05195" "" "FAOXC163C164Gm" "" "" "" "FAOXC163C164Gm;HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "FAOXC163C164Gm;HMR_3422;MAR03422" +"MAR05302" "" "FAOXC164GC163m" "" "" "" "FAOXC164GC163m;HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "FAOXC164GC163m;HMR_3422;MAR03422" +"MAR05229" "" "FAOXC163Gm" "" "" "" "FAOXC163Gm;HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "FAOXC163Gm;HMR_3422;MAR03422" +"MAR05208" "" "FAOXC163GC142m" "" "" "" "FAOXC163GC142m;HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "FAOXC163GC142m;HMR_3422;MAR03422" +"MAR05356" "" "FAOXC182C162m" "" "" "" "FAOXC182C162m" "" "" "" "" 0 "" "" "FAOXC182C162m" +"MAR05191" "" "FAOXC162C142m" "" "" "" "FAOXC162C142m" "" "" "" "" 0 "" "" "FAOXC162C142m" +"MAR05123" "" "FAOXC142C122m" "" "" "" "FAOXC142C122m;HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "FAOXC142C122m;HMR_3422;MAR03422" +"MAR05075" "" "FAOXC122m" "" "" "" "FAOXC122m;HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "FAOXC122m;HMR_3422;MAR03422" +"MAR05072" "" "FAOXC122C101m" "" "" "" "FAOXC122C101m;HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "FAOXC122C101m;HMR_3422;MAR03422" "MAR00965" "" "FAOXC2252053m" "" "" "" "FAOXC2252053m" "MNXR99352" "" "" "" 0 "" "" "FAOXC2252053m" diff --git a/model/Human-GEM.yml b/model/Human-GEM.yml index b98cce7e..f35fa76f 100644 --- a/model/Human-GEM.yml +++ b/model/Human-GEM.yml @@ -50465,22 +50465,6 @@ - charge: -4 - inchis: "" - metFrom: "Recon3D" - - !!omap - - id: "MAM02698m" - - name: "2,6-Dodecadienoyl Coenzyme A" - - compartment: "m" - - formula: "C33H50N7O17P3S" - - charge: -4 - - inchis: "" - - metFrom: "Recon3D" - - !!omap - - id: "MAM03203m" - - name: "3,6-Dodecadienoyl Coenzyme A" - - compartment: "m" - - formula: "C33H50N7O17P3S" - - charge: -4 - - inchis: "" - - metFrom: "Recon3D" - !!omap - id: "MAM02698x" - name: "2,6-Dodecadienoyl Coenzyme A" @@ -50545,14 +50529,6 @@ - charge: -4 - inchis: "" - metFrom: "Recon3D" - - !!omap - - id: "MAM03978m" - - name: "5,8-Tetradecadienoyl Coenzyme A" - - compartment: "m" - - formula: "C35H54N7O17P3S" - - charge: -4 - - inchis: "" - - metFrom: "Recon3D" - !!omap - id: "MAM03978x" - name: "5,8-Tetradecadienoyl Coenzyme A" @@ -50601,14 +50577,6 @@ - charge: -4 - inchis: "" - metFrom: "Recon3D" - - !!omap - - id: "MAM03650m" - - name: "7,10-Hexadecadienoyl Coenzyme A" - - compartment: "m" - - formula: "C37H58N7O17P3S" - - charge: -4 - - inchis: "" - - metFrom: "Recon3D" - !!omap - id: "MAM03982m" - name: "Trans7,10-Hexadecadienoyl Coenzyme A" @@ -50633,22 +50601,6 @@ - charge: -4 - inchis: "" - metFrom: "Recon3D" - - !!omap - - id: "MAM03274m" - - name: "4,7,10-Hexadecatrienoyl Coenzyme A" - - compartment: "m" - - formula: "C37H56N7O17P3S" - - charge: -4 - - inchis: "" - - metFrom: "Recon3D" - - !!omap - - id: "MAM03653m" - - name: "2,4,7,10-Hexadecatetraenoyl Coenzyme A" - - compartment: "m" - - formula: "C37H54N7O17P3S" - - charge: -4 - - inchis: "" - - metFrom: "Recon3D" - !!omap - id: "MAM03274x" - name: "4,7,10-Hexadecatrienoyl Coenzyme A" @@ -50665,22 +50617,6 @@ - charge: -4 - inchis: "" - metFrom: "Recon3D" - - !!omap - - id: "MAM03182m" - - name: "2,7,10-Hexadecatrienoyl Coenzyme A" - - compartment: "m" - - formula: "C37H56N7O17P3S" - - charge: -4 - - inchis: "" - - metFrom: "Recon3D" - - !!omap - - id: "MAM03221m" - - name: "3,7,10-Hexadecatrienoyl Coenzyme A" - - compartment: "m" - - formula: "C37H56N7O17P3S" - - charge: -4 - - inchis: "" - - metFrom: "Recon3D" - !!omap - id: "MAM03221x" - name: "3,7,10-Hexadecatrienoyl Coenzyme A" @@ -117663,7 +117599,7 @@ - MAM01836x: 1 - lower_bound: 0 - upper_bound: 1000 - - gene_reaction_rule: "ENSG00000131373 or ENSG00000182591" + - gene_reaction_rule: "ENSG00000131373" - rxnNotes: "" - rxnFrom: "HMRdatabase" - eccodes: "4.1.-.-" @@ -120882,7 +120818,7 @@ - lower_bound: 0 - upper_bound: 1000 - gene_reaction_rule: "ENSG00000072778 or ENSG00000115361 or ENSG00000117054 or ENSG00000177646" - - rxnNotes: "" + - rxnNotes: "Harpers illustrated Biochemistry (2009) 28th edition page 242, ISBN:9781282335806" - rxnFrom: "HMRdatabase" - eccodes: "1.3.8.7;1.3.8.8;1.3.8.9;1.3.99.-" - references: "PMID:8973539;PMID:10407780;PMID:11356167" @@ -120899,7 +120835,7 @@ - lower_bound: 0 - upper_bound: 1000 - gene_reaction_rule: "ENSG00000084754" - - rxnNotes: "" + - rxnNotes: "Harpers illustrated Biochemistry (2009) 28th edition page 242, ISBN:9781282335806" - rxnFrom: "HMRdatabase" - eccodes: "4.2.1.17" - references: "PMID:9920399;PMID:10407780;PMID:7923814;PMID:9568246" @@ -120918,7 +120854,7 @@ - lower_bound: 0 - upper_bound: 1000 - gene_reaction_rule: "ENSG00000072506 and ENSG00000084754 and ENSG00000138796" - - rxnNotes: "" + - rxnNotes: "Harpers illustrated Biochemistry (2009) 28th edition page 242, ISBN:9781282335806" - rxnFrom: "HMRdatabase" - eccodes: "1.1.1.35;1.1.1.211" - references: "PMID:7846063" @@ -120936,7 +120872,7 @@ - lower_bound: 0 - upper_bound: 1000 - gene_reaction_rule: "ENSG00000084754 and ENSG00000138029 and ENSG00000167315" - - rxnNotes: "" + - rxnNotes: "Harpers illustrated Biochemistry (2009) 28th edition page 242, ISBN:9781282335806" - rxnFrom: "HMRdatabase" - eccodes: "2.3.1.16;1.1.1.211" - references: "PMID:10407780;PMID:9920399;PMID:7923814;PMID:9568246" @@ -210271,7 +210207,7 @@ - confidence_score: 0 - !!omap - id: "MAR07108" - - name: "" + - name: "Exchange of benzo[a]pyrene" - metabolites: !!omap - MAM01374e: -1 - lower_bound: -1000 @@ -210286,7 +210222,7 @@ - confidence_score: 0 - !!omap - id: "MAR07110" - - name: "" + - name: "Exchange of naphthalene" - metabolites: !!omap - MAM02556e: -1 - lower_bound: -1000 @@ -210301,7 +210237,7 @@ - confidence_score: 0 - !!omap - id: "MAR07112" - - name: "" + - name: "Exchange of aflatoxin B1" - metabolites: !!omap - MAM01296e: -1 - lower_bound: -1000 @@ -210316,7 +210252,7 @@ - confidence_score: 0 - !!omap - id: "MAR07114" - - name: "" + - name: "Exchange of trichloroethene" - metabolites: !!omap - MAM03044e: -1 - lower_bound: -1000 @@ -210331,7 +210267,7 @@ - confidence_score: 0 - !!omap - id: "MAR07116" - - name: "" + - name: "Exchange of bromobenzene" - metabolites: !!omap - MAM01403e: -1 - lower_bound: -1000 @@ -210346,7 +210282,7 @@ - confidence_score: 0 - !!omap - id: "MAR07118" - - name: "" + - name: "Exchange of 7,12-dimethylbenz[a]anthracene" - metabolites: !!omap - MAM01174e: -1 - lower_bound: -1000 @@ -210361,7 +210297,7 @@ - confidence_score: 0 - !!omap - id: "MAR07120" - - name: "" + - name: "Exchange of 4-(n-nitrosomethylamino)-1-(3-pyridyl)-1-butanone" - metabolites: !!omap - MAM00932e: -1 - lower_bound: -1000 @@ -210376,7 +210312,7 @@ - confidence_score: 0 - !!omap - id: "MAR07122" - - name: "" + - name: "Exchange of 1-nitronaphthalene" - metabolites: !!omap - MAM00545e: -1 - lower_bound: -1000 @@ -210391,7 +210327,7 @@ - confidence_score: 0 - !!omap - id: "MAR07124" - - name: "" + - name: "Exchange of 1,1-dichloroethylene" - metabolites: !!omap - MAM00228e: -1 - lower_bound: -1000 @@ -210406,7 +210342,7 @@ - confidence_score: 0 - !!omap - id: "MAR07126" - - name: "" + - name: "Exchange of 1,2-dibromoethane" - metabolites: !!omap - MAM00242e: -1 - lower_bound: -1000 @@ -210421,7 +210357,7 @@ - confidence_score: 0 - !!omap - id: "MAR09023" - - name: "" + - name: "Exchange of TAG-extraction" - metabolites: !!omap - MAM02957e: -1 - lower_bound: -1000 @@ -210436,7 +210372,7 @@ - confidence_score: 0 - !!omap - id: "MAR09024" - - name: "" + - name: "Exchange of chylomicron" - metabolites: !!omap - MAM01570e: -1 - lower_bound: -1000 @@ -210451,7 +210387,7 @@ - confidence_score: 0 - !!omap - id: "MAR09032" - - name: "" + - name: "Exchange of SMCFA-blood-pool" - metabolites: !!omap - MAM02909e: -1 - lower_bound: -1000 @@ -210466,7 +210402,7 @@ - confidence_score: 0 - !!omap - id: "MAR09808" - - name: "" + - name: "Exchange of propanoate" - metabolites: !!omap - MAM02772e: -1 - lower_bound: -1000 @@ -210481,7 +210417,7 @@ - confidence_score: 0 - !!omap - id: "MAR09809" - - name: "" + - name: "Exchange of butyrate" - metabolites: !!omap - MAM01410e: -1 - lower_bound: -1000 @@ -210496,7 +210432,7 @@ - confidence_score: 0 - !!omap - id: "MAR09810" - - name: "" + - name: "Exchange of valeric acid" - metabolites: !!omap - MAM03134e: -1 - lower_bound: -1000 @@ -210511,7 +210447,7 @@ - confidence_score: 0 - !!omap - id: "MAR09811" - - name: "" + - name: "Exchange of hexanoic acid" - metabolites: !!omap - MAM02120e: -1 - lower_bound: -1000 @@ -210526,7 +210462,7 @@ - confidence_score: 0 - !!omap - id: "MAR09812" - - name: "" + - name: "Exchange of heptylic acid" - metabolites: !!omap - MAM02108e: -1 - lower_bound: -1000 @@ -210541,7 +210477,7 @@ - confidence_score: 0 - !!omap - id: "MAR09813" - - name: "" + - name: "Exchange of octanoic acid" - metabolites: !!omap - MAM02642e: -1 - lower_bound: -1000 @@ -210556,7 +210492,7 @@ - confidence_score: 0 - !!omap - id: "MAR09814" - - name: "" + - name: "Exchange of nonanoic acid" - metabolites: !!omap - MAM02614e: -1 - lower_bound: -1000 @@ -210571,7 +210507,7 @@ - confidence_score: 0 - !!omap - id: "MAR09815" - - name: "" + - name: "Exchange of decanoic acid" - metabolites: !!omap - MAM01648e: -1 - lower_bound: -1000 @@ -210586,7 +210522,7 @@ - confidence_score: 0 - !!omap - id: "MAR09816" - - name: "" + - name: "Exchange of undecylic acid" - metabolites: !!omap - MAM03117e: -1 - lower_bound: -1000 @@ -210601,7 +210537,7 @@ - confidence_score: 0 - !!omap - id: "MAR09033" - - name: "" + - name: "Exchange of NEFA blood pool in" - metabolites: !!omap - MAM02560e: -1 - lower_bound: -1000 @@ -210616,7 +210552,7 @@ - confidence_score: 0 - !!omap - id: "MAR09034" - - name: "" + - name: "Exchange of glucose" - metabolites: !!omap - MAM01965e: -1 - lower_bound: -1000 @@ -210631,7 +210567,7 @@ - confidence_score: 0 - !!omap - id: "MAR09035" - - name: "" + - name: "Exchange of linoleate" - metabolites: !!omap - MAM02387e: -1 - lower_bound: -1000 @@ -210646,7 +210582,7 @@ - confidence_score: 0 - !!omap - id: "MAR09036" - - name: "" + - name: "Exchange of linolenate" - metabolites: !!omap - MAM02389e: -1 - lower_bound: -1000 @@ -210661,7 +210597,7 @@ - confidence_score: 0 - !!omap - id: "MAR09037" - - name: "" + - name: "Exchange of phytanic acid" - metabolites: !!omap - MAM02746e: -1 - lower_bound: -1000 @@ -210676,7 +210612,7 @@ - confidence_score: 0 - !!omap - id: "MAR09038" - - name: "" + - name: "Exchange of histidine" - metabolites: !!omap - MAM02125e: -1 - lower_bound: -1000 @@ -210691,7 +210627,7 @@ - confidence_score: 0 - !!omap - id: "MAR09039" - - name: "" + - name: "Exchange of isoleucine" - metabolites: !!omap - MAM02184e: -1 - lower_bound: -1000 @@ -210706,7 +210642,7 @@ - confidence_score: 0 - !!omap - id: "MAR09040" - - name: "" + - name: "Exchange of leucine" - metabolites: !!omap - MAM02360e: -1 - lower_bound: -1000 @@ -210721,7 +210657,7 @@ - confidence_score: 0 - !!omap - id: "MAR09041" - - name: "" + - name: "Exchange of lysine" - metabolites: !!omap - MAM02426e: -1 - lower_bound: -1000 @@ -210736,7 +210672,7 @@ - confidence_score: 0 - !!omap - id: "MAR09042" - - name: "" + - name: "Exchange of methionine" - metabolites: !!omap - MAM02471e: -1 - lower_bound: -1000 @@ -210751,7 +210687,7 @@ - confidence_score: 0 - !!omap - id: "MAR09043" - - name: "" + - name: "Exchange of phenylalanine" - metabolites: !!omap - MAM02724e: -1 - lower_bound: -1000 @@ -210766,7 +210702,7 @@ - confidence_score: 0 - !!omap - id: "MAR09044" - - name: "" + - name: "Exchange of threonine" - metabolites: !!omap - MAM02993e: -1 - lower_bound: -1000 @@ -210781,7 +210717,7 @@ - confidence_score: 0 - !!omap - id: "MAR09045" - - name: "" + - name: "Exchange of tryptophan" - metabolites: !!omap - MAM03089e: -1 - lower_bound: -1000 @@ -210796,7 +210732,7 @@ - confidence_score: 0 - !!omap - id: "MAR09046" - - name: "" + - name: "Exchange of valine" - metabolites: !!omap - MAM03135e: -1 - lower_bound: -1000 @@ -210811,7 +210747,7 @@ - confidence_score: 0 - !!omap - id: "MAR09047" - - name: "" + - name: "Exchange of H2O" - metabolites: !!omap - MAM02040e: -1 - lower_bound: -1000 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!!omap - id: "MAR09715" - - name: "" + - name: "Exchange of spermine" - metabolites: !!omap - MAM02926e: -1 - lower_bound: -1000 @@ -217036,7 +216972,7 @@ - confidence_score: 0 - !!omap - id: "MAR09721" - - name: "" + - name: "Exchange of dolichol" - metabolites: !!omap - MAM01730e: -1 - lower_bound: -1000 @@ -217051,7 +216987,7 @@ - confidence_score: 0 - !!omap - id: "MAR09729" - - name: "" + - name: "Exchange of glycogen" - metabolites: !!omap - MAM03161e: -1 - lower_bound: -1000 @@ -217066,7 +217002,7 @@ - confidence_score: 0 - !!omap - id: "MAR09730" - - name: "" + - name: "Exchange of albumin" - metabolites: !!omap - MAM01308e: -1 - lower_bound: -1000 @@ -220213,7 +220149,7 @@ - confidence_score: 0 - !!omap - id: "MAR00564" - - name: "Exchange of 1 Acyl Phosphoglycerol" + - name: "Exchange of 1-Acyl Phosphoglycerol" - metabolites: !!omap - MAM01893e: -1 - lower_bound: -1000 @@ -220243,7 +220179,7 @@ - confidence_score: 0 - !!omap - id: "MAR00566" - - name: "Exchange of Adrenic 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0 - !!omap - id: "MAR00573" - - name: "Exchange of Nc22:6" + - name: "Exchange of DHA" - metabolites: !!omap - MAM01689e: -1 - lower_bound: -1000 @@ -220363,7 +220299,7 @@ - confidence_score: 0 - !!omap - id: "MAR00574" - - name: "Exchange of Diglyceride" + - name: "Exchange of 1,2-diacylglycerol-LD-TAG pool" - metabolites: !!omap - MAM00240e: -1 - lower_bound: -1000 @@ -220378,7 +220314,7 @@ - confidence_score: 0 - !!omap - id: "MAR00575" - - name: "Exchange of Docosa-4, 7, 10, 13, 16-Pentaenoic Acid (N-6)" + - name: "Exchange of (4Z,7Z,10Z,13Z,16Z)-DPA" - metabolites: !!omap - MAM00094e: -1 - lower_bound: -1000 @@ -220393,7 +220329,7 @@ - confidence_score: 0 - !!omap - id: "MAR00576" - - name: "Exchange of Dihomo-Gamma-Linolenic Acid (N-6)" + - name: "Exchange of dihomo-gamma-linolenate" - metabolites: !!omap - MAM01696e: -1 - lower_bound: -1000 @@ -220408,7 +220344,7 @@ - confidence_score: 0 - !!omap - id: "MAR00577" - - name: "Exchange of Eicosatetranoic Acid" + - name: "Exchange 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6R)-3, 4, 5-Trihydroxy-6- (Hydroxymethyl)Oxan-2-Yl Phosphonato]Oxy}Phosphonate" + - name: "Exchange of UDP-glucose" - metabolites: !!omap - MAM03108e: -1 - lower_bound: -1000 @@ -232414,7 +232350,7 @@ - MAM02766x: 1 - lower_bound: -1000 - upper_bound: 1000 - - gene_reaction_rule: "ENSG00000107537" + - gene_reaction_rule: "ENSG00000072210" - rxnNotes: "" - rxnFrom: "Recon3D" - eccodes: "1.2.1.48" @@ -236049,7 +235985,7 @@ - confidence_score: 0 - !!omap - id: "MAR04092" - - name: "Exchange of Prostaglandin H2" + - name: "Exchange of prostaglandin H2" - metabolites: !!omap - MAM02794e: -1 - lower_bound: -1000 @@ -236064,7 +236000,7 @@ - confidence_score: 0 - !!omap - id: "MAR04094" - - name: "Exchange of Prostaglandin I2" + - name: "Exchange of prostaglandin I2" - metabolites: !!omap - MAM02795e: -1 - lower_bound: -1000 @@ -236094,7 +236030,7 @@ - confidence_score: 0 - !!omap - id: "MAR04098" - - name: "Exchange of ({[ (2R, 3S, 5R)-3-Hydroxy-5- (5-Methyl-2, 4-Dioxo-1, 2, 3, 4-Tetrahydropyrimidin-1-Yl)Oxolan-2-Yl]Methyl Phosphonato}Oxy)Phosphonate" + - name: "Exchange of dTDP" - metabolites: !!omap - MAM01747e: -1 - lower_bound: -1000 @@ -236109,7 +236045,7 @@ - confidence_score: 0 - !!omap - id: "MAR04100" - - name: "Exchange of L-3-Cyanoalanine" + - name: "Exchange of L-3-cyanoalanine" - metabolites: !!omap - MAM02326e: -1 - lower_bound: -1000 @@ -236124,7 +236060,7 @@ - confidence_score: 0 - !!omap - id: "MAR04102" - - name: "Exchange of Antichymotrypsin" + - name: "Exchange of antichymotrypsin" - metabolites: !!omap - MAM01343e: -1 - lower_bound: -1000 @@ -236139,7 +236075,7 @@ - confidence_score: 0 - !!omap - id: "MAR04104" - - name: "Exchange of Antitrypsin" + - name: "Exchange of antitrypsin" - metabolites: !!omap - MAM01345e: -1 - lower_bound: -1000 @@ -236154,7 +236090,7 @@ - confidence_score: 0 - !!omap - id: "MAR04110" - - name: "Exchange of Apoa1" + - name: "Exchange of apoA1" - metabolites: !!omap - MAM01350e: -1 - lower_bound: -1000 @@ -236169,7 +236105,7 @@ - confidence_score: 0 - !!omap - id: "MAR04117" - - name: "Exchange of Fibrinogen" + - name: "Exchange of fibrinogen" - metabolites: !!omap - MAM01827e: -1 - lower_bound: -1000 @@ -236184,7 +236120,7 @@ - confidence_score: 0 - !!omap - id: "MAR04119" - - name: "Exchange of Haptoglobin" + - name: "Exchange of haptoglobin" - metabolites: !!omap - MAM02044e: -1 - lower_bound: -1000 @@ -236199,7 +236135,7 @@ - confidence_score: 0 - !!omap - id: "MAR04129" - - name: "Exchange of Plasminogen" + - name: "Exchange of plasminogen" - metabolites: !!omap - MAM02753e: -1 - lower_bound: -1000 @@ -236214,7 +236150,7 @@ - confidence_score: 0 - !!omap - id: "MAR04138" - - name: "Exchange of Prothrombin" + - name: "Exchange of prothrombin" - metabolites: !!omap - MAM02802e: -1 - lower_bound: -1000 @@ -236229,7 +236165,7 @@ - confidence_score: 0 - !!omap - id: "MAR04140" - - name: "Exchange of Apotransferin" + - name: "Exchange of [apotransferin]" - metabolites: !!omap - MAM00186e: -1 - lower_bound: -1000 @@ -236244,7 +236180,7 @@ - confidence_score: 0 - !!omap - id: "MAR04142" - - name: "Exchange of Chitobiose" + - name: "Exchange of chitobiose" - metabolites: !!omap - MAM01439e: -1 - lower_bound: -1000 @@ -236259,7 +236195,7 @@ - confidence_score: 0 - !!omap - id: "MAR04146" - - name: "Exchange of Taurolithocholate" + - name: "Exchange of taurolithocholate" - metabolites: !!omap - MAM02965e: -1 - lower_bound: -1000 @@ -236274,7 +236210,7 @@ - confidence_score: 0 - !!omap - id: "MAR04148" - - name: "Exchange of Glycolithocholate" + - name: "Exchange of glycolithocholate" - metabolites: !!omap - MAM02000e: -1 - lower_bound: -1000 @@ -236289,7 +236225,7 @@ - confidence_score: 0 - !!omap - id: "MAR04150" - - name: "Exchange of Tauroursodeoxycholate" + - name: "Exchange of tauroursodeoxycholate" - metabolites: !!omap - MAM02966e: -1 - lower_bound: -1000 @@ -236304,7 +236240,7 @@ - confidence_score: 0 - !!omap - id: "MAR04151" - - name: "Exchange of Glycoursodeoxycholate" + - name: "Exchange of glycoursodeoxycholate" - metabolites: !!omap - MAM02004e: -1 - lower_bound: -1000 @@ -236319,7 +236255,7 @@ - confidence_score: 0 - !!omap - id: "MAR04153" - - name: "Chenodeoxycholic acid 3-sulfate exchange" + - name: "Exchange of sulfochenodeoxycholate" - metabolites: !!omap - MAM02950e: -1 - lower_bound: -1000 @@ -236334,7 +236270,7 @@ - confidence_score: 0 - !!omap - id: "MAR04154" - - name: "Exchange" + - name: "Exchange of Gm4-Pool" - metabolites: !!omap - MAM03393e: -1 - lower_bound: -1000 @@ -236349,7 +236285,7 @@ - confidence_score: 0 - !!omap - id: "MAR04155" - - name: "Exchange of Glutathionyl-Leuc4" + - name: "Exchange of glutathionyl-leukotriene C4" - metabolites: !!omap - MAM01980e: -1 - lower_bound: -1000 @@ -236364,7 +236300,7 @@ - confidence_score: 0 - !!omap - id: "MAR04157" - - name: "Exchange of S-Glutathionyl-2-4-Dinitrobenzene" + - name: "Exchange of S-glutathionyl-2-4-dinitrobenzene" - metabolites: !!omap - MAM02900e: 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"Exchange of 2-[ (4R)-4-[ (1S, 2S, 5R, 7R, 10R, 11S, 14R, 15R)-2, 15-Dimethyl-5- (Sulfonatooxy)Tetracyclo[8.7.0.0^{2, 7}.0^{11, 15}]Heptadecan-14-Yl]Pentanamido]Ethane-1-Sulfonate" + - name: "Exchange of sulfotaurolithocholate" - metabolites: !!omap - MAM02952e: -1 - lower_bound: -1000 @@ -236454,7 +236390,7 @@ - confidence_score: 0 - !!omap - id: "MAR04195" - - name: "Exchange of Reverse-Triiodthyronine" + - name: "Exchange of reverse triiodthyronine" - metabolites: !!omap - MAM02839e: -1 - lower_bound: -1000 @@ -236469,7 +236405,7 @@ - confidence_score: 0 - !!omap - id: "MAR04203" - - name: "Exchange of Prostaglandin A1" + - name: "Exchange of prostaglandin A1" - metabolites: !!omap - MAM02776e: -1 - lower_bound: -1000 @@ -236484,7 +236420,7 @@ - confidence_score: 0 - !!omap - id: "MAR04213" - - name: "Exchange of Prostaglandin-A2" + - name: "Exchange of prostaglandin A2" - metabolites: !!omap - MAM02777e: -1 - lower_bound: -1000 @@ -236499,7 +236435,7 @@ - confidence_score: 0 - !!omap - id: "MAR04215" - - name: "Exchange of Prostaglandin-B1" + - name: "Exchange of prostaglandin B1" - metabolites: !!omap - MAM02778e: -1 - lower_bound: -1000 @@ -236514,7 +236450,7 @@ - confidence_score: 0 - !!omap - id: "MAR04217" - - name: "Exchange of Prostaglandin-B2" + - name: "Exchange of prostaglandin B2" - metabolites: !!omap - MAM02779e: -1 - lower_bound: -1000 @@ -236529,7 +236465,7 @@ - confidence_score: 0 - !!omap - id: "MAR04221" - - name: "Exchange of Prostaglandin C1" + - name: "Exchange of prostaglandin C1" - metabolites: !!omap - MAM02780e: -1 - lower_bound: -1000 @@ -236544,7 +236480,7 @@ - confidence_score: 0 - !!omap - id: "MAR04223" - - name: "Exchange of Prostaglandin-C2" + - name: "Exchange of prostaglandin C2" - metabolites: !!omap - MAM02781e: -1 - lower_bound: -1000 @@ -236559,7 +236495,7 @@ - confidence_score: 0 - !!omap - id: "MAR04226" - - name: "Exchange of Prostaglandin-D1" + - name: "Exchange of prostaglandin D1" - metabolites: !!omap - MAM02782e: 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Prostaglandin-G2" + - name: "Exchange of prostaglandin G2" - metabolites: !!omap - MAM02792e: -1 - lower_bound: -1000 @@ -236649,7 +236585,7 @@ - confidence_score: 0 - !!omap - id: "MAR04240" - - name: "Exchange of Malonyl Coenzyme A" + - name: "Exchange of malonyl-CoA" - metabolites: !!omap - MAM02444e: -1 - lower_bound: -1000 @@ -236664,7 +236600,7 @@ - confidence_score: 0 - !!omap - id: "MAR04247" - - name: "Exchange of Arachidyl Coenzyme A" + - name: "Exchange of eicosanoyl-CoA" - metabolites: !!omap - MAM01773e: -1 - lower_bound: -1000 @@ -236679,7 +236615,7 @@ - confidence_score: 0 - !!omap - id: "MAR04256" - - name: "Exchange of Coenzyme A" + - name: "Exchange of CoA" - metabolites: !!omap - MAM01597e: -1 - lower_bound: -1000 @@ -236694,7 +236630,7 @@ - confidence_score: 0 - !!omap - id: "MAR04258" - - name: "Exchange of 3-Oxodocosanoyl Coenzyme A" + - name: "Exchange of 3-oxodocosanoyl-CoA" - metabolites: !!omap - MAM00866e: -1 - lower_bound: -1000 @@ -236709,7 +236645,7 @@ - confidence_score: 0 - !!omap - id: "MAR04272" - - name: "Exchange of Spermine Monoaldehyde" + - name: "Exchange of spermine monoaldehyde" - metabolites: !!omap - MAM02925e: -1 - lower_bound: -1000 @@ -236724,7 +236660,7 @@ - confidence_score: 0 - !!omap - id: "MAR04273" - - name: "Exchange of Spermidine Monoaldehyde 2" + - name: "Exchange of spermidine monoaldehyde 2" - metabolites: !!omap - MAM02922e: -1 - lower_bound: -1000 @@ -236739,7 +236675,7 @@ - confidence_score: 0 - !!omap - id: "MAR04286" - - name: "Exchange of Spermidine Dialdehyde" + - name: "Exchange of spermidine dialdehyde" - metabolites: !!omap - MAM02920e: -1 - lower_bound: -1000 @@ -236754,7 +236690,7 @@ - confidence_score: 0 - !!omap - id: "MAR04289" - - name: "Exchange of Hypothiocyanite" + - name: "Exchange of hypothiocyanite" - metabolites: !!omap - MAM02158e: -1 - lower_bound: -1000 @@ -236769,7 +236705,7 @@ - confidence_score: 0 - !!omap - id: "MAR04292" - - name: "Exchange of Spermidine Monoaldehyde 1" + - name: "Exchange of spermidine monoaldehyde 1" - metabolites: !!omap - MAM02921e: -1 - lower_bound: -1000 @@ -236784,7 +236720,7 @@ - confidence_score: 0 - !!omap - id: "MAR04293" - - name: "Exchange of Maltopentaose" + - name: "Exchange of maltopentaose" - metabolites: !!omap - MAM02449e: -1 - lower_bound: -1000 @@ -236799,7 +236735,7 @@ - confidence_score: 0 - !!omap - id: "MAR04294" - - name: "Exchange of Beta-Casomorphin" + - name: "Exchange of beta-casomorphin" - metabolites: !!omap - MAM01387e: -1 - lower_bound: -1000 @@ -236814,7 +236750,7 @@ - confidence_score: 0 - !!omap - id: "MAR04298" - - name: "Exchange of Beta-Casomorphin (1-6)" + - name: "Exchange of beta-casomorphin (1-6)" - metabolites: !!omap - MAM01386e: -1 - lower_bound: -1000 @@ -236829,7 +236765,7 @@ - confidence_score: 0 - !!omap - id: "MAR04305" - - name: "Exchange of Neocasomorphin" + - name: "Exchange of neocasomorphin" - metabolites: !!omap - MAM02563e: -1 - lower_bound: -1000 @@ -236844,7 +236780,7 @@ - confidence_score: 0 - !!omap - id: "MAR04307" - - name: "Exchange of Neocasomorphin (1-5)" + - name: "Exchange of neocasomorphin (1-5)" - metabolites: !!omap - MAM02562e: -1 - lower_bound: -1000 @@ -236859,7 +236795,7 @@ - confidence_score: 0 - !!omap - id: "MAR04309" - - name: "Exchange of Apelin-13" + - name: "Exchange of apelin-13" - metabolites: !!omap - MAM01348e: -1 - lower_bound: -1000 @@ -236874,7 +236810,7 @@ - confidence_score: 0 - !!omap - id: "MAR04311" - - name: "Exchange of Apelin (1-12)" + - name: "Exchange of apelin-(1-12)" - metabolites: !!omap - MAM01347e: -1 - lower_bound: -1000 @@ -236889,7 +236825,7 @@ - confidence_score: 0 - !!omap - id: "MAR04322" - - name: "Exchange of Maltoheptaose" + - name: "Exchange of maltoheptaose" - metabolites: !!omap - MAM02446e: -1 - lower_bound: -1000 @@ -236904,7 +236840,7 @@ - confidence_score: 0 - !!omap - id: "MAR04325" - - name: "Exchange of Maltononaose" + - name: "Exchange of maltononaose" - metabolites: !!omap - MAM02448e: -1 - lower_bound: -1000 @@ -236949,7 +236885,7 @@ - confidence_score: 0 - !!omap - id: "MAR04337" - - name: "Exchange of 2',3'-Cyclic UMP" + - name: "Exchange of 2,3-cyclic-UMP" - metabolites: !!omap - MAM00570e: -1 - lower_bound: -1000 @@ -236964,7 +236900,7 @@ - confidence_score: 0 - !!omap - id: "MAR04339" - - name: "Exchange of 3'-UMP" + - name: "Exchange of 3-UMP" - metabolites: !!omap - MAM00921e: -1 - lower_bound: -1000 @@ -236979,7 +236915,7 @@ - confidence_score: 0 - !!omap - id: "MAR04341" - - name: "Exchange of Kinetensin" + - name: "Exchange of kinetensin" - metabolites: !!omap - MAM02318e: -1 - lower_bound: -1000 @@ -236994,7 +236930,7 @@ - confidence_score: 0 - !!omap - id: "MAR04349" - - name: "Exchange of Kinetensin 1-7" + - name: "Exchange of kinetensin 1-7" - metabolites: !!omap - MAM02315e: -1 - lower_bound: -1000 @@ -237009,7 +236945,7 @@ - confidence_score: 0 - !!omap - id: "MAR04353" - - name: "Exchange of Kinetensin 1-8" + - name: "Exchange of kinetensin 1-8" - 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N-Acetyl-Seryl-Aspartyl-Lysyl-Proline" + - name: "Exchange of N-acetyl-seryl-aspartyl-lysyl-proline" - metabolites: !!omap - MAM02551e: -1 - lower_bound: -1000 @@ -237099,7 +237035,7 @@ - confidence_score: 0 - !!omap - id: "MAR04366" - - name: "Exchange of N-Acetyl-Seryl-Aspartate" + - name: "Exchange of N-acetyl-seryl-aspartate" - metabolites: !!omap - MAM02550e: -1 - lower_bound: -1000 @@ -237114,7 +237050,7 @@ - confidence_score: 0 - !!omap - id: "MAR04369" - - name: "Exchange of Lysyl-Proline" + - name: "Exchange of lysyl-proline" - metabolites: !!omap - MAM02429e: -1 - lower_bound: -1000 @@ -237129,7 +237065,7 @@ - confidence_score: 0 - !!omap - id: "MAR04374" - - name: "Exchange of Hypochlorous Acid" + - name: "Exchange of hypochlorite" - metabolites: !!omap - MAM02156e: -1 - lower_bound: -1000 @@ -237144,7 +237080,7 @@ - confidence_score: 0 - !!omap - id: "MAR04376" - - name: "Exchange of Nitryl Chloride" + - name: "Exchange of nitryl-chloride" - metabolites: !!omap - MAM02591e: 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name: "Exchange of D-Galactosyl-N-Acylsphingosine" + - name: "Exchange of D-galactosyl-N-acylsphingosine" - metabolites: !!omap - MAM01679e: -1 - lower_bound: -1000 @@ -237234,7 +237170,7 @@ - confidence_score: 0 - !!omap - id: "MAR04392" - - name: "Exchange of Alloxan" + - name: "Exchange of alloxan" - metabolites: !!omap - MAM01315e: -1 - lower_bound: -1000 @@ -237249,7 +237185,7 @@ - confidence_score: 0 - !!omap - id: "MAR04395" - - name: "Exchange of CDP-Ethanolamine" + - name: "Exchange of CDP-ethanolamine" - metabolites: !!omap - MAM01428e: -1 - lower_bound: -1000 @@ -237264,7 +237200,7 @@ - confidence_score: 0 - !!omap - id: "MAR04397" - - name: "Exchange of 1, 2-Diacyl-Sn-Glycerol (Didodecanoyl, N-C12:0)" + - name: "Exchange of 1,2-Diacyl-Sn-Glycerol (Didodecanoyl, N-C12:0)" - metabolites: !!omap - MAM00475e: -1 - lower_bound: -1000 @@ -237279,7 +237215,7 @@ - confidence_score: 0 - !!omap - id: "MAR04405" - - name: "Exchange of Alpha-Cehc-Glucuronide" + - name: "Exchange of 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3-Hydroxydecanoylcarnitine" - metabolites: !!omap - MAM03204e: -1 - lower_bound: -1000 @@ -238412,7 +238348,7 @@ - confidence_score: 0 - !!omap - id: "MAR04822" - - name: "Exchange of 3-Hydroxyhexadecenoyl Carnitine" + - name: "Exchange of 3-Hydroxyhexadecenoylcarnitine" - metabolites: !!omap - MAM03217e: -1 - lower_bound: -1000 @@ -238427,7 +238363,7 @@ - confidence_score: 0 - !!omap - id: "MAR04823" - - name: "Exchange of 3-Hydroxyhexadecanoyl Carnitine" + - name: "Exchange of 3-Hydroxyhexadecanoylcarnitine" - metabolites: !!omap - MAM03219e: -1 - lower_bound: -1000 @@ -238457,7 +238393,7 @@ - confidence_score: 0 - !!omap - id: "MAR04825" - - name: "Exchange of 3-Hydroxyoctadecadienoyl Carnitine" + - name: "Exchange of 3-Hydroxyoctadecadienoylcarnitine" - metabolites: !!omap - MAM03250e: -1 - lower_bound: -1000 @@ -238532,7 +238468,7 @@ - confidence_score: 0 - !!omap - id: "MAR04830" - - name: "Exchange of 3-Hydroxy Trans7, 10-Hexadecadienoyl Carnitine" + - name: "Exchange of 3-Hydroxy Trans7,10-Hexadecadienoyl Carnitine" - metabolites: !!omap - MAM03266e: -1 - lower_bound: -1000 @@ -238547,7 +238483,7 @@ - confidence_score: 0 - !!omap - id: "MAR04853" - - name: "Exchange of 3-Hydroxy Trans5, 8Tetradecadienoyl Carnitine" + - name: "Exchange of 3-Hydroxy Trans5,8Tetradecadienoyl Carnitine" - metabolites: !!omap - MAM03268e: -1 - lower_bound: -1000 @@ -238637,7 +238573,7 @@ - confidence_score: 0 - !!omap - id: "MAR04886" - - name: "Exchange of Malonyl Carnitine" + - name: "Exchange of malonyl-carnitine" - metabolites: !!omap - MAM02443e: -1 - lower_bound: -1000 @@ -238652,7 +238588,7 @@ - confidence_score: 0 - !!omap - id: "MAR04889" - - name: "Exchange of Butyryl Carnitine" + - name: "Exchange of O-butanoylcarnitine" - metabolites: !!omap - MAM02635e: -1 - lower_bound: -1000 @@ -238757,7 +238693,7 @@ - confidence_score: 0 - !!omap - id: "MAR04918" - - name: "Exchange of Octanoyl Carnitine" + - name: "Exchange of L-octanoylcarnitine" - metabolites: !!omap - MAM02409e: -1 - lower_bound: -1000 @@ -238802,7 +238738,7 @@ - confidence_score: 0 - !!omap - id: "MAR04923" - - name: "Exchange of Lauroyl Carnitine" + - name: "Exchange of dodecanoylcarnitine" - metabolites: !!omap - MAM01729e: -1 - lower_bound: -1000 @@ -238832,7 +238768,7 @@ - confidence_score: 0 - !!omap - id: "MAR04927" - - name: "Exchange of Docosenoic Acid (C22:1)" + - name: "Exchange of cis-erucic acid" - metabolites: !!omap - MAM01583e: -1 - lower_bound: -1000 @@ -238847,7 +238783,7 @@ - confidence_score: 0 - !!omap - id: "MAR04929" - - name: "Exchange of Behenic Acid" + - name: "Exchange of behenic acid" - metabolites: !!omap - MAM01373e: -1 - lower_bound: -1000 @@ -238862,7 +238798,7 @@ - confidence_score: 0 - !!omap - id: "MAR04936" - - name: "Exchange of Docosanedioic Acid" + - name: "Exchange of Docosanedioicacid" - metabolites: !!omap - MAM03560e: -1 - lower_bound: -1000 @@ -239272,44 +239208,6 @@ - subsystem: - "Fatty acid oxidation" - confidence_score: 0 - - !!omap - - id: "MAR05072" - - name: "Fatty Acid Beta Oxidation (C12:2->C10:1), Mitochondrial" - - metabolites: !!omap - - MAM00980m: 1 - - MAM01261m: 1 - - MAM01597m: -1 - - MAM02039m: 1 - - MAM02040m: -1 - - MAM02552m: -1 - - MAM02553m: 1 - - MAM02698m: -1 - - lower_bound: 0 - - upper_bound: 1000 - - gene_reaction_rule: "ENSG00000127884 and ENSG00000138796 and ENSG00000167315" - - rxnNotes: "" - - rxnFrom: "Recon3D" - - eccodes: "" - - references: "PMID:20195903;PMID:20490924;PMID:17143551" - - subsystem: - - "Fatty acid oxidation" - - confidence_score: 0 - - !!omap - - id: "MAR05075" - - name: "Isomerization (C12:2), Mitochondrial" - - metabolites: !!omap - - MAM02698m: 1 - - MAM03203m: -1 - - lower_bound: 0 - - upper_bound: 1000 - - gene_reaction_rule: "ENSG00000167969" - - rxnNotes: "" - - rxnFrom: "Recon3D" - - eccodes: "" - - references: "PMID:15351645" - - subsystem: - - "Fatty acid oxidation" - - confidence_score: 0 - !!omap - id: "MAR05081" - name: "Isomerization (C12:2), Peroxisomal" @@ -239660,30 +239558,6 @@ - subsystem: - "Fatty acid oxidation" - confidence_score: 0 - - !!omap - - id: "MAR05123" - - name: "Fatty Acid Beta Oxidation (C14:2->C12:2), Mitochondrial" - - metabolites: !!omap - - MAM01261m: 1 - - MAM01597m: -1 - - MAM01802m: -1 - - MAM01803m: 1 - - MAM02039m: 1 - - MAM02040m: -1 - - MAM02552m: -1 - - MAM02553m: 1 - - MAM03203m: 1 - - MAM03978m: -1 - - lower_bound: 0 - - upper_bound: 1000 - - gene_reaction_rule: "ENSG00000072778 and ENSG00000084754 and ENSG00000138029" - - rxnNotes: "" - - rxnFrom: "Recon3D" - - eccodes: "" - - references: "PMID:20195903;PMID:20490924;PMID:17143551" - - subsystem: - - "Fatty acid oxidation" - - confidence_score: 0 - !!omap - id: "MAR05175" - name: "Fatty Acid Beta Oxidation (C14:2->C12:2), Peroxisomal" @@ -239934,48 +239808,6 @@ - subsystem: - "Fatty acid oxidation" - confidence_score: 0 - - !!omap - - id: "MAR05186" - - name: "Fatty Acid Alpha Oxidation (2-Hydroxyphytanoyl Coenzyme A) (NADP), Peroxisomal" - - metabolites: !!omap - - MAM00655x: -1 - - MAM01836x: 1 - - MAM02039x: 2 - - MAM02040x: -1 - - MAM02554x: -1 - - MAM02555x: 1 - - MAM02766x: 1 - - lower_bound: 0 - - upper_bound: 1000 - - gene_reaction_rule: "ENSG00000072210 and ENSG00000131373" - - rxnNotes: "" - - rxnFrom: "Recon3D" - - eccodes: "" - - references: "PMID:11356164;PMID:8144536" - - subsystem: - - "Fatty acid oxidation" - - confidence_score: 0 - - !!omap - - id: "MAR05187" - - name: "Fatty Acid Alpha Oxidation (2-Hydroxyphytanoyl Coenzyme A) (NAD), Peroxisomal" - - metabolites: !!omap - - MAM00655x: -1 - - MAM01836x: 1 - - MAM02039x: 2 - - MAM02040x: -1 - - MAM02552x: -1 - - MAM02553x: 1 - - MAM02766x: 1 - - lower_bound: 0 - - upper_bound: 1000 - - gene_reaction_rule: "ENSG00000072210 and ENSG00000131373" - - rxnNotes: "" - - rxnFrom: "Recon3D" - - eccodes: "" - - references: "PMID:11591435" - - subsystem: - - "Fatty acid oxidation" - - confidence_score: 0 - !!omap - id: "MAR05188" - name: "Fatty Acid Beta Oxidation (C16:1->C14:1), Mitochondrial" @@ -240043,30 +239875,6 @@ - subsystem: - "Fatty acid oxidation" - confidence_score: 0 - - !!omap - - id: "MAR05191" - - name: "Fatty Acid Beta Oxidation (C16:2->C14:2), Mitochondrial" - - metabolites: !!omap - - MAM01261m: 1 - - MAM01597m: -1 - - MAM01802m: -1 - - MAM01803m: 1 - - MAM02039m: 1 - - MAM02040m: -1 - - MAM02552m: -1 - - MAM02553m: 1 - - MAM03650m: -1 - - MAM03978m: 1 - - lower_bound: 0 - - upper_bound: 1000 - - gene_reaction_rule: "ENSG00000072778 and ENSG00000084754 and ENSG00000138029" - - rxnNotes: "" - - rxnFrom: "Recon3D" - - eccodes: "" - - references: "PMID:20195903;PMID:20490924;PMID:17143551" - - subsystem: - - "Fatty acid oxidation" - - confidence_score: 0 - !!omap - id: "MAR05192" - name: "Fatty Acid Beta Oxidation (C16:2->C16:2Oh), Mitochondrial" @@ -240132,24 +239940,6 @@ - subsystem: - "Fatty acid oxidation" - confidence_score: 0 - - !!omap - - id: "MAR05195" - - name: "Fatty Acid Beta Oxidation (C16:3->C16:4), Mitochondrial" - - metabolites: !!omap - - MAM01802m: -1 - - MAM01803m: 1 - - MAM03274m: -1 - - MAM03653m: 1 - - lower_bound: 0 - - upper_bound: 1000 - - gene_reaction_rule: "ENSG00000072778" - - rxnNotes: "" - - rxnFrom: "Recon3D" - - eccodes: "" - - references: "PMID:17374501" - - subsystem: - - "Fatty acid oxidation" - - confidence_score: 0 - !!omap - id: "MAR05196" - name: "Fatty Acid Beta Oxidation (C16:3->C16:4), Peroxisomal" @@ -240168,44 +239958,6 @@ - subsystem: - "Fatty acid oxidation" - confidence_score: 0 - - !!omap - - id: "MAR05208" - - name: "Fatty Acid Beta Oxidation (C16:3->C14:2), Mitochondrial" - - metabolites: !!omap - - MAM01261m: 1 - - MAM01597m: -1 - - MAM02039m: 1 - - MAM02040m: -1 - - MAM02552m: -1 - - MAM02553m: 1 - - MAM03182m: -1 - - MAM03978m: 1 - - lower_bound: 0 - - upper_bound: 1000 - - gene_reaction_rule: "ENSG00000084754 and ENSG00000138029" - - rxnNotes: "" - - rxnFrom: "Recon3D" - - eccodes: "" - - references: "PMID:20195903;PMID:20490924;PMID:17143551" - - subsystem: - - "Fatty acid oxidation" - - confidence_score: 0 - - !!omap - - id: "MAR05229" - - name: "Isomerization (C16:3), Mitochondrial" - - metabolites: !!omap - - MAM03182m: 1 - - MAM03221m: -1 - - lower_bound: 0 - - upper_bound: 1000 - - gene_reaction_rule: "ENSG00000167969" - - rxnNotes: "" - - rxnFrom: "Recon3D" - - eccodes: "" - - references: "PMID:15351645" - - subsystem: - - "Fatty acid oxidation" - - confidence_score: 0 - !!omap - id: "MAR05235" - name: "Isomerization (C16:3), Peroxisomal" @@ -240321,25 +240073,6 @@ - subsystem: - "Fatty acid oxidation" - confidence_score: 0 - - !!omap - - id: "MAR05302" - - name: "Fatty Acid Beta Oxidation (C16:4->C16:3), Mitochondrial" - - metabolites: !!omap - - MAM02039m: -1 - - MAM02554m: 1 - - MAM02555m: -1 - - MAM03221m: 1 - - MAM03653m: -1 - - lower_bound: 0 - - upper_bound: 1000 - - gene_reaction_rule: "ENSG00000104325" - - rxnNotes: "" - - rxnFrom: "Recon3D" - - eccodes: "" - - references: "PMID:7818482" - - subsystem: - - "Fatty acid oxidation" - - confidence_score: 0 - !!omap - id: "MAR05306" - name: "Isomerization (C16:4), Mitochondrial" @@ -240633,30 +240366,6 @@ - subsystem: - "Fatty acid oxidation" - confidence_score: 0 - - !!omap - - id: "MAR05356" - - name: "Fatty Acid Beta Oxidation (C18:2->C16:2), Mitochondrial" - - metabolites: !!omap - - MAM01261m: 1 - - MAM01597m: -1 - - MAM01802m: -1 - - MAM01803m: 1 - - MAM02039m: 1 - - MAM02040m: -1 - - MAM02391m: -1 - - MAM02552m: -1 - - MAM02553m: 1 - - MAM03650m: 1 - - lower_bound: 0 - - upper_bound: 1000 - - gene_reaction_rule: "ENSG00000072778 and ENSG00000084754 and ENSG00000138029" - - rxnNotes: "Harpers illustrated Biochemistry (2009) 28th edition page 242, ISBN:9781282335806" - - rxnFrom: "Recon3D" - - eccodes: "" - - references: "" - - subsystem: - - "Fatty acid oxidation" - - confidence_score: 0 - !!omap - id: "MAR05357" - name: "Fatty Acid Beta Oxidation (C18:2->C18:2Oh), Mitochondrial" @@ -240676,30 +240385,6 @@ - subsystem: - "Fatty acid oxidation" - confidence_score: 0 - - !!omap - - id: "MAR05358" - - name: "Fatty Acid Beta Oxidation (C18:3->C16:3), Mitochondrial" - - metabolites: !!omap - - MAM01261m: 1 - - MAM01597m: -1 - - MAM01802m: -1 - - MAM01803m: 1 - - MAM01934m: -1 - - MAM02039m: 1 - - MAM02040m: -1 - - MAM02552m: -1 - - MAM02553m: 1 - - MAM03274m: 1 - - lower_bound: 0 - - upper_bound: 1000 - - gene_reaction_rule: "ENSG00000072778 and ENSG00000084754 and ENSG00000138029" - - rxnNotes: "" - - rxnFrom: "Recon3D" - - eccodes: "" - - references: "PMID:20195903;PMID:20490924;PMID:17143551" - - subsystem: - - "Fatty acid oxidation" - - confidence_score: 0 - !!omap - id: "MAR05359" - name: "Fatty Acid Beta Oxidation (C18:3->C16:3), Mitochondrial" @@ -240728,6 +240413,7 @@ - id: "MAR05360" - name: "Fatty Acid Beta Oxidation (C18:4->C16:3), Mitochondrial" - metabolites: !!omap + - MAM00091m: 1 - MAM01261m: 1 - MAM01597m: -1 - MAM02039m: 1 @@ -240735,7 +240421,6 @@ - MAM02552m: -1 - MAM02553m: 1 - MAM03194m: -1 - - MAM03274m: 1 - lower_bound: 0 - upper_bound: 1000 - gene_reaction_rule: "ENSG00000084754 and ENSG00000138029" @@ -244275,7 +243960,7 @@ - confidence_score: 0 - !!omap - id: "MAR08386" - - name: "Exchange of Hydroxy Proline" + - name: "Exchange of trans-4-hydroxy-L-proline" - metabolites: !!omap - MAM03037e: -1 - lower_bound: -1000 @@ -244290,7 +243975,7 @@ - confidence_score: 0 - !!omap - id: "MAR08400" - - name: "Exchange of Adenosylcobalamin" + - name: "Exchange of cobamide-coenzyme" - metabolites: !!omap - MAM01600e: -1 - lower_bound: -1000 @@ -244305,7 +243990,7 @@ - confidence_score: 0 - !!omap - id: "MAR08422" - - name: "Exchange of Alanylalanine" + - name: "Exchange of D-alanyl-D-alanine" - metabolites: !!omap - MAM03164e: -1 - lower_bound: -1000 @@ -244320,7 +244005,7 @@ - confidence_score: 0 - !!omap - id: "MAR08423" - - name: "Exchange of Beta Glucans" + - name: "Exchange of Beta-Glucans" - metabolites: !!omap - MAM03483e: -1 - lower_bound: -1000 @@ -244335,7 +244020,7 @@ - confidence_score: 0 - !!omap - id: "MAR08644" - - name: "Exchange of Carnosine" + - name: "Exchange of carnosine" - metabolites: !!omap - MAM01423e: -1 - lower_bound: -1000 @@ -244350,7 +244035,7 @@ - confidence_score: 0 - !!omap - id: "MAR08646" - - name: "Exchange of Deoxycholic Acid" + - name: "Exchange of 3alpha,12alpha-dihydroxy-5beta-cholanate" - metabolites: !!omap - MAM00745e: -1 - lower_bound: -1000 @@ -244410,7 +244095,7 @@ - confidence_score: 0 - !!omap - id: "MAR08701" - - name: "Exchange of Glycylglycine" + - name: "Exchange of Glycyl-Glycine" - metabolites: !!omap - MAM03621e: -1 - lower_bound: -1000 @@ -244440,7 +244125,7 @@ - confidence_score: 0 - !!omap - id: "MAR08707" - - name: "Exchange of Guar Gums" + - name: "Exchange of Gums" - metabolites: !!omap - MAM03638e: -1 - lower_bound: -1000 @@ -244500,7 +244185,7 @@ - confidence_score: 0 - !!omap - id: "MAR08948" - - name: "Exchange of Leucylglycine" + - name: "Exchange of Leucyl-Glycine" - metabolites: !!omap - MAM03714e: -1 - lower_bound: -1000 @@ -244530,7 +244215,7 @@ - confidence_score: 0 - !!omap - id: "MAR08950" - - name: "Exchange of Pectins" + - name: "Exchange of Pectin" - metabolites: !!omap - MAM03851e: -1 - lower_bound: -1000 @@ -244605,7 +244290,7 @@ - confidence_score: 0 - !!omap - id: "MAR08955" - - name: "Exchange of Psyllium-Glycocholic Acid Complex" + - name: "Exchange of Psillium-Glycocholic Acid Complex" - metabolites: !!omap - MAM03908e: -1 - lower_bound: -1000 @@ -244650,7 +244335,7 @@ - confidence_score: 0 - !!omap - id: "MAR08958" - - name: "Exchange of Sulfocysteine" + - name: "Exchange of S-Sulfo-L-Cysteine" - metabolites: !!omap - MAM03933e: -1 - lower_bound: -1000 @@ -244665,7 +244350,7 @@ - confidence_score: 0 - !!omap - id: "MAR08959" - - name: "Exchange of Taurodeoxycholic Acid" + - name: "Exchange of taurodeoxycholate" - metabolites: !!omap - MAM02964e: -1 - lower_bound: -1000 @@ -244680,7 +244365,7 @@ - confidence_score: 0 - !!omap - id: "MAR08960" - - name: "Exchange of Cysteaminium" + - name: "Exchange of cysteamine" - metabolites: !!omap - MAM01627e: -1 - lower_bound: -1000 @@ -244695,7 +244380,7 @@ - confidence_score: 0 - !!omap - id: "MAR08961" - - name: "Exchange of Dephospho Coenzyme A" + - name: "Exchange of dephospho-CoA" - metabolites: !!omap - MAM01674e: -1 - lower_bound: -1000 @@ -244725,7 +244410,7 @@ - confidence_score: 0 - !!omap - id: "MAR08963" - - name: "Exchange of Hypotaurine" + - name: "Exchange of hypotaurine" - metabolites: !!omap - MAM02157e: -1 - lower_bound: -1000 @@ -244740,7 +244425,7 @@ - confidence_score: 0 - !!omap - id: "MAR08964" - - name: "Exchange of Pantetheine 4-Phosphate" + - name: "Exchange of phosphopantetheine" - metabolites: !!omap - MAM02741e: -1 - lower_bound: -1000 @@ -244755,7 +244440,7 @@ - confidence_score: 0 - !!omap - id: "MAR08965" - - name: "Exchange of Pantetheine" + - name: "Exchange of pantetheine" - metabolites: !!omap - MAM02679e: -1 - lower_bound: -1000 @@ -244770,7 +244455,7 @@ - confidence_score: 0 - !!omap - id: "MAR08966" - - name: "Exchange of Ubiquinone" + - name: "Exchange of ubiquinone" - metabolites: !!omap - MAM03103e: -1 - lower_bound: -1000 @@ -244785,7 +244470,7 @@ - confidence_score: 0 - !!omap - id: "MAR08967" - - name: "Exchange of Ubiquinol" + - name: "Exchange of ubiquinol" - metabolites: !!omap - MAM03102e: -1 - lower_bound: -1000 @@ -245449,7 +245134,7 @@ - confidence_score: 0 - !!omap - id: "MAR09010" - - name: "Exchange of 3- (4-Hydroxyphenyl)Pyruvate" + - name: "Exchange of 4-hydroxyphenylpyruvate" - metabolites: !!omap - MAM01005e: -1 - lower_bound: -1000 @@ -245464,7 +245149,7 @@ - confidence_score: 0 - !!omap - id: "MAR09011" - - name: "Exchange of 3-Methyl-2-Oxobutanoate" + - name: "Exchange of 3-methyl-2-oxobutyrate" - metabolites: !!omap - MAM00824e: -1 - lower_bound: -1000 @@ -245479,7 +245164,7 @@ - confidence_score: 0 - !!omap - id: "MAR09012" - - name: "Exchange of 3-Methyl-2-Oxopentanoate" + - name: "Exchange of 2-oxo-3-methylvalerate" - metabolites: !!omap - MAM00669e: -1 - lower_bound: -1000 @@ -245494,7 +245179,7 @@ - confidence_score: 0 - !!omap - id: "MAR09013" - - name: "Exchange of 4-Methyl-2-Oxopentanoate" + - name: "Exchange of 4-methyl-2-oxopentanoate" - metabolites: !!omap - MAM01013e: -1 - lower_bound: -1000 @@ -245509,7 +245194,7 @@ - confidence_score: 0 - !!omap - id: "MAR09021" - - name: "Exchange of 5-S-Methyl-5-Thioadenosine" + - name: "Exchange of 5-methylthioadenosine" - metabolites: !!omap - MAM01116e: -1 - lower_bound: -1000 @@ -245524,7 +245209,7 @@ - confidence_score: 0 - !!omap - id: "MAR09025" - - name: "Exchange of 5-Oxoprolinate" + - name: "Exchange of 5-oxoproline" - metabolites: !!omap - MAM01127e: -1 - lower_bound: -1000 @@ -245539,7 +245224,7 @@ - confidence_score: 0 - !!omap - id: "MAR09026" - - name: "Exchange of S-Adenosyl-L-Homocysteine" + - name: "Exchange of SAH" - metabolites: !!omap - MAM02871e: -1 - lower_bound: -1000 @@ -245554,7 +245239,7 @@ - confidence_score: 0 - !!omap - id: "MAR09027" - - name: "Exchange of 5-Amino-1- (5-Phospho-D-Ribosyl)Imidazole-4-Carboxamide" + - name: "Exchange of AICAR" - metabolites: !!omap - MAM01304e: -1 - lower_bound: -1000 @@ -245569,7 +245254,7 @@ - confidence_score: 0 - !!omap - id: "MAR09028" - - name: "Exchange of Anthranilate" + - name: "Exchange of anthranilate" - metabolites: !!omap - MAM01342e: -1 - lower_bound: -1000 @@ -245584,7 +245269,7 @@ - confidence_score: 0 - !!omap - id: "MAR09029" - - name: "Exchange of N-Carbamoyl-L-Aspartate" + - name: "Exchange of N-carbamoyl-L-aspartate" - metabolites: !!omap - MAM02559e: -1 - lower_bound: -1000 @@ -246283,7 +245968,7 @@ - confidence_score: 0 - !!omap - id: "MAR09842" - - name: "Exchange of 2-Phospho-D-Glycerate" + - name: "Exchange of 2-phospho-D-glycerate" - metabolites: !!omap - MAM00674e: -1 - lower_bound: -1000 @@ -246298,7 +245983,7 @@ - confidence_score: 0 - !!omap - id: "MAR09843" - - name: "Exchange of 5-Hydroxyindoleacetate" + - name: "Exchange of 5-hydroxyindoleacetate" - metabolites: !!omap - MAM01103e: -1 - lower_bound: -1000 @@ -246313,7 +245998,7 @@ - confidence_score: 0 - !!omap - id: "MAR09844" - - name: "Exchange of N-Carbamoyl-Beta-Alaninate" + - name: "Exchange of 3-ureidopropionate" - metabolites: !!omap - MAM00923e: -1 - lower_bound: -1000 @@ -246328,7 +246013,7 @@ - confidence_score: 0 - !!omap - id: "MAR09845" - - name: "Exchange of Choline Phosphate" + - name: "Exchange of phosphocholine" - metabolites: !!omap - MAM02738e: -1 - lower_bound: -1000 @@ -246343,7 +246028,7 @@ - confidence_score: 0 - !!omap - id: "MAR09846" - - name: "Exchange of L-Cystathionine" + - name: "Exchange of L-cystathionine" - metabolites: !!omap - MAM02349e: -1 - lower_bound: -1000 @@ -246358,7 +246043,7 @@ - confidence_score: 0 - !!omap - id: "MAR09847" - - name: "Exchange of Deoxycytidylic Acid" + - name: "Exchange of dCMP" - metabolites: !!omap - MAM01644e: -1 - lower_bound: -1000 @@ -246373,7 +246058,7 @@ - confidence_score: 0 - !!omap - id: "MAR09848" - - name: "Exchange of N,N-Dimethylglycine" + - name: "Exchange of dimethylglycine" - metabolites: !!omap - MAM01708e: -1 - lower_bound: -1000 @@ -246388,7 +246073,7 @@ - confidence_score: 0 - !!omap - id: "MAR09849" - - name: "Exchange of Ethanolamine Phosphate" + - name: "Exchange of ethanolamine-phosphate" - metabolites: !!omap - MAM01798e: -1 - lower_bound: -1000 @@ -246403,7 +246088,7 @@ - confidence_score: 0 - !!omap - id: "MAR09850" - - name: "Exchange of Glycerophosphocholine" + - name: "Exchange of sn-glycerol-3-PC" - metabolites: !!omap - MAM02912e: -1 - lower_bound: -1000 @@ -246418,7 +246103,7 @@ - confidence_score: 0 - !!omap - id: "MAR09851" - - name: "Exchange of D-Glyceraldehyde" + - name: "Exchange of glyceraldehyde" - metabolites: !!omap - MAM01981e: -1 - lower_bound: -1000 @@ -246433,7 +246118,7 @@ - confidence_score: 0 - !!omap - id: "MAR09852" - - name: "Exchange of Guanidinoacetic Acid" + - name: "Exchange of guanidinoacetate" - metabolites: !!omap - MAM02036e: -1 - lower_bound: -1000 @@ -246448,7 +246133,7 @@ - confidence_score: 0 - !!omap - id: "MAR09853" - - name: "Exchange of L-Homocysteine" + - name: "Exchange of homocysteine" - metabolites: !!omap - MAM02133e: -1 - lower_bound: -1000 @@ -246463,7 +246148,7 @@ - confidence_score: 0 - !!omap - id: "MAR09854" - - name: "Ex_icit[e]" + - name: "Exchange of isocitrate" - metabolites: !!omap - MAM02183e: -1 - lower_bound: -1000 @@ -246478,7 +246163,7 @@ - confidence_score: 0 - !!omap - id: "MAR09855" - - name: "Exchange of Kynurenic Acid" + - name: "Exchange of 4-hydroxy-2-quinolinecarboxylic acid" - metabolites: !!omap - MAM00990e: -1 - lower_bound: -1000 @@ -246493,7 +246178,7 @@ - confidence_score: 0 - !!omap - id: "MAR09856" - - name: "Exchange of L-2-Aminoadipate" + - name: "Exchange of L-2-aminoadipate" - metabolites: !!omap - MAM02322e: -1 - lower_bound: -1000 @@ -246508,7 +246193,7 @@ - confidence_score: 0 - !!omap - id: "MAR09857" - - name: "Exchange of L-Kynurenine" + - name: "Exchange of kynurenine" - metabolites: !!omap - MAM02319e: -1 - lower_bound: -1000 @@ -246523,7 +246208,7 @@ - confidence_score: 0 - !!omap - id: "MAR09858" - - name: "Exchange of Phosphoenolpyruvate" + - name: "Exchange of PEP" - metabolites: !!omap - MAM02696e: -1 - lower_bound: -1000 @@ -246538,7 +246223,7 @@ - confidence_score: 0 - !!omap - id: "MAR09859" - - name: "Exchange of Quinolinic Acid" + - name: "Exchange of quinolinate" - metabolites: !!omap - MAM02822e: -1 - lower_bound: -1000 @@ -246553,7 +246238,7 @@ - confidence_score: 0 - !!omap - id: "MAR09860" - - name: "Exchange of Xanthylic Acid" + - name: "Exchange of xanthosine-5-phosphate" - metabolites: !!omap - MAM03150e: -1 - lower_bound: -1000 @@ -246568,7 +246253,7 @@ - confidence_score: 0 - !!omap - id: "MAR09861" - - name: "Exchange of Xanthosine" + - name: "Exchange of xanthosine" - metabolites: !!omap - MAM03149e: -1 - lower_bound: -1000 @@ -246583,7 +246268,7 @@ - confidence_score: 0 - !!omap - id: "MAR09862" - - name: "Exchange of 3-Phospho-D-Glycerate" + - name: "Exchange of 3-phospho-D-glycerate" - metabolites: !!omap - MAM00913e: -1 - lower_bound: -1000 @@ -246598,7 +246283,7 @@ - confidence_score: 0 - !!omap - id: "MAR09863" - - name: "Exchange" + - name: "Exchange of 3-hydroxyanthranilate" - metabolites: !!omap - MAM00775e: -1 - lower_bound: -1000 @@ -246613,7 +246298,7 @@ - confidence_score: 0 - !!omap - id: "MAR09864" - - name: "Exchange" + - name: "Exchange of UDP-glucuronate" - metabolites: !!omap - MAM03109e: -1 - lower_bound: -1000 @@ -246628,7 +246313,7 @@ - confidence_score: 0 - !!omap - id: "MAR09865" - - name: "Exchange" + - name: "Exchange of 3-hydroxy-L-kynurenine" - metabolites: !!omap - MAM00788e: -1 - lower_bound: -1000 @@ -246643,7 +246328,7 @@ - confidence_score: 0 - !!omap - id: "MAR09866" - - name: "Exchange" + - name: "Exchange of nicotinate ribonucleotide" - metabolites: !!omap - MAM02585e: -1 - lower_bound: -1000 @@ 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"Exchange of O-propanoylcarnitine" - metabolites: !!omap - MAM02657e: -1 - lower_bound: -1000 @@ -247687,7 +247372,7 @@ - confidence_score: 0 - !!omap - id: "MAR09922" - - name: "Exchange of 6Z,9Z-Octadecadienoylcarnitine" + - name: "Exchange of (6Z,9Z)-octadecadienoylcarnitine" - metabolites: !!omap - MAM00105e: -1 - lower_bound: -1000 @@ -247702,7 +247387,7 @@ - confidence_score: 0 - !!omap - id: "MAR09923" - - name: "Exchange of L-Oleoylcarnitine" + - name: "Exchange of octadecenoylcarnitine(5)" - metabolites: !!omap - MAM02639e: -1 - lower_bound: -1000 @@ -247717,7 +247402,7 @@ - confidence_score: 0 - !!omap - id: "MAR09924" - - name: "Exchange of O-Octadecanoyl-R-Carnitine" + - name: "Exchange of stearoylcarnitine" - metabolites: !!omap - MAM02940e: -1 - lower_bound: -1000 @@ -247732,7 +247417,7 @@ - confidence_score: 0 - !!omap - id: "MAR09925" - - name: "Exchange of L-Palmitoylcarnitine" + - name: "Exchange of L-palmitoylcarnitine" - metabolites: !!omap - MAM02411e: -1 - lower_bound: -1000 @@ -247747,7 +247432,7 @@ - confidence_score: 0 - !!omap - id: "MAR09926" - - name: "Exchange of Palmitoleoyl-Carnitine" + - name: "Exchange of palmitoleoyl-carnitine" - metabolites: !!omap - MAM02676e: -1 - lower_bound: -1000 @@ -249724,7 +249409,7 @@ - confidence_score: 0 - !!omap - id: "MAR10145" - - name: "Exchange of 8, 9-EET" + - name: "Exchange of 8,9-EET" - metabolites: !!omap - MAM01209e: -1 - lower_bound: -1000 @@ -250334,7 +250019,7 @@ - confidence_score: 0 - !!omap - id: "MAR10179" - - name: "Exchange of 12-Hydroperoxyeicosa-5, 8, 10, 14-Tetraenoate" + - name: "Exchange of 12(S)-HPETE" - metabolites: !!omap - MAM00309e: -1 - lower_bound: -1000 @@ -250379,7 +250064,7 @@ - confidence_score: 0 - !!omap - id: "MAR10182" - - name: "Exchange of 21-Hydroxypregnenolone" + - name: "Exchange of 21-hydroxypregnenolone" - metabolites: !!omap - MAM00605e: -1 - lower_bound: -1000 @@ -250394,7 +250079,7 @@ - confidence_score: 0 - !!omap - id: "MAR10183" - - name: "Exchange of 2-Oxoadipate" + - name: "Exchange of 2-oxoadipate" - metabolites: !!omap - MAM00670e: -1 - lower_bound: -1000 @@ -250409,7 +250094,7 @@ - confidence_score: 0 - !!omap - id: "MAR10184" - - name: "Exchange of 3- (4-Hydroxyphenyl)Lactate" + - name: "Exchange of 4-hydroxyphenyllactate" - metabolites: !!omap - MAM01004e: -1 - lower_bound: -1000 @@ -250424,7 +250109,7 @@ - confidence_score: 0 - !!omap - id: "MAR10185" - - name: "Exchange of 3-Hydroxy-2-Methylpropanoate" + - name: "Exchange of 3-hydroxyisobutyrate" - metabolites: !!omap - MAM00784e: -1 - lower_bound: -1000 @@ -250439,7 +250124,7 @@ - confidence_score: 0 - !!omap - id: "MAR10186" - - name: "Exchange of 3-Hydroxypropionate" + - name: "Exchange of hydracrylate" - metabolites: !!omap - MAM02142e: -1 - lower_bound: -1000 @@ -250454,7 +250139,7 @@ - confidence_score: 0 - !!omap - id: "MAR10187" - - name: "Exchange of 3- (3-Hydroxy-Phenyl)Propionate Hydroxy Derivative Glucuronide" + - name: "Exchange of 3-(3-Hydroxy-Phenyl)Propionate Hydroxy Derivative Glucuronide" - metabolites: !!omap - MAM03234e: -1 - lower_bound: -1000 @@ -250469,7 +250154,7 @@ - confidence_score: 0 - !!omap - id: "MAR10188" - - name: "Exchange of Methyl-Histidine" + - name: "Exchange of 3-Methylhistidine" - metabolites: !!omap - MAM03247e: -1 - lower_bound: -1000 @@ -250484,7 +250169,7 @@ - confidence_score: 0 - !!omap - id: "MAR10189" - - name: "Exchange of 3-Ureidoisobutyrate" + - name: "Exchange of 3-ureidoisobutyrate" - metabolites: !!omap - MAM00922e: -1 - lower_bound: -1000 @@ -250499,7 +250184,7 @@ - confidence_score: 0 - !!omap - id: "MAR10190" - - name: "Exchange of 4-Acetamidobutanoate" + - name: "Exchange of 4-acetamidobutanoate" - metabolites: !!omap - MAM00952e: -1 - lower_bound: -1000 @@ -250514,7 +250199,7 @@ - confidence_score: 0 - !!omap - id: "MAR10191" - - name: "Exchange of 4- (Trimethylammonio)Butanoate" + - name: "Exchange of gamma-butyrobetaine" - metabolites: !!omap - MAM01922e: -1 - lower_bound: -1000 @@ -250529,7 +250214,7 @@ - confidence_score: 0 - !!omap - id: "MAR10192" - - name: "Exchange of 5, 6-Dihydrothymine" + - name: "Exchange of dihydrothymine" - metabolites: !!omap - MAM01705e: -1 - lower_bound: -1000 @@ -250544,7 +250229,7 @@ - confidence_score: 0 - !!omap - id: "MAR10193" - - name: "Exchange of 5, 6-Dihydrouracil" + - name: "Exchange of 5,6-Dihydrouracil" - metabolites: !!omap - MAM01052e: -1 - lower_bound: -1000 @@ -250574,7 +250259,7 @@ - confidence_score: 0 - !!omap - id: "MAR10195" - - name: "Exchange of Cholesta-5, 7-Dien-3Beta-Ol" + - name: "Exchange of provitamin D3" - metabolites: !!omap - MAM02805e: -1 - lower_bound: -1000 @@ -250604,7 +250289,7 @@ - confidence_score: 0 - !!omap - id: "MAR10197" - - name: "Exchange of Acetyl-Lysine" + - name: "Exchange of Acetyl-L-Lysine" - metabolites: !!omap - MAM03401e: -1 - lower_bound: -1000 @@ -250619,7 +250304,7 @@ - confidence_score: 0 - !!omap - id: "MAR10198" - - name: "Exchange of N (2)-Acetyl-L-Ornithine" + - name: "Exchange of N-acetylornithine" - metabolites: !!omap - MAM02546e: -1 - lower_bound: -1000 @@ -250679,7 +250364,7 @@ - confidence_score: 0 - !!omap - id: "MAR10202" - - name: "Exchange of S-Adenosyl-L-Methionine" + - name: "Exchange of SAM" - metabolites: !!omap - MAM02877e: -1 - lower_bound: -1000 @@ -250694,7 +250379,7 @@ - confidence_score: 0 - !!omap - id: "MAR10203" - - name: "Exchange of 19-Hydroxyandrost-4-Ene-3, 17-Dione" + - name: "Exchange of 19-Hydroxyandrost-4-Ene-3,17-Dione" - metabolites: !!omap - MAM03433e: -1 - lower_bound: -1000 @@ -250724,7 +250409,7 @@ - confidence_score: 0 - !!omap - id: "MAR10205" - - name: "Exchange of Biliverdin" + - name: "Exchange of biliverdin" - metabolites: !!omap - MAM01399e: -1 - lower_bound: -1000 @@ -250739,7 +250424,7 @@ - confidence_score: 0 - !!omap - id: "MAR10206" - - name: "(S)-2-Aminobutanoate" + - name: "Exchange of (S)-2-aminobutanoate" - metabolites: !!omap - MAM00169e: -1 - lower_bound: -1000 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!!omap - id: "MAR10228" - - name: "Exchange of Cis, Cis-11, 14-Eicosadienoic Acid" + - name: "Exchange of Cis,Cis-11,14-Eicosadienoic Acid" - metabolites: !!omap - MAM03569e: -1 - lower_bound: -1000 @@ -251084,7 +250769,7 @@ - confidence_score: 0 - !!omap - id: "MAR10229" - - name: "Exchange of 15-Deoxy-Pgd2" + - name: "Exchange of 15-deoxy-PGD2" - metabolites: !!omap - MAM00384e: -1 - lower_bound: -1000 @@ -251099,7 +250784,7 @@ - confidence_score: 0 - !!omap - id: "MAR10230" - - name: "Exchange of Androsterone Sulfate" + - name: "Exchange of androsterone sulfate" - metabolites: !!omap - MAM01337e: -1 - lower_bound: -1000 @@ -251114,7 +250799,7 @@ - confidence_score: 0 - !!omap - id: "MAR10231" - - name: "Exchange of 5, 12, 20-Trihete" + - name: "Exchange of 5,12,20-TriHETE" - metabolites: !!omap - MAM01047e: -1 - lower_bound: -1000 @@ -251144,7 +250829,7 @@ - confidence_score: 0 - !!omap - id: "MAR10233" - - name: "Exchange of Leukotriene B5" + - name: "Exchange of leukotriene B5" - 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lower_bound: -1000 @@ -251834,7 +251519,7 @@ - confidence_score: 0 - !!omap - id: "MAR10279" - - name: "Exchange of 1-Linoleoylglycerophosphocholine (Delta 9, 12)" + - name: "Exchange of 1-Linoleoylglycerophosphocholine (Delta 9,12)" - metabolites: !!omap - MAM03814e: -1 - lower_bound: -1000 @@ -251909,7 +251594,7 @@ - confidence_score: 0 - !!omap - id: "MAR10284" - - name: "Exchange of 1-NoNADecanoylglycerophosphocholine, Sn1-Lpc (19:0)" + - name: "Exchange of 1-Nonadecanoylglycerophosphocholine, Sn1-Lpc (19:0)" - metabolites: !!omap - MAM03819e: -1 - lower_bound: -1000 @@ -251924,7 +251609,7 @@ - confidence_score: 0 - !!omap - id: "MAR10285" - - name: "Exchange of 1-Eicosenoylglycerophosphocholine (Delta 11) , Sn1-Lpc (20:1)" + - name: "Exchange of 1-Eicosenoylglycerophosphocholine (Delta 11) ,Sn1-Lpc (20:1)" - metabolites: !!omap - MAM03820e: -1 - lower_bound: -1000 @@ -252164,7 +251849,7 @@ - confidence_score: 0 - !!omap - id: "MAR10301" - - name: "Exchange of Erythro-5-Hydroxy-L-Lysinium" + - name: "Exchange of L-hydroxylysine" - metabolites: !!omap - MAM02381e: -1 - lower_bound: -1000 @@ -252359,7 +252044,7 @@ - confidence_score: 0 - !!omap - id: "MAR10314" - - name: "Exchange of 1-Linoleoylglycerophosphoethanolamine (Delta 9, 12)" + - name: "Exchange of 1-Linoleoylglycerophosphoethanolamine (Delta 9,12)" - metabolites: !!omap - MAM03856e: -1 - lower_bound: -1000 @@ -252449,7 +252134,7 @@ - confidence_score: 0 - !!omap - id: "MAR10320" - - name: "Exchange of L-Saccharopinate" + - name: "Exchange of saccharopine" - metabolites: !!omap - MAM02868e: -1 - lower_bound: -1000 @@ -252464,7 +252149,7 @@ - confidence_score: 0 - !!omap - id: "MAR10321" - - name: "Exchange of Sebacic Acid" + - name: "Exchange of Sebacicacid" - metabolites: !!omap - MAM03923e: -1 - lower_bound: -1000 @@ -252479,7 +252164,7 @@ - confidence_score: 0 - !!omap - id: "MAR10322" - - name: "Exchange of Sphingomyelin (D18:0/24:1)" + - name: "Exchange of Sm (D18:0/24:1), Sphingomyelin" - metabolites: !!omap - MAM03936e: -1 - lower_bound: -1000 @@ -252494,7 +252179,7 @@ - confidence_score: 0 - !!omap - id: "MAR10323" - - name: "Exchange of Sphingomyelin (D18:1/14:0)" + - name: "Exchange of Sm (D18:1/14:0), Sphingomyelin" - metabolites: !!omap - MAM03937e: -1 - lower_bound: -1000 @@ -252509,7 +252194,7 @@ - confidence_score: 0 - !!omap - id: "MAR10324" - - name: "Exchange of Sphingomyelin (D18:1/15:0)" + - name: "Exchange of Sm (D18:1/15:0), Sphingomyelin" - metabolites: !!omap - MAM03938e: -1 - lower_bound: -1000 @@ -252524,7 +252209,7 @@ - confidence_score: 0 - !!omap - id: "MAR10325" - - name: "Exchange of Sphingomyelin (D18:1/16:0)" + - name: "Exchange of Sm (D18:1/16:0), Sphingomyelin" - metabolites: !!omap - MAM03940e: -1 - lower_bound: -1000 @@ -252539,7 +252224,7 @@ - confidence_score: 0 - !!omap - id: "MAR10326" - - name: "Exchange of Sphingomyelin (D18:1/16:1)" + - name: "Exchange of Sm (D18:1/16:1), Sphingomyelin" - metabolites: !!omap - MAM03939e: -1 - lower_bound: -1000 @@ -252554,7 +252239,7 @@ - confidence_score: 0 - !!omap - id: "MAR10327" - - name: "Exchange of Sphingomyelin (D18:1/17:0)" + - name: "Exchange of Sm (D18:1/17:0), Sphingomyelin" - metabolites: !!omap - MAM03941e: -1 - lower_bound: -1000 @@ -252569,7 +252254,7 @@ - confidence_score: 0 - !!omap - id: "MAR10328" - - name: "Exchange of Sphingomyelin (D18:1/18:0)" + - name: "Exchange of Sm (D18:1/18:0), Sphingomyelin" - metabolites: !!omap - MAM03943e: -1 - lower_bound: -1000 @@ -252584,7 +252269,7 @@ - confidence_score: 0 - !!omap - id: "MAR10329" - - name: "Exchange of Sphingomyelin (D18:1/18:1)" + - name: "Exchange of Sm (D18:1/18:1), Sphingomyelin" - metabolites: !!omap - MAM03942e: -1 - lower_bound: -1000 @@ -252599,7 +252284,7 @@ - confidence_score: 0 - !!omap - id: "MAR10330" - - name: "Exchange of Sphingomyelin (D18:1/20:0)" + - name: "Exchange of Sm (D18:1/20:0), Sphingomyelin" - metabolites: !!omap - MAM03945e: -1 - lower_bound: -1000 @@ -252614,7 +252299,7 @@ - confidence_score: 0 - !!omap - id: "MAR10331" - - name: "Exchange of Sphingomyelin (D18:1/20:1)" + - name: "Exchange of Sm (D18:1/20:1), Sphingomyelin" - metabolites: !!omap - MAM03944e: -1 - lower_bound: -1000 @@ -252629,7 +252314,7 @@ - confidence_score: 0 - !!omap - id: "MAR10332" - - name: "Exchange of Sphingomyelin (D18:1/21:0)" + - name: "Exchange of Sm (D18:1/21:0), Sphingomyelin" - metabolites: !!omap - MAM03946e: -1 - lower_bound: -1000 @@ -252644,7 +252329,7 @@ - confidence_score: 0 - !!omap - id: "MAR10333" - - name: "Exchange of Sphingomyelin (D18:1/22:0)" + - name: "Exchange of Sm (D18:1/22:0), Sphingomyelin" - metabolites: !!omap - MAM03948e: -1 - lower_bound: -1000 @@ -252659,7 +252344,7 @@ - confidence_score: 0 - !!omap - id: "MAR10334" - - name: "Exchange of Sphingomyelin (D18:1/22:1)" + - name: "Exchange of Sm (D18:1/22:1), Sphingomyelin" - metabolites: !!omap - MAM03947e: -1 - lower_bound: -1000 @@ -252674,7 +252359,7 @@ - confidence_score: 0 - !!omap - id: "MAR10335" - - name: "Exchange of Sphingomyelin (D18:1/23:0)" + - name: "Exchange of Sm (D18:1/23:0), Sphingomyelin" - metabolites: !!omap - MAM03949e: -1 - lower_bound: -1000 @@ -252689,7 +252374,7 @@ - confidence_score: 0 - !!omap - id: "MAR10336" - - name: "Exchange of Sphingomyelin (D18:0/24:0)" + - name: "Exchange of Sm (D18:0/24:0), Sphingomyelin" - metabolites: !!omap - MAM03950e: -1 - lower_bound: -1000 @@ -252704,7 +252389,7 @@ - confidence_score: 0 - !!omap - id: "MAR10337" - - name: "Exchange of Sphingomyelin (D18:0/25:0)" + - name: "Exchange of Sm (D18:0/25:0), Sphingomyelin" - metabolites: !!omap - MAM03951e: -1 - lower_bound: -1000 @@ -252749,7 +252434,7 @@ - confidence_score: 0 - !!omap - id: "MAR10340" - - name: "Exchange of Cis-5, 8-Tetradecadienoic Acid" + - name: "Exchange of Cia-5,8, Tetradecadienoic Acid" - metabolites: !!omap - MAM03976e: -1 - lower_bound: -1000 @@ -252779,7 +252464,7 @@ - confidence_score: 0 - !!omap - id: "MAR10342" - - name: "Exchange of L-Threonate" + - name: "Exchange of threonate" - metabolites: !!omap - MAM02992e: -1 - lower_bound: -1000 @@ -252794,7 +252479,7 @@ - confidence_score: 0 - !!omap - id: "MAR10343" - - name: "Exchange of N6, N6, N6-Trimethyl-L-Lysine" + - name: "Exchange of N6,N6,N6-trimethyl-L-lysine" - metabolites: !!omap - MAM02517e: -1 - lower_bound: -1000 @@ -252824,7 +252509,7 @@ - confidence_score: 0 - !!omap - id: "MAR10345" - - name: "Exchange of Tetradecanoyl Carnitine" + - name: "Exchange of tetradecenoylcarnitine(5)" - metabolites: !!omap - MAM02974e: -1 - lower_bound: -1000 @@ -252839,7 +252524,7 @@ - confidence_score: 0 - !!omap - id: "MAR10346" - - name: "Exchange of Thromboxane B2" + - name: "Exchange of thromboxane B2" - metabolites: !!omap - MAM02995e: -1 - lower_bound: -1000 @@ -252854,7 +252539,7 @@ - confidence_score: 0 - !!omap - id: "MAR10347" - - name: "Exchange of Urocanate" + - name: "Exchange of urocanate" - metabolites: !!omap - MAM03124e: -1 - lower_bound: -1000 @@ -252869,7 +252554,7 @@ - confidence_score: 0 - !!omap - id: "MAR10348" - - name: "Exchange of W-Hydroxyl Arachidonic Acid" + - name: "Exchange of 10-HETE" - metabolites: !!omap - MAM00270e: -1 - lower_bound: -1000 @@ -252929,7 +252614,7 @@ - confidence_score: 0 - !!omap - id: "MAR10352" - - name: "Exchange of Cholesteryl Arachidonate, Cholesterol-Ester (20:4, Delta 5, 8, 11, 14)" + - name: "Exchange of Cholesteryl Arachidonate, Cholesterol-Ester (20:4, Delta 5,8,11,14)" - metabolites: !!omap - MAM04078e: -1 - lower_bound: -1000 @@ -252944,7 +252629,7 @@ - confidence_score: 0 - !!omap - id: "MAR10353" - - name: "Exchange of 1-Timnodnoyl-Cholesterol, Cholesterol-Ester (20:5, Delta 5, 8, 11, 14, 17)" + - name: "Exchange of 1-Timnodnoyl-Cholesterol, Cholesterol-Ester (20:5, Delta 5,8,11,14,17)" - metabolites: !!omap - MAM04079e: -1 - lower_bound: -1000 @@ -252959,7 +252644,7 @@ - confidence_score: 0 - !!omap - id: "MAR10354" - - name: "Exchange of Cholesteryl Docosahexanoate, Cholesterol-Ester (22:6, Delta 4, 7, 10, 13, 16, 19)" + - name: "Exchange of Cholesteryl Docosahexanoate, Cholesterol-Ester (22:6, Delta 4,7,10,13,16,19)" - metabolites: !!omap - MAM04080e: -1 - lower_bound: -1000 @@ -254021,7 +253706,7 @@ - confidence_score: 0 - !!omap - id: "MAR10415" - - name: "Exchange of Acetyl Isoleucine" + - name: "Exchange of Acetyl Isoleucine (Chemspider Id: 9964364)" - metabolites: !!omap - MAM03399e: -1 - lower_bound: -1000 @@ -254087,7 +253772,7 @@ - confidence_score: 0 - !!omap - id: "MAR10419" - - name: "Exchange of Acetyl Leucine" + - name: "Exchange of N-Acetylleucine" - metabolites: !!omap - MAM03400e: -1 - lower_bound: -1000 @@ -254134,7 +253819,7 @@ - confidence_score: 0 - !!omap - id: "MAR10422" - - name: "Exchange of Acetyl Homoserine" + - name: "Exchange of Acetylhomoserine" - metabolites: !!omap - MAM03398e: -1 - lower_bound: -1000 @@ -254165,7 +253850,7 @@ - confidence_score: 0 - !!omap - id: "MAR10424" - - name: "Exchange of Phenylacetylglycine" + - name: "Exchange of Phenylacetylglycine_phacgly" - metabolites: !!omap - MAM03862e: -1 - lower_bound: -1000 @@ -254201,7 +253886,7 @@ - confidence_score: 0 - !!omap - id: "MAR10426" - - name: "Exchange of 3- (3-Hydroxy-Phenyl)Propionate" + - name: "Exchange of 3-(3-Hydroxy-Phenyl)Propionate" - metabolites: !!omap - MAM03232e: -1 - lower_bound: -1000 @@ -254216,7 +253901,7 @@ - confidence_score: 0 - !!omap - id: "MAR10427" - - name: "Exchange of 3-Methoxytyramine" + - name: "Exchange of 3-methoxytyramine" - metabolites: !!omap - MAM00821e: -1 - lower_bound: -1000 @@ -254231,7 +253916,7 @@ - confidence_score: 0 - !!omap - id: "MAR10428" - - name: "Exchange of 5-Amino-4-Oxopentanoate" + - name: "Exchange of 5-aminolevulinate" - metabolites: !!omap - MAM01074e: -1 - lower_bound: -1000 @@ -254261,7 +253946,7 @@ - confidence_score: 0 - !!omap - id: "MAR10430" - - name: "Exchange of N-Acetyl-L-Glutamate" + - name: "Exchange of N-acetyl-L-glutamate" - metabolites: !!omap - MAM02536e: -1 - lower_bound: -1000 @@ -254276,7 +253961,7 @@ - confidence_score: 0 - !!omap - id: "MAR10431" - - name: "Exchange of Allantoin" + - name: "Exchange of allantoin" - metabolites: !!omap - MAM01313e: -1 - lower_bound: -1000 @@ -254291,7 +253976,7 @@ - confidence_score: 0 - !!omap - id: "MAR10432" - - name: "Exchange of 11-Cis-Eicosenoate" + - name: "Exchange of cis-gondoic acid" - metabolites: !!omap - MAM01584e: -1 - lower_bound: -1000 @@ -254306,7 +253991,7 @@ - confidence_score: 0 - !!omap - id: "MAR10434" - - name: "Exchange of Laurate" + - name: "Exchange of lauric acid" - metabolites: !!omap - MAM02344e: -1 - lower_bound: -1000 @@ -254321,7 +254006,7 @@ - confidence_score: 0 - !!omap - id: "MAR10435" - - name: "Exchange of Glycerol-2-Phosphate" + - name: "Exchange of Glycerol 2-Phosphate" - metabolites: !!omap - MAM03619e: -1 - lower_bound: -1000 @@ -254336,7 +254021,7 @@ - confidence_score: 0 - !!omap - id: "MAR10436" - - name: "Exchange of Glycolate" + - name: "Exchange of glycolate" - metabolites: !!omap - MAM01998e: -1 - lower_bound: -1000 @@ -254351,7 +254036,7 @@ - confidence_score: 0 - !!omap - id: "MAR10437" - - name: "Exchnage for L-Cysteate" + - name: "Exchange of L-cysteate" - metabolites: !!omap - MAM02350e: -1 - lower_bound: -1000 @@ -254366,7 +254051,7 @@ - confidence_score: 0 - !!omap - id: "MAR10438" - - name: "Exchange of Oxaloacetate" + - name: "Exchange of OAA" - metabolites: !!omap - MAM02633e: -1 - lower_bound: -1000 @@ -254381,7 +254066,7 @@ - confidence_score: 0 - !!omap - id: "MAR10439" - - name: "Exchange of Phenylacetate" + - name: "Exchange of phenylacetate" - metabolites: !!omap - MAM02720e: -1 - lower_bound: -1000 @@ -254396,7 +254081,7 @@ - confidence_score: 0 - !!omap - id: "MAR10440" - - name: "Exchange of Phenyl Lactate" + - name: "Exchange of Phenyllactate" - metabolites: !!omap - MAM03882e: -1 - lower_bound: -1000 @@ -254411,7 +254096,7 @@ - confidence_score: 0 - !!omap - id: "MAR10441" - - name: "Exchange of O-Phospho-L-Serine" + - name: "Exchange of 3-phosphoserine" - metabolites: !!omap - MAM00916e: -1 - lower_bound: -1000 @@ -254426,7 +254111,7 @@ - confidence_score: 0 - !!omap - id: "MAR10442" - - name: "Exchange of Tetradecenoate (N-C14:1)" + - name: "Exchange of (9E)-tetradecenoic acid" - metabolites: !!omap - MAM00128e: -1 - lower_bound: -1000 @@ -254903,7 +254588,7 @@ - confidence_score: 0 - !!omap - id: "MAR10472" - - name: "3-Hydroxycinnamic Acid Exchange" + - name: "Exchange of 3-Hydroxycinnamic Acid" - metabolites: !!omap - MAM03215e: -1 - lower_bound: -1000 @@ -254918,7 +254603,7 @@ - confidence_score: 0 - !!omap - id: "MAR10473" - - name: "3-Hydroxyphenylpropionic Acid Exchange" + - name: "Exchange of 3-Hydroxyphenylpropionic Acid (3-Hppa)" - metabolites: !!omap - MAM03231e: -1 - lower_bound: -1000 @@ -254933,7 +254618,7 @@ - confidence_score: 0 - !!omap - id: "MAR10474" - - name: "Exchange of Hippurate (Benzoylglycinate)" + - name: "Exchange of hippurate" - metabolites: !!omap - MAM02123e: -1 - lower_bound: -1000 @@ -254948,7 +254633,7 @@ - confidence_score: 0 - !!omap - id: "MAR10475" - - name: "Benzoic Acid Exchange" + - name: "Exchange of benzoate" - metabolites: !!omap - MAM01380e: -1 - lower_bound: -1000 @@ -254963,7 +254648,7 @@ - confidence_score: 0 - !!omap - id: "MAR10476" - - name: "P-Cresol Exchange" + - name: "Exchange of P-Cresol" - metabolites: !!omap - MAM03836e: -1 - lower_bound: -1000 @@ -255184,7 +254869,7 @@ - confidence_score: 0 - !!omap - id: "MAR10490" - - name: "Exchange of L-Normetanephrine" + - name: "Exchange of normetanephrine" - metabolites: !!omap - MAM02622e: -1 - lower_bound: -1000 @@ -255199,7 +254884,7 @@ - confidence_score: 0 - !!omap - id: "MAR10491" - - name: "Exchange of 16Alpha-Hydroxyestrone" + - name: "Exchange of 16alpha-hydroxyestrone" - metabolites: !!omap - MAM00400e: -1 - lower_bound: -1000 @@ -255214,7 +254899,7 @@ - confidence_score: 0 - !!omap - id: "MAR10492" - - name: "Exchange of Retinal" + - name: "Exchange of retinal" - metabolites: !!omap - MAM02832e: -1 - lower_bound: -1000 @@ -255229,7 +254914,7 @@ - confidence_score: 0 - !!omap - id: "MAR10493" - - name: "Exchange of Maltotetraose" + - name: "Exchange of maltotetraose" - metabolites: !!omap - MAM02451e: -1 - lower_bound: -1000 @@ -255259,7 +254944,7 @@ - confidence_score: 0 - !!omap - id: "MAR10495" - - name: "Exchange of 6,7-Dihydrobiopterin" + - name: "Exchange of dihydrobiopterin" - metabolites: !!omap - MAM01698e: -1 - lower_bound: -1000 @@ -255274,7 +254959,7 @@ - confidence_score: 0 - !!omap - id: "MAR10496" - - name: "Exchange of 5,6,7,8-Tetrahydrobiopterin" + - name: "Exchange of tetrahydrobiopterin" - metabolites: !!omap - MAM02978e: -1 - lower_bound: -1000 @@ -255289,7 +254974,7 @@ - confidence_score: 0 - !!omap - id: "MAR10497" - - name: "Exchange of AlaArgCys" + - name: "Exchange of Alanyl-Arginyl-Cysteine" - metabolites: !!omap - MAM03411e: -1 - lower_bound: -1000 @@ -255304,7 +254989,7 @@ - confidence_score: 0 - !!omap - id: "MAR10498" - - name: "Exchange of AlaArgGly" + - name: "Exchange of Alanyl-Arginyl-Glycine" - metabolites: !!omap - MAM03412e: -1 - lower_bound: -1000 @@ -255319,7 +255004,7 @@ - confidence_score: 0 - !!omap - id: "MAR10499" - - name: "Exchange of AlaAsnLeu" + - name: "Exchange of Alanyl-Asparaginyl-Leucine" - metabolites: !!omap - MAM03413e: -1 - lower_bound: -1000 @@ -255334,7 +255019,7 @@ - confidence_score: 0 - !!omap - id: "MAR10500" - - name: "Exchange of AlaGlyLys" + - name: "Exchange of Alanyl-Glycyl-Lysine" - metabolites: !!omap - MAM03414e: -1 - lower_bound: -1000 @@ -255349,7 +255034,7 @@ - confidence_score: 0 - !!omap - id: "MAR10501" - - name: "Exchange of AlaHisAla" + - name: "Exchange of Alanyl-Histidyl-Alanine" - metabolites: !!omap - MAM03415e: -1 - lower_bound: -1000 @@ -255364,7 +255049,7 @@ - confidence_score: 0 - !!omap - id: "MAR10502" - - name: "Exchange of AlaLysThr" + - name: "Exchange of Alanyl-Lysine-Threonine" - metabolites: !!omap - MAM03416e: -1 - lower_bound: -1000 @@ -255379,7 +255064,7 @@ - confidence_score: 0 - !!omap - id: "MAR10503" - - name: "Exchange of ArgAlaAla" + - name: "Exchange of Arginyl-Alanyl-Alanine" - metabolites: !!omap - MAM03435e: -1 - lower_bound: -1000 @@ -255394,7 +255079,7 @@ - confidence_score: 0 - !!omap - id: "MAR10504" - - name: "Exchange of ArgAlaPhe" + - name: "Exchange of Arginyl-Alanine-Phenylalanine" - metabolites: !!omap - MAM03436e: -1 - lower_bound: -1000 @@ -255409,7 +255094,7 @@ - confidence_score: 0 - !!omap - id: "MAR10505" - - name: "Exchange of ArgAlaThr" + - name: "Exchange of Arginyl-Alanyl-Threonine" - metabolites: !!omap - MAM03437e: -1 - lower_bound: -1000 @@ -255424,7 +255109,7 @@ - confidence_score: 0 - !!omap - id: "MAR10506" - - name: "Exchange of ArgArg" + - name: "Exchange of Arginyl-Arginine" - metabolites: !!omap - MAM03438e: -1 - lower_bound: -1000 @@ -255439,7 +255124,7 @@ - confidence_score: 0 - !!omap - id: "MAR10507" - - name: "Exchange of ArgArgLys" + - name: "Exchange of Arginyl-Arginyl-Lysine" - metabolites: !!omap - MAM03439e: -1 - lower_bound: -1000 @@ -255454,7 +255139,7 @@ - confidence_score: 0 - !!omap - id: "MAR10508" - - name: "Exchange of ArgArgMet" + - name: "Exchange of Arginyl-Arginyl-Metheonine" - metabolites: !!omap - MAM03440e: -1 - lower_bound: -1000 @@ -255469,7 +255154,7 @@ - confidence_score: 0 - !!omap - id: "MAR10509" - - name: "Exchange of ArgCysGly" + - name: "Exchange of Arginyl-Cystinyl-Glycine" - metabolites: !!omap - MAM03441e: -1 - lower_bound: -1000 @@ -255484,7 +255169,7 @@ - confidence_score: 0 - !!omap - id: "MAR10510" - - name: "Exchange of ArgCysSer" + - name: "Exchange of Arginyl-Cystinyl-Serine" - metabolites: !!omap - MAM03442e: -1 - lower_bound: -1000 @@ -255499,7 +255184,7 @@ - confidence_score: 0 - !!omap - id: "MAR10511" - - name: "Exchange of ArgGluGlu" + - name: "Exchange of Arginyl-Glutamyl-Glutamate" - metabolites: !!omap - MAM03443e: -1 - lower_bound: -1000 @@ 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Arginyl-Lysyl-Aspartate" - metabolites: !!omap - MAM03448e: -1 - lower_bound: -1000 @@ -255589,7 +255274,7 @@ - confidence_score: 0 - !!omap - id: "MAR10517" - - name: "Exchange of ArgPheArg" + - name: "Exchange of Arginyl-Phenylalanine-Arginine" - metabolites: !!omap - MAM03449e: -1 - lower_bound: -1000 @@ -255604,7 +255289,7 @@ - confidence_score: 0 - !!omap - id: "MAR10518" - - name: "Exchange of ArgProMet" + - name: "Exchange of Arginyl-Prolyl-Methionine" - metabolites: !!omap - MAM03450e: -1 - lower_bound: -1000 @@ -255619,7 +255304,7 @@ - confidence_score: 0 - !!omap - id: "MAR10519" - - name: "Exchange of ArgProThr" + - name: "Exchange of Arginyl-Prolyl-Threonine" - metabolites: !!omap - MAM03451e: -1 - lower_bound: -1000 @@ -255634,7 +255319,7 @@ - confidence_score: 0 - !!omap - id: "MAR10520" - - name: "Exchange of ArgSerSer" + - name: "Exchange of Arginyl-Seryl-Serine" - metabolites: !!omap - MAM03452e: -1 - lower_bound: -1000 @@ -255649,7 +255334,7 @@ - confidence_score: 0 - 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name: "Exchange of TrpGlyVal" + - name: "Exchange of Tryptophanyl-Glycyl-Valine" - metabolites: !!omap - MAM04019e: -1 - lower_bound: -1000 @@ -258274,7 +257959,7 @@ - confidence_score: 0 - !!omap - id: "MAR10696" - - name: "Exchange of TrpHisMet" + - name: "Exchange of Tryptophanyl-Histidyl-Methionine" - metabolites: !!omap - MAM04020e: -1 - lower_bound: -1000 @@ -258289,7 +257974,7 @@ - confidence_score: 0 - !!omap - id: "MAR10697" - - name: "Exchange of TrpIleLys" + - name: "Exchange of Tryptophanyl-Isoleucyl-Lysine" - metabolites: !!omap - MAM04021e: -1 - lower_bound: -1000 @@ -258304,7 +257989,7 @@ - confidence_score: 0 - !!omap - id: "MAR10698" - - name: "Exchange of TrpIleTrp" + - name: "Exchange of Tryptophanyl-Isoleucyl-Tryptophan" - metabolites: !!omap - MAM04022e: -1 - lower_bound: -1000 @@ -258319,7 +258004,7 @@ - confidence_score: 0 - !!omap - id: "MAR10699" - - name: "Exchange of TrpLeuVal" + - name: "Exchange of Tryptophanyl-Leucyl-Valine" - metabolites: !!omap - MAM04023e: -1 - lower_bound: -1000 @@ -258334,7 +258019,7 @@ - confidence_score: 0 - !!omap - id: "MAR10700" - - name: "Exchange of TrpLys" + - name: "Exchange of Tryptophanyl-Lysine" - metabolites: !!omap - MAM04024e: -1 - lower_bound: -1000 @@ -258349,7 +258034,7 @@ - confidence_score: 0 - !!omap - id: "MAR10701" - - name: "Exchange of TrpMetArg" + - name: "Exchange of Tryptophanyl-Methionyl-Arginine" - metabolites: !!omap - MAM04025e: -1 - lower_bound: -1000 @@ -258364,7 +258049,7 @@ - confidence_score: 0 - !!omap - id: "MAR10702" - - name: "Exchange of TrpMetVal" + - name: "Exchange of Tryptophanyl-Methionyl-Valine" - metabolites: !!omap - MAM04026e: -1 - lower_bound: -1000 @@ -258379,7 +258064,7 @@ - confidence_score: 0 - !!omap - id: "MAR10703" - - name: "Exchange of TrpPhe" + - name: "Exchange of Tryptophanyl-Phenylalanine" - metabolites: !!omap - MAM04027e: -1 - lower_bound: -1000 @@ -258394,7 +258079,7 @@ - confidence_score: 0 - !!omap - id: "MAR10704" - - name: "Exchange of TrpProGly" + - name: "Exchange of Tryptophanyl-Prolyl-Glycine" - metabolites: !!omap - MAM04028e: -1 - lower_bound: -1000 @@ -258409,7 +258094,7 @@ - confidence_score: 0 - !!omap - id: "MAR10705" - - name: "Exchange of TrpProLeu" + - name: "Exchange of Tryptophanyl-Prolyl-Leucine" - metabolites: !!omap - MAM04029e: -1 - lower_bound: -1000 @@ -258424,7 +258109,7 @@ - confidence_score: 0 - !!omap - id: "MAR10706" - - name: "Exchange of TrpProVal" + - name: "Exchange of Tryptophanyl-Prolyl-Valine" - metabolites: !!omap - MAM04030e: -1 - lower_bound: -1000 @@ -258439,7 +258124,7 @@ - confidence_score: 0 - !!omap - id: "MAR10707" - - name: "Exchange of TrpSerTyr" + - name: "Exchange of Tryptophanyl-Seryl-Tyrosine" - metabolites: !!omap - MAM04031e: -1 - lower_bound: -1000 @@ -258454,7 +258139,7 @@ - confidence_score: 0 - !!omap - id: "MAR10708" - - name: "Exchange of TrpThrGlu" + - name: "Exchange of Tryptophanyl-Threonyl-Glutamate" - metabolites: !!omap - MAM04032e: -1 - lower_bound: -1000 @@ -258469,7 +258154,7 @@ - confidence_score: 0 - !!omap - id: "MAR10709" - - name: "Exchange of TrpThrIle" + - name: "Exchange of Tryptophanyl-Threonyl-Isoleucine" - metabolites: !!omap - MAM04033e: -1 - lower_bound: -1000 @@ -258484,7 +258169,7 @@ - confidence_score: 0 - !!omap - id: "MAR10710" - - name: "Exchange of TrpThrTyr" + - name: "Exchange of Tryptophanyl-Threonyl-Tyrosine" - metabolites: !!omap - MAM04034e: -1 - lower_bound: -1000 @@ -258499,7 +258184,7 @@ - confidence_score: 0 - !!omap - id: "MAR10711" - - name: "Exchange of TrpTyrGln" + - name: "Exchange of Tryptophanyl-Tyrosyl-Glutamine" - metabolites: !!omap - MAM04035e: -1 - lower_bound: -1000 @@ -258514,7 +258199,7 @@ - confidence_score: 0 - !!omap - id: "MAR10712" - - name: "Exchange of TrpTyrTyr" + - name: "Exchange of Tryptophanyl-Tyrosyl-Tyrosine" - metabolites: !!omap - MAM04036e: -1 - lower_bound: -1000 @@ -258529,7 +258214,7 @@ - confidence_score: 0 - !!omap - id: "MAR10713" - - name: "Exchange of TrpValAsp" + - 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8" + - name: "Exchange of Menaquinone-8" - metabolites: !!omap - MAM03775e: -1 - lower_bound: -1000 @@ -271240,7 +270925,7 @@ - confidence_score: 0 - !!omap - id: "MAR11438" - - name: "Exchange of Phenylpyruvate" + - name: "Exchange of phenylpyruvate" - metabolites: !!omap - MAM02725e: -1 - lower_bound: -1000 @@ -271255,7 +270940,7 @@ - confidence_score: 0 - !!omap - id: "MAR11439" - - name: "Exchange of Tyramine" + - name: "Exchange of tyramine" - metabolites: !!omap - MAM03099e: -1 - lower_bound: -1000 @@ -271270,7 +270955,7 @@ - confidence_score: 0 - !!omap - id: "MAR11440" - - name: "2-Hydroxyphenylacetate" + - name: "Exchange of 2-hydroxyphenylacetate" - metabolites: !!omap - MAM00654e: -1 - lower_bound: -1000 @@ -271285,7 +270970,7 @@ - confidence_score: 0 - !!omap - id: "MAR11441" - - name: "Exchange of Lanosterol" + - name: "Exchange of lanosterol" - metabolites: !!omap - MAM02336e: -1 - lower_bound: -1000 @@ -271368,7 +271053,7 @@ - confidence_score: 0 - !!omap - id: "MAR11446" - - name: "Exchange of 3-Methoxy-4-Hydroxymandelate" + - name: "Exchange of vanillylmandelate" - metabolites: !!omap - MAM03136e: -1 - lower_bound: -1000 @@ -271399,7 +271084,7 @@ - confidence_score: 0 - !!omap - id: "MAR11448" - - name: "Exchange of Glyoxylate" + - name: "Exchange of glyoxalate" - metabolites: !!omap - MAM02007e: -1 - lower_bound: -1000 @@ -271450,7 +271135,7 @@ - confidence_score: 0 - !!omap - id: "MAR11451" - - name: "Exchange of 2-Methylbutyrylglycine" + - name: "Exchange of 2-methylbutyrylglycine" - metabolites: !!omap - MAM00664e: -1 - lower_bound: -1000 @@ -271501,7 +271186,7 @@ - confidence_score: 0 - !!omap - id: "MAR11454" - - name: "Exchange of 3-Methyl-Crotonyl-Glycine" + - name: "Exchange of 3-methylcrotonoylglycine" - metabolites: !!omap - MAM00825e: -1 - lower_bound: -1000 @@ -271552,7 +271237,7 @@ - confidence_score: 0 - !!omap - id: "MAR11457" - - name: "Exchange of Isovalerylglycine" + - name: "Exchange of isovalerylglycine" - metabolites: 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- name: "Exchange of 5-Hydroxy-Hexanoate" + - name: "Exchange of 5-Hydroxyhexanoic Acid" - metabolites: !!omap - MAM03287e: -1 - lower_bound: -1000 @@ -276043,7 +275728,7 @@ - confidence_score: 0 - !!omap - id: "MAR11732" - - name: "Exchnage of 2-Hydroxy-Glutarate" + - name: "Exchange of 2-Hydroxy-Glutarate" - metabolites: !!omap - MAM03188e: -1 - lower_bound: -1000 @@ -276166,7 +275851,7 @@ - confidence_score: 0 - !!omap - id: "MAR11739" - - name: "Exchange of 7Z, 10Z-Hexadecadienoic Acid" + - name: "Exchange of 7Z,10Z-Hexadecadienoic Acid" - metabolites: !!omap - MAM03981e: -1 - lower_bound: -1000 @@ -276239,7 +275924,7 @@ - confidence_score: 0 - !!omap - id: "MAR11743" - - name: "Exchange of 7, 10, 13-Hexadecatrienoic Acid" + - name: "Exchange of (Z,Z,Z)-7,10,13-Hexadecatrienoic Acid" - metabolites: !!omap - MAM03657e: -1 - lower_bound: -1000 @@ -276385,7 +276070,7 @@ - confidence_score: 0 - !!omap - id: "MAR11751" - - name: "Exchange of Trans, Cis, Cis-2, 11, 14-Eicosatrienoic Acid" + - name: "Exchange of Trans,Cis,Cis-2,11,14-Eicosatrienoic Acid" - metabolites: !!omap - MAM03568e: -1 - lower_bound: -1000 @@ -276458,7 +276143,7 @@ - confidence_score: 0 - !!omap - id: "MAR11755" - - name: "Exchange of 5, 8, 11, 14, 17-Eicosapentenoic Acid" + - name: "Exchange of 5,8,11,14,17-Eicosapentenoic Acid" - metabolites: !!omap - MAM03283e: -1 - lower_bound: -1000 @@ -277645,7 +277330,7 @@ - confidence_score: 0 - !!omap - id: "MAR11818" - - name: "Exchange of Isobutyrylglycine" + - name: "Exchange of isobutyrylglycine" - metabolites: !!omap - MAM02181e: -1 - lower_bound: -1000 @@ -277692,7 +277377,7 @@ - confidence_score: 0 - !!omap - id: "MAR11821" - - name: "Exchange of N-Acetyl-L-Cysteine" + - name: "Exchange of N-acetyl-L-cysteine" - metabolites: !!omap - MAM02534e: -1 - lower_bound: -1000 @@ -277723,7 +277408,7 @@ - confidence_score: 0 - !!omap - id: "MAR11823" - - name: "Exchange of Trans-4-Coumarate" + - name: "Exchange of 4-coumarate" - metabolites: !!omap - MAM00981e: -1 - lower_bound: -1000 @@ -277786,7 +277471,7 @@ - confidence_score: 0 - !!omap - id: "MAR11827" - - name: "Exchange of Succinic Semialdehyde" + - name: "Exchange of succinate semialdehyde" - metabolites: !!omap - MAM02942e: -1 - lower_bound: -1000 @@ -277890,7 +277575,7 @@ - confidence_score: 0 - !!omap - id: "MAR11833" - - name: "Exchange of Succinic Semialdehyde" + - name: "Exchange of ecgonine-methyl ester" - metabolites: !!omap - MAM01767e: -1 - lower_bound: -1000 @@ -277947,7 +277632,7 @@ - confidence_score: 0 - !!omap - id: "MAR11836" - - name: "Exchange of 12 Hydroxy Arachidonic Acid" + - name: "Exchange of 12-hydroxy-arachidonate" - metabolites: !!omap - MAM00324e: -1 - lower_bound: -1000 @@ -278004,7 +277689,7 @@ - confidence_score: 0 - !!omap - id: "MAR11839" - - name: "Exchange of 18 Hydroxy Arachidonic Acid" + - name: "Exchange of 18-hydroxy-arachidonate" - metabolites: !!omap - MAM00428e: -1 - lower_bound: -1000 @@ -278051,7 +277736,7 @@ - confidence_score: 0 - !!omap - id: "MAR11842" - - name: "Exchange of Squalene" + - name: "Exchange of squalene" - metabolites: !!omap - MAM02933e: -1 - lower_bound: -1000 @@ -278134,7 +277819,7 @@ - confidence_score: 0 - !!omap - id: "MAR11847" - - name: "Exchange of 5-Guanidino-2-Oxopentanoic Acid" + - name: "Exchange of 5-guanidino-2-oxopentanoate" - metabolites: !!omap - MAM01101e: -1 - lower_bound: -1000 @@ -278149,7 +277834,7 @@ - confidence_score: 0 - !!omap - id: "MAR11848" - - name: "Exchange of Androst-4-Ene-3, 17-Dione" + - name: "Exchange of 4-androstene-3,17-dione" - metabolites: !!omap - MAM00971e: -1 - lower_bound: -1000 @@ -278185,7 +277870,7 @@ - confidence_score: 0 - !!omap - id: "MAR11850" - - name: "Exchange of 3Beta-Hydroxyandrost-5-En-17-One" + - name: "Exchange of dehydroepiandrosterone" - metabolites: !!omap - MAM01660e: -1 - lower_bound: -1000 @@ -278221,7 +277906,7 @@ - confidence_score: 0 - !!omap - id: "MAR11852" - - name: "Exchange of 16Alpha-Hydroxydehydroepiandrosterone" + - 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id: "MAR11865" - - name: "Exchange of 11-Deoxycortisol" + - name: "Exchange of 11-deoxycortisol" - metabolites: !!omap - MAM00295e: -1 - lower_bound: -1000 @@ -278455,7 +278140,7 @@ - confidence_score: 0 - !!omap - id: "MAR11866" - - name: "Exchange of 11-Deoxycorticosterone" + - name: "Exchange of 11-deoxycorticosterone" - metabolites: !!omap - MAM00294e: -1 - lower_bound: -1000 @@ -278470,7 +278155,7 @@ - confidence_score: 0 - !!omap - id: "MAR11867" - - name: "Exchange of Pregnenolone" + - name: "Exchange of pregnenolone" - metabolites: !!omap - MAM02763e: -1 - lower_bound: -1000 @@ -278485,7 +278170,7 @@ - confidence_score: 0 - !!omap - id: "MAR11868" - - name: "Exchange of Allopregnanolone" + - name: "Exchange of allopregnanolone" - metabolites: !!omap - MAM01314e: -1 - lower_bound: -1000 @@ -278500,7 +278185,7 @@ - confidence_score: 0 - !!omap - id: "MAR11869" - - name: "Exchange of 17Alpha-Hydroxyprogesterone" + - name: "Exchange of 17alpha-hydroxyprogesterone" - metabolites: 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name: "Exchange of N(Tele)-Methylhistaminium" + - name: "Exchange of N-methylhistamine" - metabolites: !!omap - MAM02601e: -1 - lower_bound: -1000 @@ -279480,7 +279165,7 @@ - confidence_score: 0 - !!omap - id: "MAR11932" - - name: "Exchange of Porphobilinogen" + - name: "Exchange of porphobilinogen" - metabolites: !!omap - MAM02756e: -1 - lower_bound: -1000 @@ -279495,7 +279180,7 @@ - confidence_score: 0 - !!omap - id: "MAR11933" - - name: "Exchange of Trimethylenediaminium" + - name: "Exchange of 1,3-diaminopropane" - metabolites: !!omap - MAM00248e: -1 - lower_bound: -1000 @@ -279510,7 +279195,7 @@ - confidence_score: 0 - !!omap - id: "MAR11934" - - name: "Exchange of Methylammonium" + - name: "Exchange of methylamine" - metabolites: !!omap - MAM02473e: -1 - lower_bound: -1000 @@ -279541,7 +279226,7 @@ - confidence_score: 0 - !!omap - id: "MAR11936" - - name: "Exchange of (R)-Propane-1,2-Diol" + - name: "Exchange of propane-1,2-diol" - metabolites: !!omap - MAM02771e: -1 - lower_bound: -1000 @@ -279572,7 +279257,7 @@ - confidence_score: 0 - !!omap - id: "MAR11938" - - name: "Exchange of S-Adenosylmethioninamine" + - name: "Exchange of S-adenosylmethioninamine" - metabolites: !!omap - MAM02870e: -1 - lower_bound: -1000 @@ -279603,7 +279288,7 @@ - confidence_score: 0 - !!omap - id: "MAR11940" - - name: "Exchange of L-Xylulose" + - name: "Exchange of L-xylulose" - metabolites: !!omap - MAM02425e: -1 - lower_bound: -1000 @@ -279634,7 +279319,7 @@ - confidence_score: 0 - !!omap - id: "MAR11942" - - name: "Exchange of Xylu_D" + - name: "Exchange of D-xylulose" - metabolites: !!omap - MAM01759e: -1 - lower_bound: -1000 @@ -279681,7 +279366,7 @@ - confidence_score: 0 - !!omap - id: "MAR11945" - - name: "Exchange of Malonic Dialdehyde" + - name: "Exchange of malonic-dialdehyde" - metabolites: !!omap - MAM02441e: -1 - lower_bound: -1000 @@ -279712,7 +279397,7 @@ - confidence_score: 0 - !!omap - id: "MAR11947" - - name: "Exchange of Sphingosine" + - name: "Exchange of sphingosine" - metabolites: !!omap - MAM02929e: -1 - lower_bound: -1000 @@ -279743,7 +279428,7 @@ - confidence_score: 0 - !!omap - id: "MAR11949" - - name: "Exchange of Trans-Hexadec-2-Enoyl Carnitine" + - name: "Exchange of hexadecenoylcarnitine(9)" - metabolites: !!omap - MAM02117e: -1 - lower_bound: -1000 @@ -279774,7 +279459,7 @@ - confidence_score: 0 - !!omap - id: "MAR11951" - - name: "Exchange of Imidazol-4-Ylacetate" + - name: "Exchange of imidazole-4-acetate" - metabolites: !!omap - MAM02166e: -1 - lower_bound: -1000 @@ -279789,7 +279474,7 @@ - confidence_score: 0 - !!omap - id: "MAR11952" - - name: "Exchange of 5-Hydroxytryptophol" + - name: "Exchange of 5-hydroxytryptophol" - metabolites: !!omap - MAM01110e: -1 - lower_bound: -1000 @@ -279804,7 +279489,7 @@ - confidence_score: 0 - !!omap - id: "MAR11953" - - name: "Exchange of 5,10-Methylenetetrahydrofolate" + - name: "Exchange of 5,10-methylene-THF" - metabolites: !!omap - MAM01045e: -1 - lower_bound: -1000 @@ -279819,7 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selenomethionine" - metabolites: !!omap - MAM02891e: -1 - lower_bound: -1000 @@ -279942,7 +279627,7 @@ - confidence_score: 0 - !!omap - id: "MAR11962" - - name: "Exchange of N(1)-Acetylspermidine" + - name: "Exchange of N1-acetylspermidine" - metabolites: !!omap - MAM02503e: -1 - lower_bound: -1000 @@ -279989,7 +279674,7 @@ - confidence_score: 0 - !!omap - id: "MAR11965" - - name: "Exchange of Calcitriol" + - name: "Exchange of calcitriol" - metabolites: !!omap - MAM01417e: -1 - lower_bound: -1000 @@ -280025,7 +279710,7 @@ - confidence_score: 0 - !!omap - id: "MAR11967" - - name: "Exchange of Pristanic Acid" + - name: "Exchange of pristanic acid" - metabolites: !!omap - MAM02766e: -1 - lower_bound: -1000 @@ -280061,7 +279746,7 @@ - confidence_score: 0 - !!omap - id: "MAR11969" - - name: "Exchange of 12,13-Hydroxyoctadec-9(Z)-Enoate" + - name: "Exchange of 12,13-hydroxyoctadec-9(z)-enoate" - metabolites: !!omap - MAM00314e: -1 - lower_bound: -1000 @@ -280097,7 +279782,7 @@ - confidence_score: 0 - !!omap - id: "MAR11971" - - name: "Exchange of 9,10-Hydroxyoctadec-12(Z)-Enoate" + - name: "Exchange of 9,10-hydroxyoctadec-12(Z)-enoate" - metabolites: !!omap - MAM01220e: -1 - lower_bound: -1000 @@ -280144,7 +279829,7 @@ - confidence_score: 0 - !!omap - id: "MAR11974" - - name: "Exchange of D-Fructose 1,6-Bisphosphate" + - name: "Exchange of fructose-1,6-bisphosphate" - metabolites: !!omap - MAM01841e: -1 - lower_bound: -1000 @@ -280159,7 +279844,7 @@ - confidence_score: 0 - !!omap - id: "MAR11975" - - name: "Exchange of Cocaine" + - name: "Exchange of cocaine" - metabolites: !!omap - MAM01601e: -1 - lower_bound: -1000 @@ -280206,7 +279891,7 @@ - confidence_score: 0 - !!omap - id: "MAR11978" - - name: "Exchange of 5-Amino-2-Oxopentanoic Acid" + - name: "Exchange of 5-amino-2-oxopentanoic acid" - metabolites: !!omap - MAM01073e: -1 - lower_bound: -1000 @@ -280269,7 +279954,7 @@ - confidence_score: 0 - !!omap - id: "MAR11982" - - name: "Exchange of VLDL_Hs" + - name: "Exchange of Very Low Density Lipoprotein" - metabolites: !!omap - MAM04074e: -1 - lower_bound: -1000 @@ -280284,7 +279969,7 @@ - confidence_score: 0 - !!omap - id: "MAR11983" - - name: "Exchange of IDL_Hs" + - name: "Exchange of Intermediate Density Lipoprotein" - metabolites: !!omap - MAM03692e: -1 - lower_bound: -1000 @@ -280299,7 +279984,7 @@ - confidence_score: 0 - !!omap - id: "MAR11984" - - name: "Exchange of LDL_Hs" + - name: "Exchange of Low Density Lipoprotein" - metabolites: !!omap - MAM03710e: -1 - lower_bound: -1000 @@ -280314,7 +279999,7 @@ - confidence_score: 0 - !!omap - id: "MAR11985" - - name: "Exchange of HDL_Hs" + - name: "Exchange of High Density Lipoprotein" - metabolites: !!omap - MAM03647e: -1 - lower_bound: -1000 @@ -280345,7 +280030,7 @@ - confidence_score: 0 - !!omap - id: "MAR11987" - - name: "Exchange of ApoB100" + - name: "Exchange of apoB100" - metabolites: !!omap - MAM01351e: -1 - lower_bound: -1000 @@ -280376,7 +280061,7 @@ - confidence_score: 0 - !!omap - id: "MAR11990" - - name: "Exchange of Apo C1" + - name: "Exchange of apoC1" - metabolites: !!omap - MAM01353e: -1 - lower_bound: -1000 @@ -280407,7 +280092,7 @@ - confidence_score: 0 - !!omap - id: "MAR11993" - - name: "Exchange of Apo C2" + - name: "Exchange of apoC2" - metabolites: !!omap - MAM01354e: -1 - lower_bound: -1000 @@ -280438,7 +280123,7 @@ - confidence_score: 0 - !!omap - id: "MAR11996" - - name: "Exchange of Apo C3" + - name: "Exchange of apoC3" - metabolites: !!omap - MAM01355e: -1 - lower_bound: -1000 @@ -280469,7 +280154,7 @@ - confidence_score: 0 - !!omap - id: "MAR11999" - - name: "Exchange of Apo E" + - name: "Exchange of apoE" - metabolites: !!omap - MAM01359e: -1 - lower_bound: -1000 @@ -280594,7 +280279,7 @@ - confidence_score: 0 - !!omap - id: "MAR12007" - - name: "Exchange of Dopamine 4-O-Sulfate" + - name: "Exchange of Dopamine 4-O-Sulphate" - metabolites: !!omap - MAM03565e: -1 - lower_bound: -1000 @@ -280630,7 +280315,7 @@ - confidence_score: 0 - !!omap - id: "MAR12009" - - name: "Exchange of Dopamine 4-O-Glucuronide" + - name: "Exchange of Dopamine-4-O-Glucuronide" - metabolites: !!omap - MAM03564e: -1 - lower_bound: -1000 @@ -280666,7 +280351,7 @@ - confidence_score: 0 - !!omap - id: "MAR12011" - - name: "Exchange of Dopamine 3-O-Glucuronide" + - name: "Exchange of Dopamine-3-O-Glucuronide" - metabolites: !!omap - MAM03563e: -1 - lower_bound: -1000 @@ -280935,7 +280620,7 @@ - confidence_score: 0 - !!omap - id: "MAR12026" - - name: "Exchange of 4-S-Glutathionyl-5, 6-Dihydroxyindoline" + - name: "Exchange of 4-S-Glutathionyl-5,6-Dihydroxyindoline" - metabolites: !!omap - MAM03270e: -1 - lower_bound: -1000 @@ -281002,7 +280687,7 @@ - confidence_score: 0 - !!omap - id: "MAR12030" - - name: "Exchange of 5-S-Glutathionyl-Dopamine" + - name: "Exchange of 5-S-glutathionyl-dopamine" - metabolites: !!omap - MAM01138e: -1 - lower_bound: -1000 @@ -281033,7 +280718,7 @@ - confidence_score: 0 - !!omap - id: "MAR12032" - - name: "Exchange 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1-Phosphatidyl-1D-Myo-Inositol" + - name: "Exchange of PI pool" - metabolites: !!omap - MAM02750e: -1 - lower_bound: -1000 @@ -282654,7 +282339,7 @@ - confidence_score: 0 - !!omap - id: "MAR12128" - - name: "Exchange of (12S)-12-hydroxyheptadeca-5,8,10-trienoic acid (12S-HHT)" + - name: "Exchange of 12(S)-HHT" - metabolites: !!omap - MAM00308e: -1 - lower_bound: -1000 @@ -282669,7 +282354,7 @@ - confidence_score: 0 - !!omap - id: "MAR12129" - - name: "Exchange of 5-S-Glutathionyl-L-Dopa" + - name: "Exchange of 5-S-glutathionyl-L-dopa" - metabolites: !!omap - MAM01139e: -1 - lower_bound: -1000 @@ -282699,7 +282384,7 @@ - confidence_score: 0 - !!omap - id: "MAR12131" - - name: "Exchange of 5-S-Cysteinyldopa" + - name: "Exchange of 5-S-cysteinyldopa" - metabolites: !!omap - MAM01134e: -1 - lower_bound: -1000 @@ -282729,7 +282414,7 @@ - confidence_score: 0 - !!omap - id: "MAR12133" - - name: "Exchange of Gibberellin A1" + - name: "Exchange of GA1" - metabolites: !!omap - MAM01904e: -1 - 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MAM03207e: -1 - lower_bound: -1000 @@ -284006,7 +283691,7 @@ - confidence_score: 0 - !!omap - id: "MAR12201" - - name: "EX_3dhdchol(e)" + - name: "Exchange of 3-dehydro-Deoxycholate" - metabolites: !!omap - MAM03208e: -1 - lower_bound: -1000 @@ -284021,7 +283706,7 @@ - confidence_score: 0 - !!omap - id: "MAR12202" - - name: "EX_3dhlchol(e)" + - name: "Exchange of 3-dehydro-Lithocholate" - metabolites: !!omap - MAM03209e: -1 - lower_bound: -1000 @@ -284036,7 +283721,7 @@ - confidence_score: 0 - !!omap - id: "MAR12203" - - name: "EX_7dhcdchol(e)" + - name: "Exchange of 7-Dehydrochenodeoxycholic acid; 7oxo-3alpha-hydroxy-5beta-cholan-24-oic acid" - metabolites: !!omap - MAM03310e: -1 - lower_bound: -1000 @@ -284051,7 +283736,7 @@ - confidence_score: 0 - !!omap - id: "MAR12204" - - name: "EX_7dhchol(e)" + - name: "Exchange of 7-Dehydrocholic acid; 7-Oxodeoxycholic acid; 7oxo-3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid" - metabolites: !!omap - MAM03311e: -1 - lower_bound: -1000 @@ 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"MAR12214" - - name: "EX_gcdca3s(e)" + - name: "Exchange of Glycochenodeoxycholic acid 3-sulfate" - metabolites: !!omap - MAM03588e: -1 - lower_bound: -1000 @@ -284216,7 +283901,7 @@ - confidence_score: 0 - !!omap - id: "MAR12215" - - name: "EX_gdca3s(e)" + - name: "Exchange of Glycodeoxycholic acid 3-sulfate" - metabolites: !!omap - MAM03589e: -1 - lower_bound: -1000 @@ -284231,7 +283916,7 @@ - confidence_score: 0 - !!omap - id: "MAR12216" - - name: "EX_gudca3s(e)" + - name: "Exchange of Glycoursodeoxycholic acid 3-sulfate" - metabolites: !!omap - MAM03637e: -1 - lower_bound: -1000 @@ -284246,7 +283931,7 @@ - confidence_score: 0 - !!omap - id: "MAR12217" - - name: "EX_hca24g(e)" + - name: "Exchange of Hyocholic acid-24glucuronide, HCA-24G" - metabolites: !!omap - MAM03642e: -1 - lower_bound: -1000 @@ -284261,7 +283946,7 @@ - confidence_score: 0 - !!omap - id: "MAR12218" - - name: "EX_hca6g(e)" + - name: "Exchange of Hyocholic acid-6glucuronide, HCA-6G" - metabolites: !!omap - MAM03643e: -1 - lower_bound: -1000 @@ -284276,7 +283961,7 @@ - confidence_score: 0 - !!omap - id: "MAR12219" - - name: "EX_hdca24g(e)" + - name: "Exchange of Hyodeoxycholic acid-24glucuronide, HDCA-24G" - metabolites: !!omap - MAM03644e: -1 - lower_bound: -1000 @@ -284291,7 +283976,7 @@ - confidence_score: 0 - !!omap - id: "MAR12220" - - name: "EX_hdca6g(e)" + - name: "Exchange of Hyodeoxycholic acid-6glucuronide, HDCA-6G" - metabolites: !!omap - MAM03645e: -1 - lower_bound: -1000 @@ -284306,7 +283991,7 @@ - confidence_score: 0 - !!omap - id: "MAR12221" - - name: "EX_hyochol(e)" + - name: "Exchange of Hyocholic acid; gamma-Muricholate" - metabolites: !!omap - MAM03685e: -1 - lower_bound: -1000 @@ -284321,7 +284006,7 @@ - confidence_score: 0 - !!omap - id: "MAR12222" - - name: "EX_icdchol(e)" + - name: "Exchange of Isochenodeoxycholic acid; 3beta,7alpha-Dihydroxy-5beta-cholanic acid" - metabolites: !!omap - MAM03691e: -1 - lower_bound: -1000 @@ -284336,7 +284021,7 @@ - confidence_score: 0 - !!omap - id: "MAR12223" - - name: "EX_isochol(e)" + - name: "Exchange of Isochenodeoxycholic acid; 3beta,7alpha,12alpha-Trihydroxy-5beta-cholanic acid" - metabolites: !!omap - MAM03704e: -1 - lower_bound: -1000 @@ -284351,7 +284036,7 @@ - confidence_score: 0 - !!omap - id: "MAR12224" - - name: "EX_lca24g(e)" + - name: "Exchange of Lithocholic acid-24glucuronide, CDCA-24G" - metabolites: !!omap - MAM03707e: -1 - lower_bound: -1000 @@ -284366,7 +284051,7 @@ - confidence_score: 0 - !!omap - id: "MAR12225" - - name: "EX_lca3g(e)" + - name: "Exchange of Lithocholic acid-3glucuronide, CDCA-3G" - metabolites: !!omap - MAM03708e: -1 - lower_bound: -1000 @@ -284381,7 +284066,7 @@ - confidence_score: 0 - !!omap - id: "MAR12226" - - name: "EX_lca3s(e)" + - name: "Exchange of Lithocholic acid 3-sulfate" - metabolites: !!omap - MAM03709e: -1 - lower_bound: -1000 @@ -284396,7 +284081,7 @@ - confidence_score: 0 - !!omap - id: "MAR12227" - - name: "EX_tca3s(e)" + - name: "Exchange of Taurocholic acid 3-sulfate" - metabolites: !!omap - MAM03962e: -1 - lower_bound: -1000 @@ -284411,7 +284096,7 @@ - confidence_score: 0 - !!omap - id: "MAR12228" - - name: "EX_tcdca3s(e)" + - name: "Exchange of Taurochenodeoxycholic acid 3-sulfate" - metabolites: !!omap - MAM03963e: -1 - lower_bound: -1000 @@ -284426,7 +284111,7 @@ - confidence_score: 0 - !!omap - id: "MAR12229" - - name: "EX_tdca3s(e)" + - name: "Exchange of Taurodeoxycholic acid 3-sulfate" - metabolites: !!omap - MAM03965e: -1 - lower_bound: -1000 @@ -284441,7 +284126,7 @@ - confidence_score: 0 - !!omap - id: "MAR12230" - - name: "EX_thyochol(e)" + - name: "Exchange of Taurohyocholic acid; N-(3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine" - metabolites: !!omap - MAM03996e: -1 - lower_bound: -1000 @@ -284456,7 +284141,7 @@ - confidence_score: 0 - !!omap - id: "MAR12231" - - name: "EX_tudca3s(e)" + - name: "Exchange of Tauroursodeoxycholic acid 3-sulfate" - metabolites: !!omap - MAM04042e: -1 - lower_bound: -1000 @@ -284471,7 +284156,7 @@ - confidence_score: 0 - !!omap - id: "MAR12232" - - name: "EX_uchol(e)" + - name: "Exchange of Ursocholic acid; 3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid; 3alpha,7beta,12alpha-Trihydroxy-5beta-cholanic acid; 7beta-Hydroxyisocholic acid; 7-Epicholic acid" - metabolites: !!omap - MAM04057e: -1 - lower_bound: -1000 @@ -284486,7 +284171,7 @@ - confidence_score: 0 - !!omap - id: "MAR12233" - - name: "EX_udca3s(e)" + - name: "Exchange of Ursodeoxycholic acid 3-sulfate" - metabolites: !!omap - MAM04058e: -1 - lower_bound: -1000 @@ -290955,7 +290640,7 @@ - confidence_score: 0 - !!omap - id: "MAR12575" - - name: "exchange reaction for 12-hydroxy tacrolimus in intestinal lumen" + - name: "Exchange of 12-HT or M-VI, 12-hydroxy tacrolimus" - metabolites: !!omap - MAM01817e: -1 - lower_bound: -1000 @@ -290970,7 +290655,7 @@ - confidence_score: 0 - !!omap - id: "MAR12576" - - name: "exchange reaction for 13,31-O-Didesmethyl-tacrolimus in hepatic vein" + - name: "Exchange of 13,31-O-Didesmethyl-tacrolimus" - metabolites: !!omap - MAM01818e: -1 - lower_bound: -1000 @@ -290985,7 +290670,7 @@ - confidence_score: 0 - !!omap - id: "MAR12577" - - name: "exchange reaction for 13-O-desmethyl tacrolimus in intestinal lumen" + - name: "Exchange of 13-O-desmethyl tacrolimus, 13-DMT or M-I" - metabolites: !!omap - MAM01875e: -1 - lower_bound: -1000 @@ -291000,7 +290685,7 @@ - confidence_score: 0 - !!omap - id: "MAR12578" - - name: "exchange reaction for 1,4-Dihydroxy-midazolam in hepatic vein" + - name: "Exchange of 1,4-Dihydroxy-midazolam" - metabolites: !!omap - MAM01888e: -1 - lower_bound: -1000 @@ -291015,7 +290700,7 @@ - confidence_score: 0 - !!omap - id: "MAR12579" - - name: "exchange reaction for 13,15-O-didesmethyl tacrolimus in intestinal lumen" + - name: "Exchange of 13,15-O-didesmethyl tacrolimus" - metabolites: !!omap - MAM01889e: -1 - lower_bound: -1000 @@ -291030,7 +290715,7 @@ - confidence_score: 0 - !!omap - id: "MAR12580" - - name: "exchange reaction for 15, 31-O-Didesmethyl-tacrolimus in hepatic vein" + - name: "Exchange of 15,31-O-Didesmethyl-tacrolimus" - metabolites: !!omap - MAM01890e: -1 - lower_bound: -1000 @@ -291045,7 +290730,7 @@ - confidence_score: 0 - !!omap - id: "MAR12581" - - name: "exchange reaction for 15-O-desmethyl tacrolimus in intestinal lumen" + - name: "Exchange of 15-DMT or M-III, 15-O-desmethyl tacrolimus" - metabolites: !!omap - MAM01891e: -1 - lower_bound: -1000 @@ -291060,7 +290745,7 @@ - confidence_score: 0 - !!omap - id: "MAR12582" - - name: "exchange reaction for 1-hydroxy-ibuprofen in hepatic vein" + - name: "Exchange of 1-hydroxy S-ibuprofen" - metabolites: !!omap - MAM01894e: -1 - lower_bound: -1000 @@ -291075,7 +290760,7 @@ - confidence_score: 0 - !!omap - id: "MAR12583" - - name: "exchange reaction for 1-hydroxy S-ibuprofen-glucuronide in hepatic vein" + - name: "Exchange of 1-hydroxy S-ibuprofen-glucuronide" - metabolites: !!omap - MAM01901e: -1 - lower_bound: -1000 @@ -291090,7 +290775,7 @@ - confidence_score: 0 - !!omap - id: "MAR12584" - - name: "exchange reaction for 1-OH-midazolam-glucuronide in portal blood" + - name: "Exchange of 1'-OH-midazolam-glucuronide" - metabolites: !!omap - MAM01902e: -1 - lower_bound: -1000 @@ -291105,7 +290790,7 @@ - confidence_score: 0 - !!omap - id: "MAR12585" - - name: "exchange reaction for 1-OH-midazolam in portal blood" + - name: "Exchange of 1'-OH-midazolam" - metabolites: !!omap - MAM01903e: -1 - lower_bound: -1000 @@ -291120,7 +290805,7 @@ - confidence_score: 0 - !!omap - id: "MAR12586" - - name: "exchange reaction for 2-hydroxy-atorvastatin-acid in portal blood" + - name: "Exchange of 2-hydroxy-atorvastatin-acid / ortho-hydroxy-atorvastatin acid" - metabolites: !!omap - MAM03177e: -1 - lower_bound: -1000 @@ -291135,7 +290820,7 @@ - confidence_score: 0 - !!omap - id: "MAR12587" - - name: "exchange reaction for 2-hydroxy-atorvastatin-acyl-glucuronide in bile" + - name: "Exchange of 2-hydroxy-atorvastatin-acyl-glucuronide" - metabolites: !!omap - MAM03178e: -1 - lower_bound: -1000 @@ -291150,7 +290835,7 @@ - confidence_score: 0 - !!omap - id: "MAR12588" - - name: "exchange reaction for 2-hydroxy-atorvastatin-lactone in portal blood" + - name: "Exchange of 2-hydroxy-atorvastatin-lactone / ortho-hydroxy-atorvastatin lactone" - metabolites: !!omap - MAM03179e: -1 - lower_bound: -1000 @@ -291165,7 +290850,7 @@ - confidence_score: 0 - !!omap - id: "MAR12589" - - name: "exchange reaction for 2-hydroxy-atorvastatin-lactone-glucuronide in bile" + - name: "Exchange of 2-hydroxy-atorvastatin-lactone-glucuronide" - metabolites: !!omap - MAM03180e: -1 - lower_bound: -1000 @@ -291180,7 +290865,7 @@ - confidence_score: 0 - !!omap - id: "MAR12590" - - name: "exchange reaction for R-2-hydroxy-ibuprofen in hepatic vein" + - name: "Exchange of 2-hydroxy-R-ibuprofen" - metabolites: !!omap - MAM03183e: -1 - lower_bound: -1000 @@ -291195,7 +290880,7 @@ - confidence_score: 0 - !!omap - id: "MAR12591" - - name: "exchange reaction for S-2-hydroxy-ibuprofen in hepatic vein" + - name: "Exchange of 2-hydroxy-S-ibuprofen" - metabolites: !!omap - MAM03184e: -1 - lower_bound: -1000 @@ -291210,7 +290895,7 @@ - confidence_score: 0 - !!omap - id: "MAR12592" - - name: "exchange reaction for 2-hydroxy S-ibuprofen-glucuronide in hepatic vein" + - name: "Exchange of 2-hydroxy S-ibuprofen-glucuronide" - metabolites: !!omap - MAM03185e: -1 - lower_bound: -1000 @@ -291225,7 +290910,7 @@ - confidence_score: 0 - !!omap - id: "MAR12593" - - name: "exchange reaction for 31-O-desmethyl tacrolimus in intestinal lumen" + - name: "Exchange of 31-DMT or M-II, 31-O-desmethyl tacrolimus" - metabolites: !!omap - MAM03196e: -1 - lower_bound: -1000 @@ -291240,7 +290925,7 @@ - confidence_score: 0 - !!omap - id: "MAR12594" - - name: "exchange reaction for 3-alpha-5-beta-dihydroxy pravastatin in portal blood" + - name: "Exchange of 3'-alpha,5'beta-dihydroxy-pravastatin / 3'-alpha5'beta6'beta-trihydroxy pravastatin" - metabolites: !!omap - MAM03198e: -1 - lower_bound: -1000 @@ -291255,7 +290940,7 @@ - confidence_score: 0 - !!omap - id: "MAR12595" - - name: "exchange reaction for 3,5-dihydrodiol-simvastatin-lactone form in bile" + - name: "Exchange of 3',5'-dihydrodiol-simvastatin-lactone form" - metabolites: !!omap - MAM03199e: -1 - lower_bound: -1000 @@ -291270,7 +290955,7 @@ - confidence_score: 0 - !!omap - id: "MAR12596" - - name: "exchange reaction for R-3-hydroxy-ibuprofen in hepatic vein" + - name: "Exchange of 3-hydroxy R-ibuprofen" - metabolites: !!omap - MAM03223e: -1 - lower_bound: -1000 @@ -291285,7 +290970,7 @@ - confidence_score: 0 - !!omap - id: "MAR12597" - - name: "exchange reaction for S-3-hydroxy-ibuprofen in hepatic vein" + - name: "Exchange of 3-hydroxy S-ibuprofen" - metabolites: !!omap - MAM03224e: -1 - lower_bound: -1000 @@ -291300,7 +290985,7 @@ - confidence_score: 0 - !!omap - id: "MAR12598" - - name: "exchange reaction for 3-hydroxy S-ibuprofen-glucuronide in hepatic vein" + - name: "Exchange of 3-hydroxy S-ibuprofen-glucuronide" - metabolites: !!omap - MAM03225e: -1 - lower_bound: -1000 @@ -291315,7 +291000,7 @@ - confidence_score: 0 - !!omap - id: "MAR12599" - - name: "exchange reaction for 3-hydroxy-lovastatin acid form in bile" + - name: "Exchange of 3''-hydroxy-lovastatin acid form" - metabolites: !!omap - MAM03229e: -1 - lower_bound: -1000 @@ -291330,7 +291015,7 @@ - confidence_score: 0 - !!omap - id: "MAR12600" - - name: "exchange reaction for 3-hydroxy pravastatin in portal blood" + - name: "Exchange of 3'-S-hydroxy-pravastatin" - metabolites: !!omap - MAM03235e: -1 - lower_bound: -1000 @@ -291345,7 +291030,7 @@ - confidence_score: 0 - !!omap - id: "MAR12601" - - name: "exchange reaction of 3-S-hydroxy-pravastatin-tetranor in hepatic vein" + - name: "Exchange of 3'-S-hydroxy-pravastatin-tetranor" - metabolites: !!omap - MAM03237e: -1 - lower_bound: -1000 @@ -291360,7 +291045,7 @@ - confidence_score: 0 - !!omap - id: "MAR12602" - - name: "exchange reaction for 3-hydroxy-simvastatin-acid form form in bile" + - name: "Exchange of 3'-hydroxy-simvastatin-acid form" - metabolites: !!omap - MAM03240e: -1 - lower_bound: -1000 @@ -291375,7 +291060,7 @@ - confidence_score: 0 - !!omap - id: "MAR12603" - - name: "exchange reaction for 3-alpha-iso-pravastatin in portal blood" + - name: "Exchange of 3-alpha-iso-pravastatin" - metabolites: !!omap - MAM03241e: -1 - lower_bound: -1000 @@ -291390,7 +291075,7 @@ - confidence_score: 0 - !!omap - id: "MAR12604" - - name: "exchange reaction for 3-OH-acetaminophen in hepatic vein" + - name: "Exchange of 3-hydroxy-acetaminophen" - metabolites: !!omap - MAM03256e: -1 - lower_bound: -1000 @@ -291405,7 +291090,7 @@ - confidence_score: 0 - !!omap - id: "MAR12605" - - name: "exchange reaction for 4-beta-OH-gliclazide in hepatic vein" + - name: "Exchange of 4-beta-OH-gliclazide" - metabolites: !!omap - MAM03269e: -1 - lower_bound: -1000 @@ -291420,7 +291105,7 @@ - confidence_score: 0 - !!omap - id: "MAR12606" - - name: "exchange reaction for 4-hydroxy-atorvastatin-acid in portal blood" + - name: "Exchange of 4-hydroxy-atorvastatin-acid / para-hydroxy-atorvastatin acid" - metabolites: !!omap - MAM03271e: -1 - lower_bound: -1000 @@ -291435,7 +291120,7 @@ - confidence_score: 0 - !!omap - id: "MAR12607" - - name: "exchange reaction for 4-hydroxy-atorvastatin-lactone in portal blood" + - name: "Exchange of 4-hydroxy-atorvastatin-lactone / para-hydroxy-atorvastatin lactone" - metabolites: !!omap - MAM03272e: -1 - lower_bound: -1000 @@ -291450,7 +291135,7 @@ - confidence_score: 0 - !!omap - id: "MAR12608" - - name: "exchange reaction for 4-OH-midazolam-glucuronide in hepatic vein" + - name: "Exchange of 4-OH-midazolam-glucuronide" - metabolites: !!omap - MAM03275e: -1 - lower_bound: -1000 @@ -291465,7 +291150,7 @@ - confidence_score: 0 - !!omap - id: "MAR12609" - - name: "exchange reaction for 4-OH-midazolam in hepatic vein" + - name: "Exchange of 4-OH-midazolam" - metabolites: !!omap - MAM03278e: -1 - lower_bound: -1000 @@ -291480,7 +291165,7 @@ - confidence_score: 0 - !!omap - id: "MAR12610" - - name: "exchange reaction of 3-keto-5,6,-dihydroxy-pravastatin in hepatic vein" + - name: "Exchange of 3-keto-5,6,-dihydroxy-pravastatin" - metabolites: !!omap - MAM03279e: -1 - lower_bound: -1000 @@ -291495,7 +291180,7 @@ - confidence_score: 0 - !!omap - id: "MAR12611" - - name: "exchange reaction of 5,6-epoxy-3-alpha-iso-pravastatin in hepatic vein" + - name: "Exchange of 5,6-epoxy-3-alpha-iso-pravastatin" - metabolites: !!omap - MAM03280e: -1 - lower_bound: -1000 @@ -291510,7 +291195,7 @@ - confidence_score: 0 - !!omap - id: "MAR12612" - - name: "exchnage reaction for 5-hydroxy-fluvastatin in bile" + - name: "Exchange of 5-hydroxy-fluvastatin" - metabolites: !!omap - MAM03285e: -1 - lower_bound: -1000 @@ -291525,7 +291210,7 @@ - confidence_score: 0 - !!omap - id: "MAR12613" - - name: "exchnage reaction for 5-hydroxy-fluvastatin-glucuronide in hepatic vein" + - name: "Exchange of 5-hydroxy-fluvastatin-glucuronide" - metabolites: !!omap - MAM03286e: -1 - lower_bound: -1000 @@ -291540,7 +291225,7 @@ - confidence_score: 0 - !!omap - id: "MAR12614" - - name: "exchange reaction for 6-alpha-OH-gliclazide in hepatic vein" + - name: "Exchange of 6-alpha-OH-gliclazide" - metabolites: !!omap - MAM03289e: -1 - lower_bound: -1000 @@ -291555,7 +291240,7 @@ - confidence_score: 0 - !!omap - id: "MAR12615" - - name: "exchange reaction for 6-beta-OH-gliclazide in hepatic vein" + - name: "Exchange of 6-beta-OH-gliclazide" - metabolites: !!omap - MAM03290e: -1 - lower_bound: -1000 @@ -291570,7 +291255,7 @@ - confidence_score: 0 - !!omap - id: "MAR12616" - - name: "exchange reaction for 6-beta-OH-gliclazide-glucuronide in hepatic vein" + - name: "Exchange of 6-beta-OH-gliclazide-glucuronide" - metabolites: !!omap - MAM03291e: -1 - lower_bound: -1000 @@ -291585,7 +291270,7 @@ - confidence_score: 0 - !!omap - id: "MAR12617" - - name: "exchange reaction for 6-beta-carboxy-simvastatin-acid form in bile" + - name: "Exchange of 6'-beta-carboxy-simvastatin-acid form" - metabolites: !!omap - MAM03293e: -1 - lower_bound: -1000 @@ -291600,7 +291285,7 @@ - confidence_score: 0 - !!omap - id: "MAR12618" - - name: "exchange reaction for 6-epi-pravastatin in portal blood" + - name: "Exchange of 6-epipravastatin" - metabolites: !!omap - MAM03294e: -1 - lower_bound: -1000 @@ -291615,7 +291300,7 @@ - confidence_score: 0 - !!omap - id: "MAR12619" - - name: "exchange reaction for 6-beta-hydroxy-lovastatin in portal blood" + - name: "Exchange of 6'-beta-hydroxy-lovastatin lactone form" - metabolites: !!omap - MAM03296e: -1 - lower_bound: -1000 @@ -291630,7 +291315,7 @@ - confidence_score: 0 - !!omap - id: "MAR12620" - - name: "exchange reaction for6-beta-hydroxy-methyl-simvastatin-acid form in bile" + - name: "Exchange of 6'-beta-hydroxy-methyl-simvastatin-acid form" - metabolites: !!omap - MAM03299e: -1 - lower_bound: -1000 @@ -291645,7 +291330,7 @@ - confidence_score: 0 - !!omap - id: "MAR12621" - - name: "exchange reaction for 6-beta-hydroxy simvastatin acid in bile" + - name: "Exchange of 6'-beta-hydroxy simvastatin acid" - metabolites: !!omap - MAM03301e: -1 - lower_bound: -1000 @@ -291660,7 +291345,7 @@ - confidence_score: 0 - !!omap - id: "MAR12622" - - name: "exchange reaction for 6-exomethylene-lovastatin-acid form in bile" + - name: "Exchange of 6'-exomethylene-lovastatin-acid form" - metabolites: !!omap - MAM03302e: -1 - lower_bound: -1000 @@ -291675,7 +291360,7 @@ - confidence_score: 0 - !!omap - id: "MAR12623" - - name: "exchange reaction for 6-exomethylene-lovastatin in portal blood" + - name: "Exchange of 6'-exomethylene-lovastatin lactone form" - metabolites: !!omap - MAM03303e: -1 - lower_bound: -1000 @@ -291690,7 +291375,7 @@ - confidence_score: 0 - !!omap - id: "MAR12624" - - name: "exchnage reaction for 6-hydroxy-fluvastatin in bile" + - name: "Exchange of 6-hydroxy-fluvastatin" - metabolites: !!omap - MAM03305e: -1 - lower_bound: -1000 @@ -291705,7 +291390,7 @@ - confidence_score: 0 - !!omap - id: "MAR12625" - - name: "exchange reaction for 6-hydroxy-fluvastatin-glucuronide in hepatic vein" + - name: "Exchange of 6-hydroxy-fluvastatin-glucuronide" - metabolites: !!omap - MAM03306e: -1 - lower_bound: -1000 @@ -291720,7 +291405,7 @@ - confidence_score: 0 - !!omap - id: "MAR12626" - - name: "exchange reaction for 7-alpha-OH-gliclazide in hepatic vein" + - name: "Exchange of 7-alpha-OH-gliclazide" - metabolites: !!omap - MAM03307e: -1 - lower_bound: -1000 @@ -291735,7 +291420,7 @@ - confidence_score: 0 - !!omap - id: "MAR12627" - - name: "exchange reaction for 7-beta-OH-gliclazide in hepatic vein" + - name: "Exchange of 7-beta-OH-gliclazide" - metabolites: !!omap - MAM03308e: -1 - lower_bound: -1000 @@ -291750,7 +291435,7 @@ - confidence_score: 0 - !!omap - id: "MAR12628" - - name: "exchange reaction for 7-beta-OH-gliclazide-glucuronide in hepatic vein" + - name: "Exchange of 7-beta-OH-gliclazide-glucuronide" - metabolites: !!omap - MAM03309e: -1 - lower_bound: -1000 @@ -291765,7 +291450,7 @@ - confidence_score: 0 - !!omap - id: "MAR12629" - - name: "exchange reaction of 7-hydroxy-3-alpha-iso-pravastatin in hepatic vein" + - name: "Exchange of 7-hydroxy-3-alpha-iso-pravastatin" - metabolites: !!omap - MAM03312e: -1 - lower_bound: -1000 @@ -291780,7 +291465,7 @@ - confidence_score: 0 - !!omap - id: "MAR12630" - - name: "exchange reaction for acetaminophen in small intestinal lumen" + - name: "Exchange of acetaminophen/paracetamol" - metabolites: !!omap - MAM03402e: -1 - lower_bound: -1000 @@ -291795,7 +291480,7 @@ - confidence_score: 0 - !!omap - id: "MAR12631" - - name: "exchange reaction for acetaminophen-glucuronide-conjugate in portal blood" + - name: "Exchange of Acetaminophen glucuronide" - metabolites: !!omap - MAM03403e: -1 - lower_bound: -1000 @@ -291810,7 +291495,7 @@ - confidence_score: 0 - !!omap - id: "MAR12632" - - name: "exchange reaction for acetaminophen-glutathione-conjugate in intestinal lumen" + - name: "Exchange of acetaminophen-glutathione-conjugate" - metabolites: !!omap - MAM03404e: -1 - lower_bound: -1000 @@ -291825,7 +291510,7 @@ - confidence_score: 0 - !!omap - id: "MAR12633" - - name: "exchange reaction for allopurinol in intestinal lumen" + - name: "Exchange of allopurinol" - metabolites: !!omap - MAM03418e: -1 - lower_bound: -1000 @@ -291840,7 +291525,7 @@ - confidence_score: 0 - !!omap - id: "MAR12634" - - name: "exchange reaction for AM19-cyclosporine in hepatic vein" + - name: "Exchange of AM19 (cyclosporine)" - metabolites: !!omap - MAM03420e: -1 - lower_bound: -1000 @@ -291855,7 +291540,7 @@ - confidence_score: 0 - !!omap - id: "MAR12635" - - name: "exchange reaction for AM1A4N-cyclosporine in bile" + - name: "Exchange of AM1A4N (cyclosporine)" - metabolites: !!omap - MAM03421e: -1 - lower_bound: -1000 @@ -291870,7 +291555,7 @@ - confidence_score: 0 - !!omap - id: "MAR12636" - - name: "exchange reaction for AM1Ac-cyclosporine in hepatic vein" + - name: "Exchange of AM1Ac (cyclosporine)" - metabolites: !!omap - MAM03422e: -1 - lower_bound: -1000 @@ -291885,7 +291570,7 @@ - confidence_score: 0 - !!omap - id: "MAR12637" - - name: "exchange reaction for AM1A (cyclosporine) in portal blood" + - name: "Exchange of AM1A (cyclosporine)" - metabolites: !!omap - MAM03423e: -1 - lower_bound: -1000 @@ -291900,7 +291585,7 @@ - confidence_score: 0 - !!omap - id: "MAR12638" - - name: "exchange reaction for AM1AL (cyclosporine) in portal blood" + - name: "Exchange of AM1AL (cyclosporine)" - metabolites: !!omap - MAM03424e: -1 - lower_bound: -1000 @@ -291915,7 +291600,7 @@ - confidence_score: 0 - !!omap - id: "MAR12639" - - name: "exchange reaction for AM1c4N9-cyclosporine in bile" + - name: "Exchange of AM1c4N9 (cyclosporine)" - metabolites: !!omap - MAM03425e: -1 - lower_bound: -1000 @@ -291930,7 +291615,7 @@ - confidence_score: 0 - !!omap - id: "MAR12640" - - name: "exchange reaction for AM1c9-cyclosporine in hepatic vein" + - name: "Exchange of AM1c9 (cyclosporine)" - metabolites: !!omap - MAM03426e: -1 - lower_bound: -1000 @@ -291945,7 +291630,7 @@ - confidence_score: 0 - !!omap - id: "MAR12641" - - name: "exchange reaction for AM1c-cyclosporine in hepatic vein" + - name: "Exchange of AM1c (cyclosporine)" - metabolites: !!omap - MAM03427e: -1 - lower_bound: -1000 @@ -291960,7 +291645,7 @@ - confidence_score: 0 - !!omap - id: "MAR12642" - - name: "exchange reaction for AM1c-glucuronide in bile" + - name: "Exchange of AM1c-glucuronide (cyclosporine)" - metabolites: !!omap - MAM03428e: -1 - lower_bound: -1000 @@ -291975,7 +291660,7 @@ - confidence_score: 0 - !!omap - id: "MAR12643" - - name: "exchange reaction for AM1 (cyclosporine) in portal blood" + - name: "Exchange of AM1 (cyclosporine)" - metabolites: !!omap - MAM03429e: -1 - lower_bound: -1000 @@ -291990,7 +291675,7 @@ - confidence_score: 0 - !!omap - id: "MAR12644" - - name: "exchange reaction for AM4N9-cyclosporine in hepatic vein" + - name: "Exchange of AM4N9 (cyclosporine)" - metabolites: !!omap - MAM03430e: -1 - lower_bound: -1000 @@ -292005,7 +291690,7 @@ - confidence_score: 0 - !!omap - id: "MAR12645" - - name: "exchange reaction for AM4N (cyclosporine) in portal blood" + - name: "Exchange of AM4N (cyclosporine)" - metabolites: !!omap - MAM03431e: -1 - lower_bound: -1000 @@ -292020,7 +291705,7 @@ - confidence_score: 0 - !!omap - id: "MAR12646" - - name: "exchange reaction for AM9 (cyclosporine) in portal blood" + - name: "Exchange of AM9 (cyclosporine)" - metabolites: !!omap - MAM03432e: -1 - lower_bound: -1000 @@ -292035,7 +291720,7 @@ - confidence_score: 0 - !!omap - id: "MAR12647" - - name: "exchange reaction for atorvastatin in intestinal lumen" + - name: "Exchange of atorvastatin-acid" - metabolites: !!omap - MAM03476e: -1 - lower_bound: -1000 @@ -292050,7 +291735,7 @@ - confidence_score: 0 - !!omap - id: "MAR12648" - - name: "exchange reaction for atorvastatin-lactone in portal blood" + - name: "Exchange of atorvastatin-lactone" - metabolites: !!omap - MAM03479e: -1 - lower_bound: -1000 @@ -292065,7 +291750,7 @@ - confidence_score: 0 - !!omap - id: "MAR12649" - - name: "exchange reaction for R-carboxy ibuprofen in hepatic vein" + - name: "Exchange of R-carboxy ibuprofen" - metabolites: !!omap - MAM03505e: -1 - lower_bound: -1000 @@ -292080,7 +291765,7 @@ - confidence_score: 0 - !!omap - id: "MAR12650" - - name: "exchange reaction for S-carboxy ibuprofen in hepatic vein" + - name: "Exchange of S-carboxy ibuprofen" - metabolites: !!omap - MAM03506e: -1 - lower_bound: -1000 @@ -292095,7 +291780,7 @@ - confidence_score: 0 - !!omap - id: "MAR12651" - - name: "exchange reaction for S-carboxy ibuprofen glucuronide in hepatic vein" + - name: "Exchange of S-carboxy ibuprofen glucuronide" - metabolites: !!omap - MAM03507e: -1 - lower_bound: -1000 @@ -292110,7 +291795,7 @@ - confidence_score: 0 - !!omap - id: "MAR12652" - - name: "exchange reaction for carboxy-gliclazide in hepatic vein" + - name: "Exchange of carboxy-gliclazide" - metabolites: !!omap - MAM03513e: -1 - lower_bound: -1000 @@ -292125,7 +291810,7 @@ - confidence_score: 0 - !!omap - id: "MAR12653" - - name: "exchange reaction for cerivastatin in intestinal lumen" + - name: "Exchange of cerivastatin" - metabolites: !!omap - MAM03514e: -1 - lower_bound: -1000 @@ -292140,7 +291825,7 @@ - confidence_score: 0 - !!omap - id: "MAR12654" - - name: "exchange reaction for cerivastatin-M1 in hepatic vein" + - name: "Exchange of cerivastatin-M1" - metabolites: !!omap - MAM03515e: -1 - lower_bound: -1000 @@ -292155,7 +291840,7 @@ - confidence_score: 0 - !!omap - id: "MAR12655" - - name: "exchange reaction for cerivastatin-M23 in hepatic vein" + - name: "Exchange of cerivastatin-M23" - metabolites: !!omap - MAM03517e: -1 - lower_bound: -1000 @@ -292170,7 +291855,7 @@ - confidence_score: 0 - !!omap - id: "MAR12656" - - name: "exchange reaction for cerivastatin-M24 in hepatic vein" + - name: "Exchange of cerivastatin-M24" - metabolites: !!omap - MAM03518e: -1 - lower_bound: -1000 @@ -292185,7 +291870,7 @@ - confidence_score: 0 - !!omap - id: "MAR12657" - - name: "exchange reaction for cyclosporine in intestinal lumen" + - name: "Exchange of cyclosporine" - metabolites: !!omap - MAM03520e: -1 - lower_bound: -1000 @@ -292200,7 +291885,7 @@ - confidence_score: 0 - !!omap - id: "MAR12658" - - name: "exchange reaction for cyclosporine-sulphate in hepatic vein" + - name: "Exchange of cyclosporine-sulphate" - metabolites: !!omap - MAM03521e: -1 - lower_bound: -1000 @@ -292215,7 +291900,7 @@ - confidence_score: 0 - !!omap - id: "MAR12659" - - name: "exchange reaction for cysteine-conjugate-acetaminophen in hepatic vein" + - name: "Exchange of cysteine-conjugate-acetaminophen" - metabolites: !!omap - MAM03526e: -1 - lower_bound: -1000 @@ -292230,7 +291915,7 @@ - confidence_score: 0 - !!omap - id: "MAR12660" - - name: "exchange reaction for deoxy-fluvastatin-dinor in hepatic vein" + - name: "Exchange of deoxy-fluvastatin-dinor" - metabolites: !!omap - MAM03546e: -1 - lower_bound: -1000 @@ -292245,7 +291930,7 @@ - confidence_score: 0 - !!omap - id: "MAR12661" - - name: "exchange reaction for N-desisopropyl-fluvastatin in bile" + - name: "Exchange of N-desisopropyl-fluvastatin" - metabolites: !!omap - MAM03547e: -1 - lower_bound: -1000 @@ -292260,7 +291945,7 @@ - confidence_score: 0 - !!omap - id: "MAR12662" - - name: "exchange reaction for dehydro-gliclazide in hepatic vein" + - name: "Exchange of dehydro-gliclazide" - metabolites: !!omap - MAM03549e: -1 - lower_bound: -1000 @@ -292275,7 +291960,7 @@ - confidence_score: 0 - !!omap - id: "MAR12663" - - name: "exchange reaction of desacyl dehydro-pravastatin in hepatic vein" + - name: "Exchange of desacyl dehydro-pravastatin" - metabolites: !!omap - MAM03566e: -1 - lower_bound: -1000 @@ -292290,7 +291975,7 @@ - confidence_score: 0 - !!omap - id: "MAR12664" - - name: "exchange reaction for 31-O-Desmethyl,19-Hydroxy,37, 39-Epoxy-tacrolimus in hepatic vein" + - name: "Exchange of 31-O-Desmethyl,19-Hydroxy,37, 39-Epoxy-tacrolimus" - metabolites: !!omap - MAM03572e: -1 - lower_bound: -1000 @@ -292305,7 +291990,7 @@ - confidence_score: 0 - !!omap - id: "MAR12665" - - name: "exchange reaction for fluvastatin in intestinal lumen" + - name: "Exchange of fluvastatin" - metabolites: !!omap - MAM03579e: -1 - lower_bound: -1000 @@ -292320,7 +292005,7 @@ - confidence_score: 0 - !!omap - id: "MAR12666" - - name: "exchange reaction for des-isopropyl-dihydro-fluvastatin-tetranor in hepatic vein" + - name: "Exchange of des-isopropyl-dihydro-fluvastatin-tetranor" - metabolites: !!omap - MAM03582e: -1 - lower_bound: -1000 @@ -292335,7 +292020,7 @@ - confidence_score: 0 - !!omap - id: "MAR12667" - - name: "exchange reaction for des-isopropyl-dihydro-fluvastatin-tetranor-glucuronide in hepatic vein" + - name: "Exchange of des-isopropyl-dihydro-fluvastatin-tetranor-glucuronide" - metabolites: !!omap - MAM03583e: -1 - lower_bound: -1000 @@ -292350,7 +292035,7 @@ - confidence_score: 0 - !!omap - id: "MAR12668" - - name: "exchange reaction for glucuronide-conjugate of 3-methoxy-acetaminophen in hepatic vein" + - name: "Exchange of glucuronide-conjugate of 3-methoxy-acetaminophen" - metabolites: !!omap - MAM03594e: -1 - lower_bound: -1000 @@ -292365,7 +292050,7 @@ - confidence_score: 0 - !!omap - id: "MAR12669" - - name: "exchange reaction for gliclazide in intestinal lumen" + - name: "Exchange of Gliclazide" - metabolites: !!omap - MAM03634e: -1 - lower_bound: -1000 @@ -292380,7 +292065,7 @@ - confidence_score: 0 - !!omap - id: "MAR12670" - - name: "exchange reaction for glucuronide-thiomethyl-acetaminophen conjugate in hepatic vein" + - name: "Exchange of glucuronide-thiomethyl-acetaminophen conjugate" - metabolites: !!omap - MAM03636e: -1 - lower_bound: -1000 @@ -292395,7 +292080,7 @@ - confidence_score: 0 - !!omap - id: "MAR12671" - - name: "exchange reaction for ibuprofen_R in intestinal lumen" + - name: "Exchange of ibuprofen-R" - metabolites: !!omap - MAM03686e: -1 - lower_bound: -1000 @@ -292410,7 +292095,7 @@ - confidence_score: 0 - !!omap - id: "MAR12672" - - name: "exchange reaction for ibuprofen_S in intestinal lumen" + - name: "Exchange of ibuprofen-S" - metabolites: !!omap - MAM03687e: -1 - lower_bound: -1000 @@ -292425,7 +292110,7 @@ - confidence_score: 0 - !!omap - id: "MAR12673" - - name: "exchange reaction for ibuprofen acyl glucuronide in portal blood" + - name: "Exchange of ibuprofen acyl glucuronide" - metabolites: !!omap - MAM03690e: -1 - lower_bound: -1000 @@ -292440,7 +292125,7 @@ - confidence_score: 0 - !!omap - id: "MAR12674" - - name: "exchange reaction for 3-hydroxy-iso-delta-4,5-hydroxy acid form of lovastatin in bile" + - name: "Exchange of 3'-hydroxy-iso-delta-4',5'-hydroxy acid form of lovastatin" - metabolites: !!omap - MAM03705e: -1 - lower_bound: -1000 @@ -292455,7 +292140,7 @@ - confidence_score: 0 - !!omap - id: "MAR12675" - - name: "exchange reaction for Losartan-E3174 in portal blood" + - name: "Exchange of Losartan-E3174/ losartan-M6" - metabolites: !!omap - MAM03728e: -1 - lower_bound: -1000 @@ -292470,7 +292155,7 @@ - confidence_score: 0 - !!omap - id: "MAR12676" - - name: "exchange reaction for losartan in intestinal lumen" + - name: "Exchange of Losartan" - metabolites: !!omap - MAM03729e: -1 - lower_bound: -1000 @@ -292485,7 +292170,7 @@ - confidence_score: 0 - !!omap - id: "MAR12677" - - name: "exchange reaction for Losartan-N1-glucuronide in hepatic vein" + - name: "Exchange of Losartan-N1-glucuronide" - metabolites: !!omap - MAM03730e: -1 - lower_bound: -1000 @@ -292500,7 +292185,7 @@ - confidence_score: 0 - !!omap - id: "MAR12678" - - name: "exchange reaction for Losartan-M1 in hepatic vein" + - name: "Exchange of Losartan-M1" - metabolites: !!omap - MAM03731e: -1 - lower_bound: -1000 @@ -292515,7 +292200,7 @@ - confidence_score: 0 - !!omap - id: "MAR12679" - - name: "exchange reaction for Losartan-M2 in hepatic vein" + - name: "Exchange of Losartan-M2" - metabolites: !!omap - MAM03732e: -1 - lower_bound: -1000 @@ -292530,7 +292215,7 @@ - confidence_score: 0 - !!omap - id: "MAR12680" - - name: "exchange reaction for Losartan-M4 (glucuronide derivative) in hepatic vein" + - name: "Exchange of Losartan-M4 (glucuronide derivative)" - metabolites: !!omap - MAM03733e: -1 - lower_bound: -1000 @@ -292545,7 +292230,7 @@ - confidence_score: 0 - !!omap - id: "MAR12681" - - name: "exchange reaction for Losartan-M5 in hepatic vein" + - name: "Exchange of Losartan-M5" - metabolites: !!omap - MAM03734e: -1 - lower_bound: -1000 @@ -292560,7 +292245,7 @@ - confidence_score: 0 - !!omap - id: "MAR12682" - - name: "exchange reaction for Losartan-N2-glucuronide / Losartan-M7 in portal blood" + - name: "Exchange of Losartan-N2-glucuronide / Losartan-M7" - metabolites: !!omap - MAM03735e: -1 - lower_bound: -1000 @@ -292575,7 +292260,7 @@ - confidence_score: 0 - !!omap - id: "MAR12683" - - name: "exchange reaction for lovastatin in intestinal lumen" + - name: "Exchange of lovastatin lactone form" - metabolites: !!omap - MAM03736e: -1 - lower_bound: -1000 @@ -292590,7 +292275,7 @@ - confidence_score: 0 - !!omap - id: "MAR12684" - - name: "exchange reaction for midazolam in intestinal lumen" + - name: "Exchange of Midazolam" - metabolites: !!omap - MAM03756e: -1 - lower_bound: -1000 @@ -292605,7 +292290,7 @@ - confidence_score: 0 - !!omap - id: "MAR12685" - - name: "exchange reaction for midazolam-glucuronide in hepatic vein" + - name: "Exchange of Midazolam-glucuronide" - metabolites: !!omap - MAM03757e: -1 - lower_bound: -1000 @@ -292620,7 +292305,7 @@ - confidence_score: 0 - !!omap - id: "MAR12686" - - name: "exchange reaction for acetaminophen-mercapturate-conjugate in portal blood" + - name: "Exchange of acetaminophen-mercapturate-conjugate/N-acetyl-cysteine-acetaminophen" - metabolites: !!omap - MAM03759e: -1 - lower_bound: -1000 @@ -292635,7 +292320,7 @@ - confidence_score: 0 - !!omap - id: "MAR12687" - - name: "exchange reaction for Methyl-hydroxy-gliclazide in hepatic vein" + - name: "Exchange of Methyl-hydroxy-gliclazide" - metabolites: !!omap - MAM03770e: -1 - lower_bound: -1000 @@ -292650,7 +292335,7 @@ - confidence_score: 0 - !!omap - id: "MAR12688" - - name: "exchange reaction for N-desmethyl-rosuvastatin in bile" + - name: "Exchange of N-desmethyl-rosuvastatin" - metabolites: !!omap - MAM03780e: -1 - lower_bound: -1000 @@ -292665,7 +292350,7 @@ - confidence_score: 0 - !!omap - id: "MAR12689" - - name: "exchange reaction of acid metabolite of nifedipine in portal vein" + - name: "Exchange of acid metabolite of nifedipine" - metabolites: !!omap - MAM03781e: -1 - lower_bound: -1000 @@ -292680,7 +292365,7 @@ - confidence_score: 0 - !!omap - id: "MAR12690" - - name: "exchange reaction of lactone form of nifedipine in portal vein" + - name: "Exchange of lactone form of nifedipine" - metabolites: !!omap - MAM03782e: -1 - lower_bound: -1000 @@ -292695,7 +292380,7 @@ - confidence_score: 0 - !!omap - id: "MAR12691" - - name: "exchange reaction of nitropyridine metabolite of nifedipine in portal vein" + - name: "Exchange of Nitropyridine metabolite of nifedipine" - metabolites: !!omap - MAM03783e: -1 - lower_bound: -1000 @@ -292710,7 +292395,7 @@ - confidence_score: 0 - !!omap - id: "MAR12692" - - name: "exchange reaction of hydroxy metabolite of nifedipine in portal vein" + - name: "Exchange of hydroxy metabolite of nifedipine" - metabolites: !!omap - MAM03784e: -1 - lower_bound: -1000 @@ -292725,7 +292410,7 @@ - confidence_score: 0 - !!omap - id: "MAR12693" - - name: "exchange reaction for oxypurinol in portal blood" + - name: "Exchange of oxypurinol" - metabolites: !!omap - MAM03801e: -1 - lower_bound: -1000 @@ -292740,7 +292425,7 @@ - confidence_score: 0 - !!omap - id: "MAR12694" - - name: "exchange reaction for oxypurinol-1-riboside in hepatic vein" + - name: "Exchange of oxypurinol-1-riboside" - metabolites: !!omap - MAM03799e: -1 - lower_bound: -1000 @@ -292755,7 +292440,7 @@ - confidence_score: 0 - !!omap - id: "MAR12695" - - name: "exchange reaction for oxypurinol-7-riboside in hepatic vein" + - name: "Exchange of oxypurinol-7-riboside" - metabolites: !!omap - MAM03800e: -1 - lower_bound: -1000 @@ -292770,7 +292455,7 @@ - confidence_score: 0 - !!omap - id: "MAR12696" - - name: "exchnage reaction for des-isoproylpropionic-acid-fluvastatin in hepatic vein" + - name: "Exchange of des-isoproylpropionic-acid-fluvastatin" - metabolites: !!omap - MAM03892e: -1 - lower_bound: -1000 @@ -292785,7 +292470,7 @@ - confidence_score: 0 - !!omap - id: "MAR12697" - - name: "exchange reaction for pitavastatin in intestinal lumen" + - name: "Exchange of pitavastatin" - metabolites: !!omap - MAM03911e: -1 - lower_bound: -1000 @@ -292800,7 +292485,7 @@ - confidence_score: 0 - !!omap - id: "MAR12698" - - name: "exchange reaction for pravastatin-lactone in hepatic vein" + - name: "Exchange of pitavastatin-lactone" - metabolites: !!omap - MAM03913e: -1 - lower_bound: -1000 @@ -292815,7 +292500,7 @@ - confidence_score: 0 - !!omap - id: "MAR12699" - - name: "exchange reaction for pitavastatin-M3 in bile" + - name: "Exchange of pitavastatin-M3" - metabolites: !!omap - MAM03915e: -1 - lower_bound: -1000 @@ -292830,7 +292515,7 @@ - confidence_score: 0 - !!omap - id: "MAR12700" - - name: "exchange reaction for pravastatin in intestinal lumen" + - name: "Exchange of pravastatin" - metabolites: !!omap - MAM03916e: -1 - lower_bound: -1000 @@ -292845,7 +292530,7 @@ - confidence_score: 0 - !!omap - id: "MAR12701" - - name: "exchange reaction of pravastatin glucuronide in hepatic vein" + - name: "Exchange of pravastatin glucuronide" - metabolites: !!omap - MAM03917e: -1 - lower_bound: -1000 @@ -292860,7 +292545,7 @@ - confidence_score: 0 - !!omap - id: "MAR12702" - - name: "exchange reaction for rosuvastatin in intestinal lumen" + - name: "Exchange of rosuvastatin" - metabolites: !!omap - MAM03918e: -1 - lower_bound: -1000 @@ -292875,7 +292560,7 @@ - confidence_score: 0 - !!omap - id: "MAR12703" - - name: "exchange reaction for rosuvastatin-5S-lactone in bile" + - name: "Exchange of rosuvastatin-5S-lactone" - metabolites: !!omap - MAM03920e: -1 - lower_bound: -1000 @@ -292890,7 +292575,7 @@ - confidence_score: 0 - !!omap - id: "MAR12704" - - name: "exchange reaction for sulphate-conjugate-3-methoxy-acetaminophen in hepatic vein" + - name: "Exchange of sulphate-conjugate-3-methoxy-acetaminophen" - metabolites: !!omap - MAM03921e: -1 - lower_bound: -1000 @@ -292905,7 +292590,7 @@ - confidence_score: 0 - !!omap - id: "MAR12705" - - name: "exchange reaction for simvastatin in intestinal lumen" + - name: "Exchange of simvastatin lactone form" - metabolites: !!omap - MAM03934e: -1 - lower_bound: -1000 @@ -292920,7 +292605,7 @@ - confidence_score: 0 - !!omap - id: "MAR12706" - - name: "exchange reaction for simvastatin dihydroxy acid form in hepatic vein" + - name: "Exchange of simvastatin dihydroxy acid form" - metabolites: !!omap - MAM03935e: -1 - lower_bound: -1000 @@ -292935,7 +292620,7 @@ - confidence_score: 0 - !!omap - id: "MAR12707" - - name: "exchange reaction for sulphate-thiomethyl-acetaminophen conjugate in hepatic vein" + - name: "Exchange of sulphate-conjugate of thiomethyl-acetaminophen" - metabolites: !!omap - MAM03952e: -1 - lower_bound: -1000 @@ -292950,7 +292635,7 @@ - confidence_score: 0 - !!omap - id: "MAR12708" - - name: "exchange reaction for acetaminophen-sulphate in hepatic vein" + - name: "Exchange of sulphate-conjugate-acetaminophen" - metabolites: !!omap - MAM03958e: -1 - lower_bound: -1000 @@ -292965,7 +292650,7 @@ - confidence_score: 0 - !!omap - id: "MAR12709" - - name: "exchange reaction for tacrolimus in intestinal lumen" + - name: "Exchange of Tacrolimus" - metabolites: !!omap - MAM03959e: -1 - lower_bound: -1000 @@ -292980,7 +292665,7 @@ - confidence_score: 0 - !!omap - id: "MAR12710" - - name: "exchange reaction for taurine conjugate of S-ibuprofen in hepatic vein" + - name: "Exchange of taurine conjugate of S-ibuprofen" - metabolites: !!omap - MAM03961e: -1 - lower_bound: -1000 @@ -292995,7 +292680,7 @@ - confidence_score: 0 - !!omap - id: "MAR12711" - - name: "exchange reaction for threo-isomer of fluvastain in hepatic vein" + - name: "Exchange of threo-isomer of fluvastain" - metabolites: !!omap - MAM03985e: -1 - lower_bound: -1000 @@ -293010,7 +292695,7 @@ - confidence_score: 0 - !!omap - id: "MAR12712" - - name: "exchange reaction for trans-lactone-fluvastatin in hepatic vein" + - name: "Exchange of trans-lactone-fluvastatin" - metabolites: !!omap - MAM03998e: -1 - lower_bound: -1000 @@ -293025,7 +292710,7 @@ - confidence_score: 0 - !!omap - id: "MAR12713" - - name: "exchange reaction for torasemide in intestinal lumen" + - name: "Exchange of Torasemide" - metabolites: !!omap - MAM04000e: -1 - lower_bound: -1000 @@ -293040,7 +292725,7 @@ - confidence_score: 0 - !!omap - id: "MAR12714" - - name: "exchange reaction for Torasemide-M1 in hepatic vein" + - name: "Exchange of Torasemide-M1" - metabolites: !!omap - MAM04001e: -1 - lower_bound: -1000 @@ -293055,7 +292740,7 @@ - confidence_score: 0 - !!omap - id: "MAR12715" - - name: "exchange reaction for Torasemide-M3 in hepatic vein" + - name: "Exchange of Torasemide-M3" - metabolites: !!omap - MAM04002e: -1 - lower_bound: -1000 @@ -293070,7 +292755,7 @@ - confidence_score: 0 - !!omap - id: "MAR12716" - - name: "exchange reaction for Torasemide-M5 in hepatic vein" + - name: "Exchange of Torasemide-M5" - metabolites: !!omap - MAM04003e: -1 - lower_bound: -1000 @@ -293085,7 +292770,7 @@ - confidence_score: 0 - !!omap - id: "MAR12717" - - name: "exchange reaction of triol metabolite of pravastatin in hepatic vein" + - name: "Exchange of triol metabolite of pravastatin" - metabolites: !!omap - MAM04007e: -1 - lower_bound: -1000 @@ -293100,7 +292785,7 @@ - confidence_score: 0 - !!omap - id: "MAR12718" - - name: "exchange reaction for thiomethyl-sulphoxide-acetaminophen-glucuronide in hepatic vein" + - name: "Exchange of thiomethyl-sulphoxide-acetaminophen-glucuronide" - metabolites: !!omap - MAM04038e: -1 - lower_bound: -1000 @@ -293115,7 +292800,7 @@ - confidence_score: 0 - !!omap - id: "MAR12719" - - name: "exchange reaction for thiomethyl-sulphoxide-acetaminophen-sulphate in hepatic vein" + - name: "Exchange of thiomethyl-sulphoxide-acetaminophen-sulphate" - metabolites: !!omap - MAM04039e: -1 - lower_bound: -1000 @@ -297481,7 +297166,7 @@ - confidence_score: 0 - !!omap - id: "MAR12966" - - name: "EX_lvstacid(e)" + - name: "Exchange of lovastatin-hydroxyacid form" - metabolites: !!omap - MAM03737e: -1 - lower_bound: -1000 @@ -297656,7 +297341,7 @@ - confidence_score: 0 - !!omap - id: "MAR12977" - - name: "EX_ptvstm13(e)" + - name: "Exchange of pitavastatin-M13" - metabolites: !!omap - MAM03914e: -1 - lower_bound: -1000 @@ -298538,7 +298223,7 @@ - confidence_score: 0 - !!omap - id: "MAR13030" - - name: "EX_1a25dhvitd2(e)" + - name: "Exchange of 1-alpha,25-dihydroxyvitamin D2" - metabolites: !!omap - MAM00519e: -1 - lower_bound: -1000 @@ -298553,7 +298238,7 @@ - confidence_score: 0 - !!omap - id: "MAR13031" - - name: "EX_C13856[e]" + - name: "Exchange of 2-arachidonoylglycerol" - metabolites: !!omap - MAM00635e: -1 - lower_bound: -1000 @@ -298568,7 +298253,7 @@ - confidence_score: 0 - !!omap - id: "MAR13032" - - name: "EX_M02956[e]" + - name: "Exchange of TAG-chylomicron pool" - metabolites: !!omap - MAM02956e: -1 - lower_bound: -1000 @@ -298583,7 +298268,7 @@ - confidence_score: 0 - !!omap - id: "MAR13033" - - name: "EX_M00234[e]" + - name: "Exchange of 1,2-diacylglycerol-chylomicron pool" - metabolites: !!omap - MAM00234e: -1 - lower_bound: -1000 @@ -298598,7 +298283,7 @@ - confidence_score: 0 - !!omap - id: "MAR13034" - - name: "EX_M01807[e]" + - name: "Exchange of fatty acid-chylomicron pool" - metabolites: !!omap - MAM01807e: -1 - lower_bound: -1000 @@ -298613,7 +298298,7 @@ - confidence_score: 0 - !!omap - id: "MAR13035" - - name: "EX_M00503[e]" + - name: "Exchange of 1-acylglycerol-chylomicron pool" - metabolites: !!omap - MAM00503e: -1 - lower_bound: -1000 @@ -298628,7 +298313,7 @@ - confidence_score: 0 - !!omap - id: "MAR13036" - - name: "EX_M00241[e]" + - name: "Exchange of 1,2-diacylglycerol-VLDL pool" - metabolites: !!omap - MAM00241e: -1 - lower_bound: -1000 @@ -298643,7 +298328,7 @@ - confidence_score: 0 - !!omap - id: "MAR13037" - - name: "EX_M01820[e]" + - name: "Exchange of fatty acid-VLDL pool" - metabolites: !!omap - MAM01820e: -1 - lower_bound: -1000 @@ -298658,7 +298343,7 @@ - confidence_score: 0 - !!omap - id: "MAR13038" - - name: "EX_M00510[e]" + - name: "Exchange of 1-acylglycerol-VLDL pool" - metabolites: !!omap - MAM00510e: -1 - lower_bound: -1000 @@ -298673,7 +298358,7 @@ - confidence_score: 0 - !!omap - id: "MAR13039" - - name: "EX_M01819[e]" + - name: "Exchange of fatty acid-uptake pool" - metabolites: !!omap - MAM01819e: -1 - lower_bound: -1000 @@ -298688,7 +298373,7 @@ - confidence_score: 0 - !!omap - id: "MAR13040" - - name: "EX_M00003[e]" + - name: "Exchange of (10Z)-heptadecenoic acid" - metabolites: !!omap - MAM00003e: -1 - lower_bound: -1000 @@ -298703,7 +298388,7 @@ - confidence_score: 0 - !!omap - id: "MAR13041" - - name: "EX_M00008[e]" + - name: "Exchange of (11Z,14Z)-eicosadienoic acid" - metabolites: !!omap - MAM00008e: -1 - lower_bound: -1000 @@ -298718,7 +298403,7 @@ - confidence_score: 0 - !!omap - id: "MAR13042" - - name: "EX_M00010[e]" + - name: "Exchange of (11Z,14Z,17Z)-eicosatrienoic acid" - metabolites: !!omap - MAM00010e: -1 - lower_bound: -1000 @@ -298733,7 +298418,7 @@ - confidence_score: 0 - !!omap - id: "MAR13043" - - name: "EX_M00017[e]" + - name: "Exchange of (13Z)-eicosenoic acid" - metabolites: !!omap - MAM00017e: -1 - lower_bound: -1000 @@ -298748,7 +298433,7 @@ - confidence_score: 0 - !!omap - id: "MAR13044" - - name: "EX_M00019[e]" + - name: "Exchange of (13Z)-octadecenoic acid" - metabolites: !!omap - MAM00019e: -1 - lower_bound: -1000 @@ -298763,7 +298448,7 @@ - confidence_score: 0 - !!omap - id: "MAR13045" - - name: "EX_M00021[e]" + - name: "Exchange of (13Z,16Z)-docosadienoic acid" - metabolites: !!omap - MAM00021e: -1 - lower_bound: -1000 @@ -298778,7 +298463,7 @@ - confidence_score: 0 - !!omap - id: "MAR13046" - - name: "EX_M00115[e]" + - name: "Exchange of (7Z)-octadecenoic acid" - metabolites: !!omap - MAM00115e: -1 - lower_bound: -1000 @@ -298793,7 +298478,7 @@ - confidence_score: 0 - !!omap - id: "MAR13047" - - name: "EX_M00117[e]" + - name: "Exchange of (7Z)-tetradecenoic acid" - metabolites: !!omap - MAM00117e: -1 - lower_bound: -1000 @@ -298808,7 +298493,7 @@ - confidence_score: 0 - !!omap - id: "MAR13048" - - name: "EX_M00260[e]" + - name: "Exchange of 10,13,16,19-docosatetraenoic acid" - metabolites: !!omap - MAM00260e: -1 - lower_bound: -1000 @@ -298823,7 +298508,7 @@ - confidence_score: 0 - !!omap - id: "MAR13049" - - name: "EX_M00265[e]" + - name: "Exchange of 10,13,16-docosatriynoic acid" - metabolites: !!omap - MAM00265e: -1 - lower_bound: -1000 @@ -298838,7 +298523,7 @@ - confidence_score: 0 - !!omap - id: "MAR13050" - - name: "EX_M00315[e]" + - name: "Exchange of 12,15,18,21-tetracosatetraenoic acid" - metabolites: !!omap - MAM00315e: -1 - lower_bound: -1000 @@ -298853,7 +298538,7 @@ - confidence_score: 0 - !!omap - id: "MAR13051" - - name: "EX_M00341[e]" + - name: "Exchange of 13,16,19-docosatrienoic acid" - metabolites: !!omap - MAM00341e: -1 - lower_bound: -1000 @@ -298868,7 +298553,7 @@ - confidence_score: 0 - !!omap - id: "MAR13052" - - name: "EX_M01197[e]" + - name: "Exchange of 7-palmitoleic acid" - metabolites: !!omap - MAM01197e: -1 - lower_bound: -1000 @@ -298883,7 +298568,7 @@ - confidence_score: 0 - !!omap - id: "MAR13053" - - name: "EX_M01207[e]" + - name: "Exchange of 8,11-eicosadienoic acid" - metabolites: !!omap - MAM01207e: -1 - lower_bound: -1000 @@ -298898,7 +298583,7 @@ - confidence_score: 0 - !!omap - id: "MAR13054" - - name: "EX_M01235[e]" + - name: "Exchange of 9-eicosenoic acid" - metabolites: !!omap - MAM01235e: -1 - lower_bound: -1000 @@ -298913,7 +298598,7 @@ - confidence_score: 0 - !!omap - id: "MAR13055" - - name: "EX_M01238[e]" + - name: "Exchange of 9-heptadecylenic acid" - metabolites: !!omap - MAM01238e: -1 - lower_bound: -1000 @@ -298928,7 +298613,7 @@ - confidence_score: 0 - !!omap - id: "MAR13056" - - name: "EX_M01582[e]" + - name: "Exchange of cis-cetoleic acid" - metabolites: !!omap - MAM01582e: -1 - lower_bound: -1000 @@ -298943,7 +298628,7 @@ - confidence_score: 0 - !!omap - id: "MAR13057" - - name: "EX_M02053[e]" + - name: "Exchange of heneicosanoic acid" - metabolites: !!omap - MAM02053e: -1 - lower_bound: -1000 @@ -298958,7 +298643,7 @@ - confidence_score: 0 - !!omap - id: "MAR13058" - - name: "EX_M02457[e]" + - name: "Exchange of mead acid" - metabolites: !!omap - MAM02457e: -1 - lower_bound: -1000 @@ -298973,7 +298658,7 @@ - confidence_score: 0 - !!omap - id: "MAR13059" - - name: "EX_M02613[e]" + - name: "Exchange of nonadecylic acid" - metabolites: !!omap - MAM02613e: -1 - lower_bound: -1000 @@ -298988,7 +298673,7 @@ - confidence_score: 0 - !!omap - id: "MAR13060" - - name: "EX_M02745[e]" + - name: "Exchange of physeteric acid" - metabolites: !!omap - MAM02745e: -1 - lower_bound: -1000 @@ -299003,7 +298688,7 @@ - confidence_score: 0 - !!omap - id: "MAR13061" - - name: "EX_M03045[e]" + - name: "Exchange of tricosanoic acid" - metabolites: !!omap - MAM03045e: -1 - lower_bound: -1000 @@ -299018,7 +298703,7 @@ - confidence_score: 0 - !!omap - id: "MAR13062" - - name: "EX_M03051[e]" + - name: "Exchange of tridecylic acid" - metabolites: !!omap - MAM03051e: -1 - lower_bound: -1000 @@ -299033,7 +298718,7 @@ - confidence_score: 0 - !!omap - id: "MAR13063" - - name: "EX_M03153[e]" + - name: "Exchange of ximenic acid" - metabolites: !!omap - MAM03153e: -1 - lower_bound: -1000 @@ -299048,7 +298733,7 @@ - confidence_score: 0 - !!omap - id: "MAR13065" - - name: "EX_HC02080[e]" + - name: "Exchange of bile-PC pool" - metabolites: !!omap - MAM01395e: -1 - lower_bound: -1000 @@ -299063,7 +298748,7 @@ - confidence_score: 0 - !!omap - id: "MAR13067" - - name: "EX_M02837[e]" + - name: "Exchange of retinyl palmitate" - metabolites: !!omap - MAM02837e: -1 - lower_bound: -1000 @@ -299078,7 +298763,7 @@ - confidence_score: 0 - !!omap - id: "MAR13068" - - name: "EX_M02382[e]" + - name: "Exchange of Li+" - metabolites: !!omap - MAM02382e: -1 - lower_bound: -1000 @@ -299093,7 +298778,7 @@ - confidence_score: 0 - !!omap - id: "MAR13069" - - name: "EX_M02035[e]" + - name: "Exchange of guanidine" - metabolites: !!omap - MAM02035e: -1 - lower_bound: -1000 @@ -299108,7 +298793,7 @@ - confidence_score: 0 - !!omap - id: "MAR13070" - - name: "EX_M02467[e]" + - name: "Exchange of metformin" - metabolites: !!omap - MAM02467e: -1 - lower_bound: -1000 @@ -299123,7 +298808,7 @@ - confidence_score: 0 - !!omap - id: "MAR13071" - - name: "EX_M02821[e]" + - name: "Exchange of quinidine" - metabolites: !!omap - MAM02821e: -1 - lower_bound: -1000 @@ -299138,7 +298823,7 @@ - confidence_score: 0 - !!omap - id: "MAR13072" - - name: "EX_mg2[e]" + - name: "Exchange of Mg2+" - metabolites: !!omap - MAM02482e: -1 - lower_bound: -1000 @@ -299153,7 +298838,7 @@ - confidence_score: 0 - !!omap - id: "MAR13073" - - name: "EX_cu2[e]" + - name: "Exchange of Cu2+" - metabolites: !!omap - MAM01624e: -1 - lower_bound: -1000 @@ -299168,7 +298853,7 @@ - confidence_score: 0 - !!omap - id: "MAR13074" - - name: "EX_M01571[e]" + - name: "Exchange of cimetidine" - metabolites: !!omap - MAM01571e: -1 - lower_bound: -1000 @@ -299337,7 +299022,7 @@ - confidence_score: 0 - !!omap - id: "MAR10024" - - name: "" + - name: "Exchange of biomass" - metabolites: !!omap - MAM03971e: -1 - lower_bound: -1000 @@ -300014,7 +299699,7 @@ - confidence_score: 0 - !!omap - id: "MAR10047" - - name: "1,2-diacylglycerol-LD-PC pool exchange" + - name: "Exchange of 1,2-diacylglycerol-LD-PC pool" - metabolites: !!omap - MAM00235e: -1 - lower_bound: -1000 @@ -300221,7 +299906,7 @@ - confidence_score: 0 - !!omap - id: "MAR10060" - - name: "N-formyl-L-glutamate exchange" + - name: "Exchange of N-formyl-L-glutamate" - metabolites: !!omap - MAM10011e: -1 - lower_bound: -1000 @@ -300640,7 +300325,7 @@ - confidence_score: 0 - !!omap - id: "MAR10074" - - name: "" + - name: "Exchange of alpha-muricholic acid" - metabolites: !!omap - MAM10021e: -1 - lower_bound: -1000 @@ -300676,7 +300361,7 @@ - confidence_score: 0 - !!omap - id: "MAR10076" - - name: "" + - name: "Exchange of beta-muricholic acid" - metabolites: !!omap - MAM10022e: -1 - lower_bound: -1000 @@ -300691,7 +300376,7 @@ - confidence_score: 0 - !!omap - id: "MAR10077" - - name: "" + - name: "Exchange of dehydrocholic acid" - metabolites: !!omap - MAM10023e: -1 - lower_bound: -1000 @@ -300706,7 +300391,7 @@ - confidence_score: 0 - !!omap - id: "MAR10078" - - name: "" + - name: "Exchange of tauro-alpha-muricholic acid" - metabolites: !!omap - MAM10024e: -1 - lower_bound: -1000 @@ -300762,7 +300447,7 @@ - confidence_score: 0 - !!omap - id: "MAR10081" - - name: "" + - name: "Exchange of omega-muricholic acid" - metabolites: !!omap - MAM10025e: -1 - lower_bound: -1000 @@ -300798,7 +300483,7 @@ - confidence_score: 0 - !!omap - id: "MAR10083" - - name: "" + - name: "Exchange of taurohyocholic acid" - metabolites: !!omap - MAM10026e: -1 - lower_bound: -1000 @@ -300813,7 +300498,7 @@ - confidence_score: 0 - !!omap - id: "MAR10084" - - name: "" + - name: "Exchange of glycohyocholic acid" - metabolites: !!omap - MAM10027e: -1 - lower_bound: -1000 @@ -300828,7 +300513,7 @@ - confidence_score: 0 - !!omap - id: "MAR10085" - - name: "" + - name: "Exchange of glycohyodeoxycholic acid" - metabolites: !!omap - MAM10028e: -1 - lower_bound: -1000 @@ -300843,7 +300528,7 @@ - confidence_score: 0 - !!omap - id: "MAR10086" - - name: "" + - name: "Exchange of glycodehydrocholic acid" - metabolites: !!omap - MAM10029e: -1 - lower_bound: -1000 @@ -300858,7 +300543,7 @@ - confidence_score: 0 - !!omap - id: "MAR10087" - - name: "" + - name: "Exchange of hyocholic acid" - metabolites: !!omap - MAM10030e: -1 - lower_bound: -1000 @@ -300873,7 +300558,7 @@ - confidence_score: 0 - !!omap - id: "MAR10088" - - name: "" + - name: "Exchange of tauro-omega-muricholic acid" - metabolites: !!omap - MAM10031e: -1 - lower_bound: -1000 @@ -300888,7 +300573,7 @@ - confidence_score: 0 - !!omap - id: "MAR10089" - - name: "" + - name: "Exchange of tauro-beta-muricholic acid" - metabolites: !!omap - MAM10032e: -1 - lower_bound: -1000 @@ -300903,7 +300588,7 @@ - confidence_score: 0 - !!omap - id: "MAR10090" - - name: "" + - name: "Exchange of murideoxycholic acid" - metabolites: !!omap - MAM10033e: -1 - lower_bound: -1000 @@ -300918,7 +300603,7 @@ - confidence_score: 0 - !!omap - id: "MAR10091" - - name: "" + - name: "Exchange of taurodehydrocholic acid" - metabolites: !!omap - MAM10034e: -1 - lower_bound: -1000 @@ -301714,7 +301399,7 @@ - confidence_score: 0 - !!omap - id: "MAR10132" - - name: "" + - name: "Exchange of tauro-hyodeoxycholic acid" - metabolites: !!omap - MAM10041e: -1 - lower_bound: -1000 @@ -312295,9 +311980,6 @@ - !!omap - id: "ENSG00000182551" - name: "ADI1" - - !!omap - - id: "ENSG00000182591" - - name: "KRTAP11-1" - !!omap - id: "ENSG00000182601" - name: "HS3ST4" diff --git a/model/genes.tsv b/model/genes.tsv index 8ed13e63..03a06fe3 100644 --- a/model/genes.tsv +++ b/model/genes.tsv @@ -2431,7 +2431,6 @@ genes geneENSTID geneENSPID geneUniProtID geneSymbols geneEntrezID geneNames gen "ENSG00000182333" "ENST00000394375;ENST00000608620;ENST00000609378;ENST00000238983;ENST00000355843;ENST00000496797" "ENSP00000377900;ENSP00000477140;ENSP00000238983;ENSP00000348101" "P07098" "LIPF" "8513" "lipase F, gastric type" "HGL;HLAL" "Extracellular;Lysosome" "DeepLoc2" "ENSG00000182415" "ENST00000250838" "ENSP00000250838" "Q9Y6F7" "CDY2A" "9426" "chromodomain Y-linked 2A" "CDY2" "Nucleus" "DeepLoc2" "ENSG00000182551" "ENST00000327435;ENST00000382093;ENST00000415131" "ENSP00000333666;ENSP00000371525;ENSP00000410178" "Q9BV57" "ADI1" "55256" "acireductone dioxygenase 1" "APL1;ARD;FLJ10913;HMFT1638;MTCBP-1;mtnD;SIPL" "Golgi apparatus;Nucleus;Cytosol" "SwissProt;CellAtlas" -"ENSG00000182591" "ENST00000332378" "ENSP00000330720" "Q8IUC1" "KRTAP11-1" "337880" "keratin associated protein 11-1" "KAP11.1" "Cytosol" "DeepLoc2" "ENSG00000182601" "ENST00000331351;ENST00000475436" "ENSP00000330606" "Q9Y661" "HS3ST4" "9951" "heparan sulfate-glucosamine 3-sulfotransferase 4" "3OST4" "Golgi apparatus" "DeepLoc2" "ENSG00000182621" "ENST00000637919;ENST00000625874;ENST00000630495;ENST00000378641;ENST00000338037;ENST00000629992;ENST00000636319;ENST00000626161;ENST00000404098;ENST00000378637;ENST00000630757;ENST00000637204;ENST00000636825;ENST00000635830;ENST00000636784;ENST00000626114;ENST00000628900;ENST00000626966;ENST00000637000;ENST00000635850;ENST00000475958;ENST00000487210;ENST00000494924;ENST00000636711;ENST00000439627;ENST00000628239;ENST00000635929;ENST00000437439;ENST00000637422;ENST00000637935;ENST00000637254;ENST00000637273;ENST00000617005;ENST00000612075" "ENSP00000490862;ENSP00000486301;ENSP00000486655;ENSP00000367908;ENSP00000338185;ENSP00000486531;ENSP00000490455;ENSP00000384001;ENSP00000367904;ENSP00000490771;ENSP00000487075;ENSP00000486428;ENSP00000431704;ENSP00000391162;ENSP00000487544;ENSP00000490792;ENSP00000389911;ENSP00000489643;ENSP00000490641;ENSP00000477664;ENSP00000479997" "Q9NQ66" "PLCB1" "23236" "phospholipase C beta 1" "KIAA0581;PLC-I;PLC154" "Cytosol;Nucleus" "SwissProt" "ENSG00000182670" "ENST00000492275;ENST00000418766;ENST00000485402;ENST00000450533;ENST00000438055;ENST00000463216;ENST00000481605;ENST00000494243;ENST00000540756;ENST00000399010;ENST00000399017;ENST00000484047;ENST00000354749;ENST00000479930;ENST00000460328;ENST00000491952;ENST00000476784;ENST00000414818;ENST00000411496;ENST00000487711;ENST00000472398;ENST00000469939;ENST00000428693;ENST00000488522;ENST00000355666" "ENSP00000403943;ENSP00000408456;ENSP00000391891;ENSP00000442875;ENSP00000381974;ENSP00000381981;ENSP00000346791;ENSP00000414658;ENSP00000387880;ENSP00000393681;ENSP00000347889" "P53804" "TTC3" "7267" "tetratricopeptide repeat domain 3" "DCRR1;RNF105;TPRD;TPRDI;TPRDII;TPRDIII" "Golgi apparatus;Nucleus;Cytosol" "SwissProt;CellAtlas" diff --git a/model/metabolites.tsv b/model/metabolites.tsv index b3ed31cc..7c6f6277 100644 --- a/model/metabolites.tsv +++ b/model/metabolites.tsv @@ -137,7 +137,7 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa "MAM00069m" "MAM00069" "" "" "" "" "" "" "" "" "M00069" "" "m00069m" "m00069m" "MAM00070c" "MAM00070" "" "" "" "" "" "" "" "" "M00070" "" "m00070c" "m00070c" "MAM00071m" "MAM00071" "" "" "" "CHEBI:77548" "" "" "" "" "M00071" "MNXM170117" "m00071m" "m00071m" -"MAM00072m" "MAM00072" "" "" "" "" "" "" "CE2441" "" "CE2441" "" "m00072m" "m00072m" +"MAM00072m" "MAM00072" "hexdectecoa" "" "" "" "" "" "CE2441" "" "CE2441;hexdectecoa" "" "m00072m" "m00072m;hexdectecoa_m;MAM03653m" "MAM00072x" "MAM00072" "" "" "" "" "" "" "CE2441" "" "CE2441" "" "m00072p" "m00072p" "MAM00073m" "MAM00073" "" "" "" "" "" "" "CE2437" "" "CE2437" "" "m00073m" "m00073m" "MAM00073x" "MAM00073" "" "" "" "" "" "" "CE2437" "" "CE2437" "" "m00073p" "m00073p" @@ -159,10 +159,10 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa "MAM00087c" "MAM00087" "" "" "" "" "" "" "CE4840" "" "CE4840" "MNXM163965" "m00087c" "m00087c" "MAM00088m" "MAM00088" "dd3coa" "C02944" "" "CHEBI:27989" "16061154" "LMFA07050009" "" "HC01022" "dd3coa" "MNXM14550" "m00088m" "m00088m" "MAM00088x" "MAM00088" "dd3coa" "C02944" "" "CHEBI:27989" "16061154" "LMFA07050009" "" "HC01022" "dd3coa" "MNXM14550" "m00088p" "m00088p" -"MAM00089m" "MAM00089" "" "" "" "" "" "" "CE2442" "" "CE2442" "" "m00089m" "m00089m" +"MAM00089m" "MAM00089" "3hexdtricoa" "" "" "" "" "" "CE2442" "" "CE2442;3hexdtricoa" "" "m00089m" "m00089m;3hexdtricoa_m;MAM03221m" "MAM00089x" "MAM00089" "" "" "" "" "" "" "CE2442" "" "CE2442" "" "m00089p" "m00089p" "MAM00090x" "MAM00090" "" "" "" "" "53481434" "" "CE5938" "" "CE5938" "MNXM31216" "m00090p" "m00090p" -"MAM00091m" "MAM00091" "" "" "" "" "" "" "CE2440" "" "CE2440" "" "m00091m" "m00091m" +"MAM00091m" "MAM00091" "4hexdtricoa" "" "" "" "" "" "CE2440" "" "CE2440;4hexdtricoa" "" "m00091m" "m00091m;4hexdtricoa_m'MAM03274m" "MAM00091x" "MAM00091" "" "" "" "" "" "" "CE2440" "" "CE2440" "" "m00091p" "m00091p" "MAM00092c" "MAM00092" "dcsptn1crn" "" "" "" "" "" "" "" "dcsptn1crn" "MNXM8558" "m00092c" "m00092c" "MAM00092m" "MAM00092" "dcsptn1crn" "" "" "" "" "" "" "" "dcsptn1crn" "MNXM8558" "m00092m" "m00092m" @@ -2556,11 +2556,11 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa "MAM01573x" "MAM01573" "" "" "" "" "" "" "" "" "M01573" "" "m01573p" "m01573p" "MAM01574m" "MAM01574" "" "" "" "" "" "" "CE1102" "HC11102" "CE1102" "MNXM167439" "m01574m" "m01574m" "MAM01574x" "MAM01574" "" "" "" "" "" "" "CE1102" "HC11102" "CE1102" "MNXM167439" "m01574p" "m01574p" -"MAM01575m" "MAM01575" "" "C05280" "HMDB0003952" "CHEBI:28002" "5280771" "" "" "" "C05280" "MNXM2008" "m01575m" "m01575m" +"MAM01575m" "MAM01575" "3ddecdicoa" "C05280" "HMDB0003952" "CHEBI:28002" "5280771" "" "" "" "C05280;3ddecdicoa" "MNXM2008" "m01575m" "m01575m;3ddecdicoa;MAM03203m" "MAM01575x" "MAM01575" "" "C05280" "HMDB0003952" "CHEBI:28002" "5280771" "" "" "" "C05280" "MNXM2008" "m01575p" "m01575p" -"MAM01576m" "MAM01576" "" "" "" "" "21252281" "" "CE0785" "" "CE0785" "" "m01576m" "m01576m" +"MAM01576m" "MAM01576" "tetdecdicoa" "" "" "" "21252281" "" "CE0785" "" "CE0785;tetdecdicoa" "" "m01576m" "m01576m;tetdecdicoa_m;MAM03978m" "MAM01576x" "MAM01576" "" "" "" "" "21252281" "" "CE0785" "" "CE0785" "" "m01576p" "m01576p" -"MAM01577m" "MAM01577" "" "" "" "" "" "" "CE0849" "" "CE0849" "" "m01577m" "m01577m" +"MAM01577m" "MAM01577" "hexddcoa" "" "" "" "" "" "CE0849" "" "CE0849;hexddcoa" "" "m01577m" "m01577m;hexddcoa_m;MAM03650m" "MAM01577x" "MAM01577" "" "" "" "" "" "" "CE0849" "" "CE0849" "" "m01577p" "m01577p" "MAM01578c" "MAM01578" "2coum" "C05838" "" "CHEBI:47921" "5280841" "" "" "" "2coum" "MNXM3237" "m01578c" "m01578c" "MAM01579m" "MAM01579" "c2m26dcoa" "C11946" "HMDB0006540" "" "53477855" "" "" "" "c2m26dcoa" "MNXM10980" "m01579m" "m01579m" @@ -5211,7 +5211,7 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa "MAM03006c" "MAM03006" "" "" "" "" "" "" "" "" "M03006" "" "m03006c" "m03006c" "MAM03007c" "MAM03007" "" "" "" "" "" "" "CE4842" "" "CE4842" "MNXM165186" "m03007c" "m03007c" "MAM03008c" "MAM03008" "" "" "" "" "" "" "" "" "M03008" "" "m03008c" "m03008c" -"MAM03009m" "MAM03009" "" "" "" "" "" "" "CE2433" "" "CE2433" "" "m03009m" "m03009m" +"MAM03009m" "MAM03009" "2hexdtricoa" "" "" "" "" "" "CE2433" "" "CE2433;2hexdtricoa" "" "m03009m" "m03009m;2hexdtricoa_m;MAM03182m" "MAM03009x" "MAM03009" "" "" "" "" "" "" "CE2433" "" "CE2433" "" "m03009p" "m03009p" "MAM03010m" "MAM03010" "" "" "" "" "" "" "CE2434" "" "CE2434" "" "m03010m" "m03010m" "MAM03010x" "MAM03010" "" "" "" "" "" "" "CE2434" "" "CE2434" "" "m03010p" "m03010p" @@ -5235,7 +5235,7 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa "MAM03019x" "MAM03019" "" "" "" "CHEBI:87717" "" "" "" "" "M03019" "" "m03019p" "m03019p" "MAM03020m" "MAM03020" "" "" "" "CHEBI:77549" "" "" "CE2591" "HC12591" "CE2591" "MNXM683714" "m03020m" "m03020m" "MAM03020x" "MAM03020" "" "" "" "CHEBI:77549" "" "" "CE2591" "HC12591" "CE2591" "MNXM683714" "m03020p" "m03020p" -"MAM03021m" "MAM03021" "" "C05279" "HMDB0011123" "CHEBI:28387" "5280770" "" "" "" "C05279" "MNXM2039" "m03021m" "m03021m" +"MAM03021m" "MAM03021" "2ddecdicoa" "C05279" "HMDB0011123" "CHEBI:28387" "5280770" "" "" "" "C05279;2ddecdicoa" "MNXM2039" "m03021m" "m03021m;2ddecdicoa_m;MAM02698m" "MAM03021x" "MAM03021" "" "C05279" "HMDB0011123" "CHEBI:28387" "5280770" "" "" "" "C05279" "MNXM2039" "m03021p" "m03021p" "MAM03022m" "MAM03022" "" "" "" "CHEBI:87701" "" "" "" "" "M03022" "" "m03022m" "m03022m" "MAM03022x" "MAM03022" "" "" "" "CHEBI:87701" "" "" "" "" "M03022" "" "m03022p" "m03022p" @@ -6306,8 +6306,6 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa "MAM03922x" "MAM03922" "sbcoa" "" "" "CHEBI:76317" "" "" "" "" "sbcoa" "MNXM163582" "" "sbcoa_p" "MAM04004x" "MAM04004" "tmuncoa" "" "" "" "" "" "" "" "tmuncoa" "" "" "tmuncoa_p" "MAM03539m" "MAM03539" "dd5ecoa" "" "" "" "" "" "" "" "dd5ecoa" "" "" "dd5ecoa_m" -"MAM02698m" "MAM02698" "2ddecdicoa" "" "" "" "53480665" "" "" "" "2ddecdicoa" "" "" "2ddecdicoa_m" -"MAM03203m" "MAM03203" "3ddecdicoa" "" "" "" "5280771" "" "" "" "3ddecdicoa" "" "" "3ddecdicoa_m" "MAM02698x" "MAM02698" "2ddecdicoa" "" "" "" "53480665" "" "" "" "2ddecdicoa" "" "" "2ddecdicoa_p" "MAM03203x" "MAM03203" "3ddecdicoa" "" "" "" "5280771" "" "" "" "3ddecdicoa" "" "" "3ddecdicoa_p" "MAM03172m" "MAM03172" "2dodtricoa" "" "" "" "" "" "" "" "2dodtricoa" "" "" "2dodtricoa_m" @@ -6316,23 +6314,17 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa "MAM03211x" "MAM03211" "3dodtricoa" "" "" "" "" "" "" "" "3dodtricoa" "" "" "3dodtricoa_p" "MAM03490x" "MAM03490" "c12dc" "" "" "" "" "" "" "" "c12dc" "" "" "c12dc_p" "MAM03972m" "MAM03972" "tetd7ecoa" "" "" "" "" "" "" "" "tetd7ecoa" "" "" "tetd7ecoa_m" -"MAM03978m" "MAM03978" "tetdecdicoa" "" "" "" "21252281" "" "" "" "tetdecdicoa" "" "" "tetdecdicoa_m" "MAM03978x" "MAM03978" "tetdecdicoa" "" "" "" "21252281" "" "" "" "tetdecdicoa" "" "" "tetdecdicoa_p" "MAM04041m" "MAM04041" "ttetddcoa" "" "" "" "21252281" "" "" "" "ttetddcoa" "" "" "ttetddcoa_m" "MAM03288m" "MAM03288" "5tedtricoa" "" "" "" "" "" "" "" "5tedtricoa" "" "" "5tedtricoa_m" "MAM03288x" "MAM03288" "5tedtricoa" "" "" "" "" "" "" "" "5tedtricoa" "" "" "5tedtricoa_p" "MAM03492x" "MAM03492" "c14dccoa" "" "" "" "" "" "" "" "c14dccoa" "" "" "c14dccoa_p" "MAM03216m" "MAM03216" "3hdeccoa" "" "" "" "" "" "" "" "3hdeccoa" "" "" "3hdeccoa_m" -"MAM03650m" "MAM03650" "hexddcoa" "" "" "" "" "" "" "" "hexddcoa" "" "" "hexddcoa_m" "MAM03982m" "MAM03982" "thexddcoa" "" "" "" "" "" "" "" "thexddcoa" "" "" "thexddcoa_m" "MAM03182x" "MAM03182" "2hexdtricoa" "" "" "" "" "" "" "" "2hexdtricoa" "" "" "2hexdtricoa_p" "MAM03658m" "MAM03658" "hexdtrcoa" "" "" "" "" "" "" "" "hexdtrcoa" "" "" "hexdtrcoa_m" -"MAM03274m" "MAM03274" "4hexdtricoa" "" "" "" "" "" "" "" "4hexdtricoa" "" "" "4hexdtricoa_m" -"MAM03653m" "MAM03653" "hexdectecoa" "" "" "" "" "" "" "" "hexdectecoa" "" "" "hexdectecoa_m" "MAM03274x" "MAM03274" "4hexdtricoa" "" "" "" "" "" "" "" "4hexdtricoa" "" "" "4hexdtricoa_p" "MAM03653x" "MAM03653" "hexdectecoa" "" "" "" "" "" "" "" "hexdectecoa" "" "" "hexdectecoa_p" -"MAM03182m" "MAM03182" "2hexdtricoa" "" "" "" "" "" "" "" "2hexdtricoa" "" "" "2hexdtricoa_m" -"MAM03221m" "MAM03221" "3hexdtricoa" "" "" "" "" "" "" "" "3hexdtricoa" "" "" "3hexdtricoa_m" "MAM03221x" "MAM03221" "3hexdtricoa" "" "" "" "" "" "" "" "3hexdtricoa" "" "" "3hexdtricoa_p" "MAM03181m" "MAM03181" "2hexdtetcoa" "" "" "" "" "" "" "" "2hexdtetcoa" "" "" "2hexdtetcoa_m" "MAM03181x" "MAM03181" "2hexdtetcoa" "" "" "" "" "" "" "" "2hexdtetcoa" "" "" "2hexdtetcoa_p" diff --git a/model/reactions.tsv b/model/reactions.tsv index 942c434f..01d8a9bd 100644 --- a/model/reactions.tsv +++ b/model/reactions.tsv @@ -1779,13 +1779,13 @@ rxns rxnKEGGID rxnBiGGID rxnEHMNID rxnHepatoNET1ID rxnREACTOMEID rxnRecon3DID rx "MAR03448" "" "" "" "" "" "HMR_3448" "" "HMR_3448" "RCR12056" "" 0 "" "" "HMR_3448" "MAR03449" "" "" "RE2986M" "" "" "HMR_3449" "" "HMR_3449" "RCR12057" "" 0 "" "" "HMR_3449" "MAR03450" "" "" "RE2987M" "" "" "HMR_3450" "" "HMR_3450" "RCR12058" "" 0 "" "" "HMR_3450" -"MAR03452" "" "" "RE2997M" "" "" "HMR_3452" "" "HMR_3452" "RCR12060" "" 0 "" "" "HMR_3452" -"MAR03453" "" "" "RE2990M" "" "" "HMR_3453" "" "HMR_3453" "RCR12061" "" 0 "" "" "HMR_3453" -"MAR03454" "" "" "RE2991M" "" "" "HMR_3454" "" "HMR_3454" "RCR12062" "" 0 "" "" "HMR_3454" -"MAR03455" "" "" "RE2989M" "" "" "HMR_3455" "" "HMR_3455" "RCR12063" "" 0 "" "" "HMR_3455" -"MAR03456" "" "" "RE2994M" "" "" "HMR_3456" "" "HMR_3456" "RCR12064" "" 0 "" "" "HMR_3456" -"MAR03457" "" "" "RE2993M" "" "" "HMR_3457" "" "HMR_3457" "RCR12065" "" 0 "" "" "HMR_3457" -"MAR03458" "" "" "RE2992M" "" "" "RE2992M" "" "HMR_3458" "RCR12066" "" 0 "" "" "HMR_3458" +"MAR03452" "" "FAOXC183C163Gm" "RE2997M" "" "" "HMR_3452;FAOXC183C163Gm" "" "HMR_3452" "RCR12060" "" 0 "" "" "HMR_3452;FAOXC183C163Gm;MAR05358" +"MAR03453" "" "FAOXC183C163Gm" "RE2990M" "" "" "HMR_3453;FAOXC183C163Gm" "" "HMR_3453" "RCR12061" "" 0 "" "" "HMR_3453;FAOXC183C163Gm;MAR05358" +"MAR03454" "" "FAOXC183C163Gm" "RE2991M" "" "" "HMR_3454;FAOXC183C163Gm" "" "HMR_3454" "RCR12062" "" 0 "" "" "HMR_3454;FAOXC183C163Gm;MAR05358" +"MAR03455" "" "FAOXC183C163Gm" "RE2989M" "" "" "HMR_3455;FAOXC183C163Gm" "" "HMR_3455" "RCR12063" "" 0 "" "" "HMR_3455;FAOXC183C163Gm;MAR05358" +"MAR03456" "" "FAOXC163C164Gm" "RE2994M" "" "" "HMR_3456;FAOXC163C164Gm;HMR_3422" "" "HMR_3456;HMR_3422" "RCR12064;RCR12667" "" 0 "" "" "HMR_3456;FAOXC163C164Gm;HMR_3422;MAR03422;MAR05195" +"MAR03457" "" "FAOXC164GC163m" "RE2993M" "" "" "HMR_3457;FAOXC164GC163m;HMR_3422" "" "HMR_3457;HMR_3422" "RCR12065;RCR12667" "" 0 "" "" "HMR_3457;FAOXC164GC163m;HMR_3422;MAR03422;MAR05302" +"MAR03458" "" "FAOXC163Gm" "RE2992M" "" "" "RE2992M;FAOXC163Gm;HMR_3422" "" "HMR_3458;HMR_3422" "RCR12066;RCR12667" "" 0 "" "" "HMR_3458;FAOXC163Gm;HMR_3422;MAR03422;MAR05229" "MAR03459" "" "" "RE2985X" "" "" "RE2985X" "" "HMR_3459" "RCR10621" "" 0 "" "" "HMR_3459" "MAR03460" "" "" "RE2995X" "" "" "RE2995X" "" "HMR_3460" "RCR12067" "" 0 "" "" "HMR_3460" "MAR03461" "" "" "RE2996X" "" "" "RE2996X" "" "HMR_3461" "RCR12068" "" 0 "" "" "HMR_3461" @@ -2586,7 +2586,7 @@ rxns rxnKEGGID rxnBiGGID rxnEHMNID rxnHepatoNET1ID rxnREACTOMEID rxnRecon3DID rx "MAR03481" "" "" "" "" "" "SCP21x" "" "HMR_3481" "RCR20503" "" 0 "" "" "HMR_3481" "MAR03482" "R03631" "FAOXC16Brx" "RE3075X" "" "R-HSA-389622" "FAOXC16BRx" "MNXR108311;MNXR99186" "HMR_3482" "RCR12586" "" 0 "" "RHEA:21380" "FAOXC16BRx;HMR_3482;MAR05323" "MAR03484" "R05722" "" "RE3066X" "" "R-HSA-389639" "PHYHx" "MNXR109782" "HMR_3484" "RCR12587" "" 0 "" "RHEA:16065" "HMR_3484" -"MAR03486" "" "" "RE3072X" "" "R-HSA-389611" "HPCLx" "MNXR118525" "HMR_3486" "RCR12588" "" 0 "RHEA:25356" "RHEA:25355" "HMR_3486" +"MAR03486" "" "FAOXC15NADx" "RE3072X" "" "R-HSA-389611" "HPCLx;FAOXC15NADx" "MNXR118525" "HMR_3486" "RCR12588" "" 0 "RHEA:25356" "RHEA:25355" "HMR_3486;FAOXC15NADx;MAR05187" "MAR03491" "" "" "RE2759X" "" "R-HSA-389897" "HMR_3491;RE2759X" "MNXR124916" "HMR_3491" "RCR12591" "" 0 "RHEA:40450" "RHEA:40447" "HMR_3491" "MAR03493" "" "" "RE3079C" "" "R-HSA-389632" "RE3079X" "MNXR103786;MNXR123753" "HMR_3493" "RCR12592" "" 0 "RHEA:47265" "RHEA:47264" "HMR_3493" "MAR03498" "" "" "RE3086X" "" "R-HSA-389889" "RE3086X" "MNXR124340" "HMR_3498" "RCR12593" "" 0 "RHEA:40460" "RHEA:40459" "HMR_3498" @@ -2759,22 +2759,22 @@ rxns rxnKEGGID rxnBiGGID rxnEHMNID rxnHepatoNET1ID rxnREACTOMEID rxnRecon3DID rx "MAR03236" "" "" "" "" "" "HMR_3236" "" "HMR_3236" "RCR12759" "" 0 "" "" "HMR_3236" "MAR03237" "" "" "" "" "" "HMR_3237" "" "HMR_3237" "RCR12760" "" 0 "" "" "HMR_3237" "MAR03239" "R04100" "DCIm" "" "" "" "DCIm" "MNXR97183" "HMR_3239" "RCR12761" "" 0 "RHEA:23719" "RHEA:23716" "HMR_3239" -"MAR03275" "" "" "RE1516M" "" "R-HSA-109339" "RE1516M" "MNXR125224" "HMR_3275" "RCR12762" "" 0 "" "" "HMR_3275" -"MAR03277" "" "" "RE1523M" "" "" "RE1523M" "" "HMR_3277" "RCR12763" "" 0 "" "" "HMR_3277" -"MAR03278" "" "" "RE0512M" "" "" "RE0512M" "" "HMR_3278" "RCR12764" "" 0 "" "" "HMR_3278" -"MAR03279" "" "" "RE1531M" "" "" "RE1531M" "" "HMR_3279" "RCR12765" "" 0 "" "" "HMR_3279" -"MAR03280" "" "" "RE1517M" "" "" "RE1517M" "" "HMR_3280" "RCR12766" "" 0 "" "" "HMR_3280" -"MAR03281" "" "" "RE1522M" "" "" "RE1522M" "" "HMR_3281" "RCR12767" "" 0 "" "" "HMR_3281" -"MAR03282" "" "" "RE1525M" "" "" "RE1525M" "" "HMR_3282" "RCR12768" "" 0 "" "" "HMR_3282" -"MAR03283" "" "" "RE1532M" "" "" "RE1532M" "" "HMR_3283" "RCR12769" "" 0 "" "" "HMR_3283" -"MAR03284" "" "" "RE1518M" "" "" "RE1518M" "" "HMR_3284" "RCR12770" "" 0 "" "" "HMR_3284" -"MAR03285" "" "" "" "" "" "RE1521M" "" "HMR_3285" "RCR12771" "" 0 "" "" "HMR_3285" -"MAR03286" "" "" "" "" "" "RE1526M" "" "HMR_3286" "RCR12772" "" 0 "" "" "HMR_3286" -"MAR03287" "" "" "" "" "" "RE1533M" "" "HMR_3287" "RCR12773" "" 0 "" "" "HMR_3287" -"MAR03288" "R04756" "" "RE1573M" "" "R-HSA-109338" "HMR_3288;RE1573M" "MNXR109096" "HMR_3288" "RCR12774" "" 0 "" "" "HMR_3288" -"MAR03290" "" "" "RE1520M" "" "R-HSA-109342" "RE1520M" "MNXR125225" "HMR_3290" "RCR12775" "" 0 "" "" "HMR_3290" -"MAR03292" "" "" "RE1527M" "" "" "RE1527M" "" "HMR_3292" "RCR12776" "" 0 "" "" "HMR_3292" -"MAR03293" "" "" "RE1534M" "" "" "RE1534M" "" "HMR_3293" "RCR12777" "" 0 "" "" "HMR_3293" +"MAR03275" "" "FAOXC182C162m" "RE1516M" "" "R-HSA-109339" "RE1516M;FAOXC182C162m" "MNXR125224" "HMR_3275" "RCR12762" "" 0 "" "" "HMR_3275;FAOXC182C162m;MAR05356" +"MAR03277" "" "FAOXC182C162m" "RE1523M" "" "" "RE1523M;FAOXC182C162m" "" "HMR_3277" "RCR12763" "" 0 "" "" "HMR_3277;FAOXC182C162m;MAR05356" +"MAR03278" "" "FAOXC182C162m" "RE0512M" "" "" "RE0512M;FAOXC182C162m" "" "HMR_3278" "RCR12764" "" 0 "" "" "HMR_3278;FAOXC182C162m;MAR05356" +"MAR03279" "" "FAOXC182C162m" "RE1531M" "" "" "RE1531M;FAOXC182C162m" "" "HMR_3279" "RCR12765" "" 0 "" "" "HMR_3279;FAOXC182C162m;MAR05356" +"MAR03280" "" "FAOXC162C142m" "RE1517M" "" "" "RE1517M;FAOXC162C142m" "" "HMR_3280" "RCR12766" "" 0 "" "" "HMR_3280;FAOXC162C142m;MAR05191" +"MAR03281" "" "FAOXC163GC142m;FAOXC162C142m" "RE1522M" "" "" "RE1522M;FAOXC163GC142m;HMR_3422;FAOXC162C142m" "" "HMR_3281;HMR_3422" "RCR12767;RCR12667" "" 0 "" "" "HMR_3281;FAOXC163GC142m;HMR_3422;MAR03422;MAR05208;FAOXC162C142m;MAR05191" +"MAR03282" "" "FAOXC163GC142m;FAOXC162C142m" "RE1525M" "" "" "RE1525M;FAOXC163GC142m;HMR_3422;FAOXC162C142m" "" "HMR_3282;HMR_3422" "RCR12768;RCR12667" "" 0 "" "" "HMR_3282;FAOXC163GC142m;HMR_3422;MAR03422;MAR05208;FAOXC162C142m;MAR05191" +"MAR03283" "" "FAOXC163GC142m;FAOXC162C142m" "RE1532M" "" "" "RE1532M;FAOXC163GC142m;HMR_3422;FAOXC162C142m" "" "HMR_3283;HMR_3422" "RCR12769;RCR12667" "" 0 "" "" "HMR_3283;FAOXC163GC142m;HMR_3422;MAR03422;MAR05208;FAOXC162C142m;MAR05191" +"MAR03284" "" "FAOXC142C122m" "RE1518M" "" "" "RE1518M;FAOXC142C122m;HMR_3422" "" "HMR_3284;HMR_3422" "RCR12770;RCR12667" "" 0 "" "" "HMR_3284;FAOXC142C122m;HMR_3422;MAR03422;MAR05123" +"MAR03285" "" "FAOXC142C122m" "" "" "" "RE1521M;FAOXC142C122m;HMR_3422" "" "HMR_3285;HMR_3422" "RCR12771;RCR12667" "" 0 "" "" "HMR_3285;FAOXC142C122m;HMR_3422;MAR03422;MAR05123" +"MAR03286" "" "FAOXC142C122m" "" "" "" "RE1526M;FAOXC142C122m;HMR_3422" "" "HMR_3286;HMR_3422" "RCR12772;RCR12667" "" 0 "" "" "HMR_3286;FAOXC142C122m;HMR_3422;MAR03422;MAR05123" +"MAR03287" "" "FAOXC142C122m" "" "" "" "RE1533M;FAOXC142C122m;HMR_3422" "" "HMR_3287;HMR_3422" "RCR12773;RCR12667" "" 0 "" "" "HMR_3287;FAOXC142C122m;HMR_3422;MAR03422;MAR05123" +"MAR03288" "R04756" "FAOXC122m" "RE1573M" "" "R-HSA-109338" "HMR_3288;RE1573M;FAOXC122m;HMR_3422" "MNXR109096" "HMR_3288;HMR_3422" "RCR12774;RCR12667" "" 0 "" "" "HMR_3288;FAOXC122m;HMR_3422;MAR03422;MAR05075" +"MAR03290" "" "FAOXC122C101m" "RE1520M" "" "R-HSA-109342" "RE1520M;FAOXC122C101m;HMR_3422" "MNXR125225" "HMR_3290;HMR_3422" "RCR12775;RCR12667" "" 0 "" "" "HMR_3290;HMR_3422;MAR03422;MAR05072" +"MAR03292" "" "FAOXC122C101m" "RE1527M" "" "" "RE1527M;FAOXC122C101m;HMR_3422" "" "HMR_3292;HMR_3422" "RCR12776;RCR12667" "" 0 "" "" "HMR_3292;HMR_3422;MAR03422;MAR05072" +"MAR03293" "" "FAOXC122C101m" "RE1534M" "" "" "RE1534M;FAOXC122C101m;HMR_3422" "" "HMR_3293;HMR_3422" "RCR12777;RCR12667" "" 0 "" "" "HMR_3293;FAOXC122C101m;HMR_3422;MAR03422;MAR05072" "MAR03294" "" "" "RE1519M" "" "" "FAOXC101C102m;HMR_3422" "" "HMR_3294;HMR_3422" "RCR12778;RCR12667" "" 0 "" "" "HMR_3294;HMR_3422;MAR03422" "MAR03298" "" "" "RE3628M" "" "R-HSA-109998" "RE3628M;FAOXC101m;HMR_3422" "MNXR118942" "HMR_3298;HMR_3422" "RCR12780;RCR12667" "" 0 "RHEA:45753" "RHEA:45752" "HMR_3298;HMR_3422;MAR03422" "MAR01174" "" "" "RE3383M" "" "" "RE3383M" "" "HMR_1174" "RCR12781" "" 0 "" "" "HMR_1174" @@ -8840,7 +8840,7 @@ rxns rxnKEGGID rxnBiGGID rxnEHMNID rxnHepatoNET1ID rxnREACTOMEID rxnRecon3DID rx "MAR03383" "" "" "" "" "" "RE3045C" "" "" "" "" 0 "" "" "RE3045C" "MAR03384" "" "" "" "" "" "RE3066X" "" "" "" "" 0 "" "" "RE3066X" "MAR03385" "" "" "" "" "" "RE3072X" "" "" "" "" 0 "" "" "RE3072X" -"MAR03386" "" "RE3076X" "" "" "" "RE3073X" "MNXR95747" "" "" "" 0 "" "" "RE3073X" +"MAR03386" "" "RE3076X;FAOXC15NADx" "" "" "" "RE3073X;FAOXC15NADx" "MNXR95747" "" "" "" 0 "" "" "RE3073X;FAOXC15NADx;MAR05187" "MAR03387" "" "RE3074X" "" "" "" "RE3074X" "" "" "" "" 0 "" "" "RE3074X" "MAR03388" "" "RE3075C" "" "" "" "RE3075C" "MNXR103785" "" "" "" 0 "" "" "RE3075C" "MAR03389" "" "" "" "" "" "RE3075X" "" "" "" "" 0 "" "" "RE3075X" @@ -9231,8 +9231,6 @@ rxns rxnKEGGID rxnBiGGID rxnEHMNID rxnHepatoNET1ID rxnREACTOMEID rxnRecon3DID rx "MAR05030" "" "FAOXC11C9m" "" "" "" "FAOXC11C9m" "" "" "" "" 0 "" "" "FAOXC11C9m" "MAR05044" "" "FAOXC121C101m" "" "" "" "FAOXC121C101m" "" "" "" "" 0 "" "" "FAOXC121C101m" "MAR05069" "" "FAOXC121C10x" "" "" "" "FAOXC121C10x" "" "" "" "" 0 "" "" "FAOXC121C10x" -"MAR05072" "" "FAOXC122C101m" "" "" "" "FAOXC122C101m;HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "FAOXC122C101m;HMR_3422;MAR03422" -"MAR05075" "" "FAOXC122m" "" "" "" "FAOXC122m;HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "FAOXC122m;HMR_3422;MAR03422" "MAR05081" "" "FAOXC122x" "" "" "" "FAOXC122x" "" "" "" "" 0 "" "" "FAOXC122x" "MAR05083" "" "FAOXC123C102m;HMR_3426" "" "" "" "FAOXC123C102;HMR_3426m" "" "HMR_3426" "RCR12671" "" 0 "" "" "FAOXC123C102m;HMR_3426;MAR03426" "MAR05086" "" "FAOXC123C102x" "" "" "" "FAOXC123C102x" "" "" "" "" 0 "" "" "FAOXC123C102x" @@ -9250,7 +9248,6 @@ rxns rxnKEGGID rxnBiGGID rxnEHMNID rxnHepatoNET1ID rxnREACTOMEID rxnRecon3DID rx "MAR05111" "" "FAOXC141C121m" "" "" "" "FAOXC141C121m" "" "" "" "" 0 "" "" "FAOXC141C121m" "MAR05119" "" "FAOXC141C121x" "" "" "" "FAOXC141C121x" "" "" "" "" 0 "" "" "FAOXC141C121x" "MAR05120" "" "FAOXC141C141OHm" "" "" "" "FAOXC141C141OHm" "" "" "" "" 0 "" "" "FAOXC141C141OHm" -"MAR05123" "" "FAOXC142C122m" "" "" "" "FAOXC142C122m;HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "FAOXC142C122m;HMR_3422;MAR03422" "MAR05175" "" "FAOXC142C122x" "" "" "" "FAOXC142C122x" "" "" "" "" 0 "" "" "FAOXC142C122x" "MAR05176" "" "FAOXC142C142OHm" "" "" "" "FAOXC142C142OHm" "" "" "" "" 0 "" "" "FAOXC142C142OHm" "MAR05177" "" "FAOXC143C123m;HMR_3426" "" "" "" "FAOXC143C123m;HMR_3426" "" "HMR_3426" "RCR12671" "" 0 "" "" "FAOXC143C123m;HMR_3426;MAR03426" @@ -9262,26 +9259,19 @@ rxns rxnKEGGID rxnBiGGID rxnEHMNID rxnHepatoNET1ID rxnREACTOMEID rxnRecon3DID rx "MAR05183" "" "FAOXC15ATPx" "" "" "" "FAOXC15ATPx" "MNXR99180" "" "" "" 0 "" "" "FAOXC15ATPx" "MAR05184" "" "FAOXC15BRC13BRx" "" "" "" "FAOXC15BRC13BRx" "" "" "" "" 0 "" "" "FAOXC15BRC13BRx" "MAR05185" "" "FAOXC15C13m" "" "" "" "FAOXC15C13m" "" "" "" "" 0 "" "" "FAOXC15C13m" -"MAR05186" "" "FAOXC15NADPx" "" "" "" "FAOXC15NADPx" "MNXR99292" "" "" "" 0 "" "" "FAOXC15NADPx" -"MAR05187" "" "FAOXC15NADx" "" "" "" "FAOXC15NADx" "MNXR99293" "" "" "" 0 "" "" "FAOXC15NADx" "MAR05188" "" "FAOXC161C141m" "" "" "" "FAOXC161C141m" "" "" "" "" 0 "" "" "FAOXC161C141m" "MAR05189" "" "FAOXC161C141x" "" "" "" "FAOXC161C141x" "" "" "" "" 0 "" "" "FAOXC161C141x" "MAR05190" "" "FAOXC161C161OHm" "" "" "" "FAOXC161C161OHm" "" "" "" "" 0 "" "" "FAOXC161C161OHm" -"MAR05191" "" "FAOXC162C142m" "" "" "" "FAOXC162C142m" "" "" "" "" 0 "" "" "FAOXC162C142m" "MAR05192" "" "FAOXC162C162OHm" "" "" "" "FAOXC162C162OHm" "" "" "" "" 0 "" "" "FAOXC162C162OHm" "MAR05193" "" "FAOXC163C142x" "" "" "" "FAOXC163C142x" "" "" "" "" 0 "" "" "FAOXC163C142x" "MAR05194" "" "FAOXC163C143m;HMR_3426" "" "" "" "FAOXC163C143m;HMR_3426" "" "HMR_3426" "RCR12671" "" 0 "" "" "FAOXC163C143m;HMR_3426;MAR03426" -"MAR05195" "" "FAOXC163C164Gm" "" "" "" "FAOXC163C164Gm;HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "FAOXC163C164Gm;HMR_3422;MAR03422" "MAR05196" "" "FAOXC163C164x" "" "" "" "FAOXC163C164x" "" "" "" "" 0 "" "" "FAOXC163C164x" -"MAR05208" "" "FAOXC163GC142m" "" "" "" "FAOXC163GC142m;HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "FAOXC163GC142m;HMR_3422;MAR03422" -"MAR05229" "" "FAOXC163Gm" "" "" "" "FAOXC163Gm;HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "FAOXC163Gm;HMR_3422;MAR03422" "MAR05235" "" "FAOXC163x" "" "" "" "FAOXC163x" "" "" "" "" 0 "" "" "FAOXC163x" "MAR05242" "" "FAOXC164C143m" "" "" "" "FAOXC164C143m" "" "" "" "" 0 "" "" "FAOXC164C143m" "MAR05256" "" "FAOXC164C143x" "" "" "" "FAOXC164C143x" "" "" "" "" 0 "" "" "FAOXC164C143x" "MAR05293" "" "FAOXC164C163x" "" "" "" "FAOXC164C163x" "" "" "" "" 0 "" "" "FAOXC164C163x" "MAR05298" "" "FAOXC164C165m" "" "" "" "FAOXC164C165m" "" "" "" "" 0 "" "" "FAOXC164C165m" "MAR05300" "" "FAOXC164C165x" "" "" "" "FAOXC164C165x" "" "" "" "" 0 "" "" "FAOXC164C165x" -"MAR05302" "" "FAOXC164GC163m" "" "" "" "FAOXC164GC163m;HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "FAOXC164GC163m;HMR_3422;MAR03422" "MAR05306" "" "FAOXC164m" "" "" "" "FAOXC164m" "" "" "" "" 0 "" "" "FAOXC164m" "MAR05309" "" "FAOXC164x" "" "" "" "FAOXC164x" "" "" "" "" 0 "" "" "FAOXC164x" "MAR05312" "" "FAOXC165C164m" "" "" "" "FAOXC165C164m" "" "" "" "" 0 "" "" "FAOXC165C164m" @@ -9296,9 +9286,7 @@ rxns rxnKEGGID rxnBiGGID rxnEHMNID rxnHepatoNET1ID rxnREACTOMEID rxnRecon3DID rx "MAR05345" "" "FAOXC181C161m" "" "" "" "FAOXC181C161m" "" "" "" "" 0 "" "" "FAOXC181C161m" "MAR05350" "" "FAOXC181C161x" "" "" "" "FAOXC181C161x" "" "" "" "" 0 "" "" "FAOXC181C161x" "MAR05355" "" "FAOXC181C181OHm" "" "" "" "FAOXC181C181OHm" "" "" "" "" 0 "" "" "FAOXC181C181OHm" -"MAR05356" "" "FAOXC182C162m" "" "" "" "FAOXC182C162m" "" "" "" "" 0 "" "" "FAOXC182C162m" "MAR05357" "" "FAOXC182C182OHm" "" "" "" "FAOXC182C182OHm" "" "" "" "" 0 "" "" "FAOXC182C182OHm" -"MAR05358" "" "FAOXC183C163Gm" "" "" "" "FAOXC183C163Gm" "" "" "" "" 0 "" "" "FAOXC183C163Gm" "MAR05359" "" "FAOXC183C163m;HMR_3426" "" "" "" "FAOXC183C163m;HMR_3426" "" "HMR_3426" "RCR12671" "" 0 "" "" "FAOXC183C163m;HMR_3426;MAR03426" "MAR05360" "" "FAOXC184C163m" "" "" "" "FAOXC184C163m;HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "FAOXC184C163m;HMR_3422;MAR03422" "MAR05364" "" "FAOXC184C163x" "" "" "" "FAOXC184C163x" "" "" "" "" 0 "" "" "FAOXC184C163x"