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Fix duplicate metabolites identified by PubChem IDs(2) #662

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4 changes: 3 additions & 1 deletion data/deprecatedIdentifiers/deprecatedMetabolites.tsv
Original file line number Diff line number Diff line change
Expand Up @@ -2212,4 +2212,6 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"MAM00591c" "MAM00591" "" "C14748" "" "CHEBI:34306" "" "" "" "HC02179" "" "MNXM6760" "m00591c" "m00591c"
"MAM00591e" "MAM00591" "" "C14748" "" "CHEBI:34306" "" "" "" "HC02179" "" "MNXM6760" "m00591s" "m00591s"
"MAM03162c" "MAM03162" "" "C05578" "" "CHEBI:27404" "" "" "" "" "M03162" "MNXM2336" "m03162c" "m03162c"
"MAM03231c" "MAM03231" "" "" "" "CHEBI:57277" "" "" "" "" "3hppa" "" "" "3hppa_c"
"MAM03231c" "MAM03231" "" "" "" "CHEBI:57277" "" "" "" "" "3hppa" "" "" "3hppa_c"
"MAM03540c" "MAM03540" "ddeccrn" "" "" "" "168381" "" "" "" "ddeccrn" "" "" "ddeccrn_c"
"MAM03540e" "MAM03540" "ddeccrn" "" "" "" "168381" "" "" "" "ddeccrn" "" "" "ddeccrn_s"
3 changes: 2 additions & 1 deletion data/deprecatedIdentifiers/deprecatedReactions.tsv
Original file line number Diff line number Diff line change
Expand Up @@ -173,4 +173,5 @@ rxns rxnKEGGID rxnBiGGID rxnEHMNID rxnHepatoNET1ID rxnREACTOMEID rxnRecon3DID rx
"MAR06252" "" "" "" "r2346" "" "" "MNXR106235" "HMR_6252" "RCR40129" "" 0 "" "" "HMR_6252"
"MAR09733" "R03674" "" "" "" "" "HMR_9733" "MNXR108330" "HMR_9733" "RCR14346" "" 0 "" "" "HMR_9733"
"MAR09734" "R04884" "" "" "" "" "HMR_9734" "MNXR109190" "HMR_9734" "RCR14347" "" 0 "RHEA:33516" "RHEA:33515" "HMR_9734"
"MAR10025" "" "" "" "" "" "" "" "" "" "" 0 "" "" "HMR_10025"
"MAR10025" "" "" "" "" "" "" "" "" "" "" 0 "" "" "HMR_10025"
"MAR04506" "" "C120CPT1" "" "" "" "C120CPT1" "" "" "" "" 0 "" "" "C120CPT1"
51 changes: 12 additions & 39 deletions model/Human-GEM.yml
Original file line number Diff line number Diff line change
Expand Up @@ -49969,14 +49969,6 @@
- charge: 0
- inchis: "InChI=1/C17H33NO5/c1-5-6-7-8-9-10-14(19)13-17(22)23-15(18(2,3)4)11-12-16(20)21/h14-15,19H,5-13H2,1-4H3"
- metFrom: "Recon3D"
- !!omap
- id: "MAM03540c"
- name: "Lauroyl Carnitine"
- compartment: "c"
- formula: "C19H37NO4"
- charge: 0
- inchis: "InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3/t17-/m1/s1"
- metFrom: "Recon3D"
- !!omap
- id: "MAM00042c"
- name: "(2E)-dodecenoyl-CoA"
Expand Down Expand Up @@ -50497,14 +50489,6 @@
- charge: 0
- inchis: "InChI=1/C19H37NO5/c1-5-6-7-8-9-10-11-12-16(21)13-19(24)25-17(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3"
- metFrom: "Recon3D"
- !!omap
- id: "MAM03540e"
- name: "Lauroyl Carnitine"
- compartment: "e"
- formula: "C19H37NO4"
- charge: 0
- inchis: "InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3/t17-/m1/s1"
- metFrom: "Recon3D"
- !!omap
- id: "MAM03541e"
- name: "Dodecenoyl Carnitine"
Expand Down Expand Up @@ -67935,6 +67919,13 @@
- compartment: "m"
- formula: "C24H39O4"
- charge: -1
- !!omap
- id: "MAM01729e"
- name: "dodecanoylcarnitine"
- compartment: "e"
- formula: "C19H37NO4"
- charge: 0

- inchis: ""
- metFrom: "HMRdatabase"
- reactions:
Expand Down Expand Up @@ -110746,9 +110737,9 @@
- upper_bound: 1000
- gene_reaction_rule: "ENSG00000110090 or ENSG00000169169 or ENSG00000205560"
- rxnNotes: ""
- rxnFrom: "HMRdatabase"
- rxnFrom: "HMRdatabase;Recon3D"
- eccodes: "2.3.1.21"
- references: ""
- references: "PMID:12828998;PMID:9498103;PMID:3955080"
- subsystem:
- "Carnitine shuttle (cytosolic)"
- confidence_score: 0
Expand Down Expand Up @@ -239483,24 +239474,6 @@
- subsystem:
- "Fatty acid oxidation"
- confidence_score: 0
- !!omap
- id: "MAR04506"
- name: "Production of Dodecanoylcarnitine"
- metabolites: !!omap
- MAM01597c: 1
- MAM02345c: -1
- MAM02348c: -1
- MAM03540c: 1
- lower_bound: -1000
- upper_bound: 1000
- gene_reaction_rule: "ENSG00000110090 or ENSG00000169169 or ENSG00000205560"
- rxnNotes: ""
- rxnFrom: "Recon3D"
- eccodes: ""
- references: "PMID:12828998;PMID:9498103;PMID:3955080"
- subsystem:
- "Fatty acid oxidation"
- confidence_score: 0
- !!omap
- id: "MAR04508"
- name: "Production of Dodecenoylcarnitine"
Expand Down Expand Up @@ -240716,7 +240689,7 @@
- id: "MAR04923"
- name: "Exchange of Lauroyl Carnitine"
- metabolites: !!omap
- MAM03540e: -1
- MAM01729e: -1
- lower_bound: -1000
- upper_bound: 1000
- gene_reaction_rule: ""
Expand Down Expand Up @@ -270716,8 +270689,8 @@
- id: "MAR11266"
- name: "Transport of Lauroyl Carnitine"
- metabolites: !!omap
- MAM03540c: 1
- MAM03540e: -1
- MAM01729c: 1
- MAM01729e: -1
- lower_bound: -1000
- upper_bound: 1000
- gene_reaction_rule: ""
Expand Down
37 changes: 18 additions & 19 deletions model/metabolites.tsv
Original file line number Diff line number Diff line change
Expand Up @@ -879,8 +879,8 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"MAM00528c" "MAM00528" "mi34p" "C04063" "HMDB0006235" "CHEBI:28858" "440211" "" "" "" "mi34p" "MNXM163431;MNXM2768" "m00528c" "m00528c"
"MAM00529c" "MAM00529" "mi3p__D" "C04006" "" "CHEBI:18169" "440194" "" "" "" "mi3p_D" "MNXM540" "m00529c" "m00529c"
"MAM00530c" "MAM00530" "mi4p__D" "C03546" "" "CHEBI:18384" "" "" "" "" "mi4p_D" "MNXM2063" "m00530c" "m00530c"
"MAM00531c" "MAM00531" "ppmi1346p" "C18058" "" "" "890" "" "" "" "ppmi1346p" "MNXM34087" "m00531c" "m00531c"
"MAM00531n" "MAM00531" "ppmi1346p" "C18058" "" "" "890" "" "" "" "ppmi1346p" "MNXM34087" "m00531n" "m00531n"
"MAM00531c" "MAM00531" "ppmi1346p" "C18058" "" "" "96024277" "" "" "" "ppmi1346p" "MNXM34087" "m00531c" "m00531c"
"MAM00531n" "MAM00531" "ppmi1346p" "C18058" "" "" "96024277" "" "" "" "ppmi1346p" "MNXM34087" "m00531n" "m00531n"
"MAM00532c" "MAM00532" "" "" "" "" "" "LMGP10060005" "" "" "M00532" "MNXM116015" "m00532c" "m00532c"
"MAM00533c" "MAM00533" "" "" "" "" "" "" "CE6504" "" "CE6504" "MNXM164037" "m00533c" "m00533c"
"MAM00534c" "MAM00534" "" "" "" "" "53481443" "" "CE3481" "" "CE3481" "MNXM32836" "m00534c" "m00534c"
Expand Down Expand Up @@ -1919,7 +1919,7 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"MAM01227m" "MAM01227" "" "" "" "" "" "" "CE5719" "" "CE5719" "MNXM39477" "m01227m" "m01227m"
"MAM01228m" "MAM01228" "" "" "" "" "" "" "CE5847" "" "CE5847" "MNXM39478" "m01228m" "m01228m"
"MAM01229c" "MAM01229" "" "" "" "" "" "" "CE3136" "" "CE3136" "MNXM166718" "m01229c" "m01229c"
"MAM01230c" "MAM01230" "retinal_cis_9" "" "" "" "638015" "" "CE5575" "" "retinal_cis_9" "MNXM162775;MNXM2209" "m01230c" "m01230c"
"MAM01230c" "MAM01230" "retinal_cis_9" "" "" "" "6436082" "" "CE5575" "" "retinal_cis_9" "MNXM162775;MNXM2209" "m01230c" "m01230c"
"MAM01230r" "MAM01230" "retinal_cis_9" "" "" "" "638015" "" "CE5575" "" "retinal_cis_9" "MNXM162775;MNXM2209" "m01230r" "m01230r"
"MAM01231c" "MAM01231" "" "" "" "" "449171" "" "CE1617" "" "CE1617" "MNXM10472" "m01231c" "m01231c"
"MAM01231r" "MAM01231" "" "" "" "" "449171" "" "CE1617" "" "CE1617" "MNXM10472" "m01231r" "m01231r"
Expand Down Expand Up @@ -2924,7 +2924,7 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"MAM01727m" "MAM01727" "" "" "" "" "" "" "" "" "M01727" "" "m01727m" "m01727m"
"MAM01727r" "MAM01727" "" "" "" "" "" "" "" "" "M01727" "" "m01727r" "m01727r"
"MAM01728c" "MAM01728" "ddcaACP" "C05223" "" "" "" "" "" "HC01394" "ddcaACP" "MNXM5723;MNXM89851" "m01728c" "m01728c"
"MAM01729c" "MAM01729" "" "" "HMDB0002250" "" "168381" "" "" "" "M01729" "MNXM51468;MNXM588354" "m01729c" "m01729c"
"MAM01729c" "MAM01729" "" "" "HMDB0002250" "" "168381" "" "" "" "M01729" "MNXM51468;MNXM588354" "m01729c" "m01729c;MAM03540c"
"MAM01729m" "MAM01729" "" "" "HMDB0002250" "" "168381" "" "" "" "M01729" "MNXM51468;MNXM588354" "m01729m" "m01729m"
"MAM01729r" "MAM01729" "" "" "HMDB0002250" "" "168381" "" "" "" "M01729" "MNXM51468;MNXM588354" "m01729r" "m01729r"
"MAM01730c" "MAM01730" "dolichol__L" "C00381" "" "CHEBI:16091" "" "LMPR03070004" "" "" "dolichol_L" "MNXM147098" "m01730c" "m01730c"
Expand Down Expand Up @@ -4541,7 +4541,7 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"MAM02646e" "MAM02646" "ocdcea" "C00712" "HMDB0000207" "CHEBI:30823" "5460221" "LMFA01030002" "" "HC00510" "ocdcea" "MNXM306;MNXM727011" "m02646s" "m02646s"
"MAM02647c" "MAM02647" "odecoa" "C00510" "HMDB0001322" "CHEBI:15534" "5280355" "LMFA07050055" "" "HC00400" "odecoa" "MNXM1848;MNXM686" "m02647c" "m02647c"
"MAM02647m" "MAM02647" "odecoa" "C00510" "HMDB0001322" "CHEBI:15534" "5280355" "LMFA07050055" "" "HC00400" "odecoa" "MNXM1848;MNXM686" "m02647m" "m02647m"
"MAM02647x" "MAM02647" "odecoa" "C00510" "HMDB0001322" "CHEBI:15534" "5280355" "LMFA07050055" "" "HC00400" "odecoa" "MNXM1848;MNXM686" "m02647p" "m02647p"
"MAM02647x" "MAM02647" "odecoa" "C00510" "HMDB0001322" "CHEBI:15534" "5497111" "LMFA07050055" "" "HC00400" "odecoa" "MNXM1848;MNXM686" "m02647p" "m02647p"
"MAM02647r" "MAM02647" "odecoa" "C00510" "HMDB0001322" "CHEBI:15534" "5280355" "LMFA07050055" "" "HC00400" "odecoa" "MNXM1848;MNXM686" "m02647r" "m02647r"
"MAM02648c" "MAM02648" "eicostet" "" "HMDB0002177" "" "11722594" "LMFA01030176" "" "" "eicostet" "MNXM11474" "m02648c" "m02648c"
"MAM02648l" "MAM02648" "eicostet" "" "HMDB0002177" "" "11722594" "LMFA01030176" "" "" "eicostet" "MNXM11474" "m02648l" "m02648l"
Expand Down Expand Up @@ -4595,17 +4595,17 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"MAM02675l" "MAM02675" "hdcea" "C08362" "HMDB0003229" "CHEBI:28716" "445638" "LMFA01030056" "" "HC01981" "hdcea" "MNXM950" "m02675l" "m02675l"
"MAM02675r" "MAM02675" "hdcea" "C08362" "HMDB0003229" "CHEBI:28716" "445638" "LMFA01030056" "" "HC01981" "hdcea" "MNXM950" "m02675r" "m02675r"
"MAM02675e" "MAM02675" "hdcea" "C08362" "HMDB0003229" "CHEBI:28716" "445638" "LMFA01030056" "" "HC01981" "hdcea" "MNXM950" "m02675s" "m02675s"
"MAM02676c" "MAM02676" "hdcecrn" "" "" "" "11953816" "" "" "HC10854" "hdcecrn" "MNXM8716" "m02676c" "m02676c"
"MAM02676m" "MAM02676" "hdcecrn" "" "" "" "11953816" "" "" "HC10854" "hdcecrn" "MNXM8716" "m02676m" "m02676m"
"MAM02676r" "MAM02676" "hdcecrn" "" "" "" "11953816" "" "" "HC10854" "hdcecrn" "MNXM8716" "m02676r" "m02676r"
"MAM02676c" "MAM02676" "hdcecrn" "" "" "" "129849228" "" "" "HC10854" "hdcecrn" "MNXM8716" "m02676c" "m02676c"
"MAM02676m" "MAM02676" "hdcecrn" "" "" "" "129849228" "" "" "HC10854" "hdcecrn" "MNXM8716" "m02676m" "m02676m"
"MAM02676r" "MAM02676" "hdcecrn" "" "" "" "129849228" "" "" "HC10854" "hdcecrn" "MNXM8716" "m02676r" "m02676r"
"MAM02677c" "MAM02677" "hdcoa" "" "HMDB0006532" "CHEBI:53152" "53477852" "LMFA07050059" "CE0852" "HC10852" "hdcoa" "MNXM781;MNXM90167" "m02677c" "m02677c"
"MAM02677m" "MAM02677" "hdcoa" "" "HMDB0006532" "CHEBI:53152" "53477852" "LMFA07050059" "CE0852" "HC10852" "hdcoa" "MNXM781;MNXM90167" "m02677m" "m02677m"
"MAM02677x" "MAM02677" "hdcoa" "" "HMDB0006532" "CHEBI:53152" "53477852" "LMFA07050059" "CE0852" "HC10852" "hdcoa" "MNXM781;MNXM90167" "m02677p" "m02677p"
"MAM02677r" "MAM02677" "hdcoa" "" "HMDB0006532" "CHEBI:53152" "53477852" "LMFA07050059" "CE0852" "HC10852" "hdcoa" "MNXM781;MNXM90167" "m02677r" "m02677r"
"MAM02678c" "MAM02678" "pmtcoa" "C00154" "HMDB0001338" "CHEBI:15525" "15667" "LMFA07050002" "" "HC00150" "pmtcoa" "MNXM88" "m02678c" "m02678c"
"MAM02678m" "MAM02678" "pmtcoa" "C00154" "HMDB0001338" "CHEBI:15525" "15667" "LMFA07050002" "" "HC00150" "pmtcoa" "MNXM88" "m02678m" "m02678m"
"MAM02678x" "MAM02678" "pmtcoa" "C00154" "HMDB0001338" "CHEBI:15525" "15667" "LMFA07050002" "" "HC00150" "pmtcoa" "MNXM88" "m02678p" "m02678p"
"MAM02678r" "MAM02678" "pmtcoa" "C00154" "HMDB0001338" "CHEBI:15525" "15667" "LMFA07050002" "" "HC00150" "pmtcoa" "MNXM88" "m02678r" "m02678r"
"MAM02678c" "MAM02678" "pmtcoa" "C00154" "HMDB0001338" "CHEBI:15525" "644109" "LMFA07050002" "" "HC00150" "pmtcoa" "MNXM88" "m02678c" "m02678c"
"MAM02678m" "MAM02678" "pmtcoa" "C00154" "HMDB0001338" "CHEBI:15525" "644109" "LMFA07050002" "" "HC00150" "pmtcoa" "MNXM88" "m02678m" "m02678m"
"MAM02678x" "MAM02678" "pmtcoa" "C00154" "HMDB0001338" "CHEBI:15525" "644109" "LMFA07050002" "" "HC00150" "pmtcoa" "MNXM88" "m02678p" "m02678p"
"MAM02678r" "MAM02678" "pmtcoa" "C00154" "HMDB0001338" "CHEBI:15525" "644109" "LMFA07050002" "" "HC00150" "pmtcoa" "MNXM88" "m02678r" "m02678r"
"MAM02679c" "MAM02679" "ptth" "C00831" "HMDB0003426" "CHEBI:16753" "439322" "" "" "HC00554" "" "MNXM727034" "m02679c" "m02679c"
"MAM02679m" "MAM02679" "ptth" "C00831" "HMDB0003426" "CHEBI:16753" "439322" "" "" "HC00554" "" "MNXM727034" "m02679m" "m02679m"
"MAM02680c" "MAM02680" "pnto__R" "C00864" "HMDB0000210" "CHEBI:7916" "988" "" "" "HC00568" "pnto_R" "MNXM364" "m02680c" "m02680c"
Expand Down Expand Up @@ -5255,8 +5255,8 @@ 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" "53480665" "" "" "" "C05279" "MNXM2039" "m03021m" "m03021m"
"MAM03021x" "MAM03021" "" "C05279" "HMDB0011123" "CHEBI:28387" "53480665" "" "" "" "C05279" "MNXM2039" "m03021p" "m03021p"
"MAM03021m" "MAM03021" "" "C05279" "HMDB0011123" "CHEBI:28387" "5280770" "" "" "" "C05279" "MNXM2039" "m03021m" "m03021m"
"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"
"MAM03023m" "MAM03023" "" "" "" "" "" "" "CE2594" "HC12594" "CE2594;HC12594" "" "m03023m" "m03023m"
Expand Down Expand Up @@ -6244,7 +6244,6 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"MAM03489e" "MAM03489" "c10dc" "" "" "" "" "" "" "" "c10dc" "MNXM162993" "" "c10dc_s"
"MAM00181c" "MAM00181" "" "C05264" "" "CHEBI:28325" "11966158" "LMFA07050014" "" "HC01403" "3hdcoa" "MNXM674" "" "m00181c"
"MAM03204c" "MAM03204" "3deccrn" "" "" "" "" "" "" "" "3deccrn" "MNXM150909" "" "3deccrn_c"
"MAM03540c" "MAM03540" "ddeccrn" "" "" "" "168381" "" "" "" "ddeccrn" "" "" "ddeccrn_c"
"MAM00042c" "MAM00042" "dd2coa" "C03221" "" "CHEBI:15471" "45266564" "LMFA07050010" "" "HC01078" "dd2coa" "MNXM642" "" "m00042c"
"MAM03541c" "MAM03541" "ddece1crn" "" "" "" "" "" "" "" "ddece1crn" "" "" "ddece1crn_c"
"MAM03491x" "MAM03491" "c12dccoa" "" "" "CHEBI:76315" "" "" "" "" "c12dccoa" "" "" "c12dccoa_p"
Expand Down Expand Up @@ -6310,7 +6309,6 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"MAM03502e" "MAM03502" "c8dc" "" "" "" "" "" "" "" "c8dc" "MNXM162999" "" "c8dc_s"
"MAM01648r" "MAM01648" "" "C01571" "HMDB0000511" "CHEBI:30813" "2969" "LMFA01010010" "" "HC02175" "dca" "MNXM1043;MNXM162295" "" "m01648r"
"MAM03202e" "MAM03202" "3ddcrn" "" "" "" "" "" "" "" "3ddcrn" "MNXM150910" "" "3ddcrn_s"
"MAM03540e" "MAM03540" "ddeccrn" "" "" "" "168381" "" "" "" "ddeccrn" "" "" "ddeccrn_s"
"MAM03541e" "MAM03541" "ddece1crn" "" "" "" "" "" "" "" "ddece1crn" "" "" "ddece1crn_s"
"MAM03204e" "MAM03204" "3deccrn" "" "" "" "" "" "" "" "3deccrn" "MNXM150909" "" "3deccrn_s"
"MAM03544e" "MAM03544" "decdicrn" "" "" "" "53481669" "" "" "" "decdicrn" "" "" "decdicrn_s"
Expand Down Expand Up @@ -6486,7 +6484,7 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"MAM02741e" "MAM02741" "pan4p" "C01134" "" "CHEBI:16858" "987" "" "" "HC00681" "pan4p" "MNXM373" "" "m02741s"
"MAM03933e" "MAM03933" "slfcys" "C05824" "HMDB0000731" "CHEBI:27891" "115015" "" "" "" "slfcys" "MNXM2428" "" "slfcys_s"
"MAM01828e" "MAM01828" "fmn" "C00061" "HMDB0001520" "CHEBI:17621" "643976" "" "" "HC00064" "fmn" "MNXM119" "" "m01828s"
"MAM02679e" "MAM02679" "ptth" "C00154" "HMDB0003426" "CHEBI:16753" "15667" "" "" "HC00554" "ptth" "MNXM1154" "" "m02679s"
"MAM02679e" "MAM02679" "ptth" "C00154" "HMDB0003426" "CHEBI:16753" "439322" "" "" "HC00554" "ptth" "MNXM1154" "" "m02679s"
"MAM03102e" "MAM03102" "q10h2" "C00390" "" "CHEBI:17976" "9962735" "" "" "HC00324" "q10h2" "MNXM9200" "" "m03102s"
"MAM02439x" "MAM02439" "mal__L" "C00149" "HMDB0000156" "CHEBI:30797" "222656" "" "" "HC00146" "mal_L" "MNXM98" "" "m02439p"
"MAM03933c" "MAM03933" "slfcys" "C05824" "HMDB0000731" "CHEBI:27891" "115015" "" "" "" "slfcys" "MNXM2428" "" "slfcys_c"
Expand Down Expand Up @@ -6538,7 +6536,7 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"MAM02639e" "MAM02639" "odecrn" "" "HMDB0005065" "" "" "" "" "" "odecrn" "MNXM65475;MNXM8956" "" "m02639s"
"MAM02940e" "MAM02940" "stcrn" "" "" "" "6426855" "LMFA07070008" "" "" "stcrn" "MNXM82716;MNXM9119" "" "m02940s"
"MAM02411e" "MAM02411" "pmtcrn" "C02990" "HMDB0000222" "CHEBI:17490" "11953816" "LMFA07070004" "" "HC01034" "pmtcrn" "MNXM162587;MNXM787" "" "m02411s"
"MAM02676e" "MAM02676" "hdcecrn" "" "" "" "11953816" "" "" "HC10854" "hdcecrn" "MNXM8716" "" "m02676s"
"MAM02676e" "MAM02676" "hdcecrn" "" "" "" "129849228" "" "" "HC10854" "hdcecrn" "MNXM8716" "" "m02676s"
"MAM01620e" "MAM01620" "pcreat" "C02305" "" "CHEBI:58092" "9548602" "" "" "" "pcreat" "MNXM819;MNXM90130;MNXM91273" "" "m01620s"
"MAM01580e" "MAM01580" "" "C00417" "" "CHEBI:32805" "309" "" "" "HC00342" "HC00342" "MNXM162425;MNXM813" "" "m01580s"
"MAM01372e" "MAM01372" "" "C08261" "HMDB0000784" "CHEBI:48131" "2266" "LMFA01170054" "" "" "C08261" "MNXM164574" "" "m01372s"
Expand Down Expand Up @@ -8489,4 +8487,5 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"MAM00995n" "MAM00995" "" "" "" "CHEBI:17879" "" "" "" "" "" "MNXM164" "" ""
"MAM01316n" "MAM01316" "" "" "" "CHEBI:60721" "" "" "" "" "" "MNXM731626" "" ""
"MAM00767n" "MAM00767" "" "" "" "CHEBI:84503" "" "" "" "" "" "MNXM733937" "" ""
"MAM01435m" "MAM01435" "" "C02528" "HMDB0000518" "CHEBI:16755" "10133" "LMST04010032" "" "HC00958" "HC00958" "MNXM1183" "" "MAM03318m"
"MAM01435m" "MAM01435" "" "C02528" "HMDB0000518" "CHEBI:16755" "10133" "LMST04010032" "" "HC00958" "HC00958" "MNXM1183" "" "MAM03318m"
"MAM01729e" "MAM01729" "" "" "HMDB0002250" "" "168381" "" "" "" "M01729" "MNXM51468;MNXM588354" "" "MAM03540e"
3 changes: 1 addition & 2 deletions model/reactions.tsv
Original file line number Diff line number Diff line change
Expand Up @@ -2183,7 +2183,7 @@ rxns rxnKEGGID rxnBiGGID rxnEHMNID rxnHepatoNET1ID rxnREACTOMEID rxnRecon3DID rx
"MAR02591" "R02396" "CSNATr" "R02396C" "r0534" "" "CSNATr" "MNXR96926" "HMR_2591" "RCR12360" "" 0 "" "RHEA:21136" "HMR_2591"
"MAR02594" "" "C30CPT1" "" "r1396" "" "C30CPT1" "" "HMR_2594" "RCR12361" "" 0 "" "" "HMR_2594"
"MAR02599" "R01923" "" "R01923X" "r0431" "" "r0431" "MNXR105343;MNXR107232" "HMR_2599" "RCR12362" "" 0 "" "RHEA:12661" "HMR_2599"
"MAR02602" "" "HMR_2602" "" "" "" "HMR_2602" "" "HMR_2602" "RCR12363" "" 0 "" "" "HMR_2602"
"MAR02602" "" "C120CPT1;HMR_2602" "" "" "" "C120CPT1;HMR_2602" "" "HMR_2602" "RCR12363" "" 0 "" "" "C120CPT1;HMR_2602;MAR04506"
"MAR02605" "" "" "" "" "" "HMR_2605" "" "HMR_2605" "RCR12364" "" 0 "" "" "HMR_2605"
"MAR02608" "" "HMR_2608" "" "" "" "HMR_2608" "" "HMR_2608" "RCR12365" "" 0 "" "" "HMR_2608"
"MAR02611" "" "HMR_2611" "" "" "" "HMR_2611" "" "HMR_2611" "RCR12366" "" 0 "" "" "HMR_2611"
Expand Down Expand Up @@ -9216,7 +9216,6 @@ rxns rxnKEGGID rxnBiGGID rxnEHMNID rxnHepatoNET1ID rxnREACTOMEID rxnRecon3DID rx
"MAR04479" "" "C10DCCACT" "" "" "" "C10DCCACT" "MNXR96374" "" "" "" 0 "" "" "C10DCCACT"
"MAR04491" "" "C10DCc" "" "" "" "C10DCc" "MNXR96375" "" "" "" 0 "" "" "C10DCc"
"MAR04504" "" "C10OHc" "" "" "" "C10OHc" "MNXR96376" "" "" "" 0 "" "" "C10OHc"
"MAR04506" "" "C120CPT1" "" "" "" "C120CPT1" "" "" "" "" 0 "" "" "C120CPT1"
"MAR04508" "" "C121CPT1" "" "" "" "C121CPT1" "" "" "" "" 0 "" "" "C121CPT1"
"MAR04509" "" "C12DCACOT" "" "" "" "C12DCACOT" "" "" "" "" 0 "" "" "C12DCACOT"
"MAR04511" "" "C12DCACT" "" "" "" "C12DCACT" "" "" "" "" 0 "" "" "C12DCACT"
Expand Down