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For elaidate:
	Reverted changes to the original information, asides from the CHEBI and PubChem identifiers. Also, added an extra identifier for the metanext ids. So after reverting to the original ids present in Human-GEM/model/metabolites.tsv in commit f8c74a5 in the master branch:
		- CHEBI differences on the InChI which made the change in the CHEBI identifier -> elaidic acid (CHEBI:27997) to elaidate (CHEBI:30825):
			InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+ elaidic acid on CHEBI:27997
			InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9+ elaidate on CHEBI:30825
		- PubChem from 445639 to 5461071
		- Added metMetaNetXID MNXM727012 to the ones already present based on their InChI:
			InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9+ elaidate on CHEBI:30825
			InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9+ elaidate on MNXM727012

For oleate:
	Reverted changes to the original information, asides from the CHEBI and PubChem identifiers. Also, added an extra identifier for the metanext ids. So after reverting to the original ids present in Human-GEM/model/metabolites.tsv in commit f8c74a5 in the master branch:
		- CHEBI differences on the InChI which made the change in the CHEBI identifier -> oleic acid (CHEBI:16196) to oleate (CHEBI:30823):
			InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- in CHEBI:16196 (oleic acid)
			InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9- in CHEBI:30823 (oleate)
		- PubChem from 445639 to 5460221
		- Added metMetaNetXID MNXM727011 to the ones already present based on their InChI:
			InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9- on MNXM727011 ((9Z)-octadecenoate)
			InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9- in CHEBI:30823 (oleate)
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jorgemlferreira committed Mar 15, 2021
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Showing 1 changed file with 9 additions and 9 deletions.
18 changes: 9 additions & 9 deletions model/metabolites.tsv
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Original file line number Diff line number Diff line change
Expand Up @@ -3039,10 +3039,10 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"m01777c" "m01777" "" "" "" "" "" "" "" "" "M01777" "" "m01777c"
"m01777m" "m01777" "" "" "" "" "" "" "" "" "M01777" "" "m01777m"
"m01777r" "m01777" "" "" "" "" "" "" "" "" "M01777" "" "m01777r"
"m01778c" "m01778" "elaid" "" "" "CHEBI:30825" "5461071" "" "" "HC00830" "elaid" "MNXM727012" "m01778c"
"m01778l" "m01778" "elaid" "" "" "CHEBI:30825" "5461071" "" "" "HC00830" "elaid" "MNXM727012" "m01778l"
"m01778r" "m01778" "elaid" "" "" "CHEBI:30825" "5461071" "" "" "HC00830" "elaid" "MNXM727012" "m01778r"
"m01778s" "m01778" "elaid" "" "" "CHEBI:30825" "5461071" "" "" "HC00830" "elaid" "MNXM727012" "m01778s"
"m01778c" "m01778" "elaid" "C00712" "HMDB00573" "CHEBI:30825" "5461071" "LMFA01030073" "" "HC00830" "elaid" "MNXM11476;MNXM306;MNXM92305;MNXM727012" "m01778c"
"m01778l" "m01778" "elaid" "C00712" "HMDB00573" "CHEBI:30825" "5461071" "LMFA01030073" "" "HC00830" "elaid" "MNXM11476;MNXM306;MNXM92305;MNXM727012" "m01778l"
"m01778r" "m01778" "elaid" "C00712" "HMDB00573" "CHEBI:30825" "5461071" "LMFA01030073" "" "HC00830" "elaid" "MNXM11476;MNXM306;MNXM92305;MNXM727012" "m01778r"
"m01778s" "m01778" "elaid" "C00712" "HMDB00573" "CHEBI:30825" "5461071" "LMFA01030073" "" "HC00830" "elaid" "MNXM11476;MNXM306;MNXM92305;MNXM727012" "m01778s"
"m01779r" "m01779" "em2emgacpail_hs" "" "" "" "" "" "" "" "em2emgacpail_hs" "MNXM5386" "m01779r"
"m01780r" "m01780" "em2emgacpail_prot_hs" "" "" "" "" "" "" "" "em2emgacpail_prot_hs" "MNXM9492" "m01780r"
"m01781r" "m01781" "em3gacpail_hs" "" "" "" "" "" "" "" "em3gacpail_hs" "MNXM9024" "m01781r"
Expand Down Expand Up @@ -4544,10 +4544,10 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"m02644m" "m02644" "occoa" "C01944" "HMDB01070" "CHEBI:15533" "380" "" "" "HC00869" "occoa" "MNXM342" "m02644m"
"m02644p" "m02644" "occoa" "C01944" "HMDB01070" "CHEBI:15533" "380" "" "" "HC00869" "occoa" "MNXM342" "m02644p"
"m02645c" "m02645" "" "C02863" "" "" "" "" "" "" "M02645" "MNXM7606" "m02645c"
"m02646c" "m02646" "ocdcea" "" "" "CHEBI:30823" "445639" "" "" "HC00510" "ocdcea" "MNXM727011" "m02646c"
"m02646l" "m02646" "ocdcea" "" "" "CHEBI:30823" "445639" "" "" "HC00510" "ocdcea" "MNXM727011" "m02646l"
"m02646r" "m02646" "ocdcea" "" "" "CHEBI:30823" "445639" "" "" "HC00510" "ocdcea" "MNXM727011" "m02646r"
"m02646s" "m02646" "ocdcea" "" "" "CHEBI:30823" "445639" "" "" "HC00510" "ocdcea" "MNXM727011" "m02646s"
"m02646c" "m02646" "ocdcea" "C00712" "HMDB00207" "CHEBI:30823" "5460221" "LMFA01030002" "" "HC00510" "ocdcea" "MNXM306;MNXM727011" "m02646c"
"m02646l" "m02646" "ocdcea" "C00712" "HMDB00207" "CHEBI:30823" "5460221" "LMFA01030002" "" "HC00510" "ocdcea" "MNXM306;MNXM727011" "m02646l"
"m02646r" "m02646" "ocdcea" "C00712" "HMDB00207" "CHEBI:30823" "5460221" "LMFA01030002" "" "HC00510" "ocdcea" "MNXM306;MNXM727011" "m02646r"
"m02646s" "m02646" "ocdcea" "C00712" "HMDB00207" "CHEBI:30823" "5460221" "LMFA01030002" "" "HC00510" "ocdcea" "MNXM306;MNXM727011" "m02646s"
"m02647c" "m02647" "odecoa" "C00510" "HMDB01322" "CHEBI:15534" "5280355" "LMFA07050055" "" "HC00400" "odecoa" "MNXM1848;MNXM686" "m02647c"
"m02647m" "m02647" "odecoa" "C00510" "HMDB01322" "CHEBI:15534" "5280355" "LMFA07050055" "" "HC00400" "odecoa" "MNXM1848;MNXM686" "m02647m"
"m02647p" "m02647" "odecoa" "C00510" "HMDB01322" "CHEBI:15534" "5280355" "LMFA07050055" "" "HC00400" "odecoa" "MNXM1848;MNXM686" "m02647p"
Expand Down Expand Up @@ -8376,4 +8376,4 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"m10040c" "m10040" "" "" "" "" "" "" "" "" "" "" ""
"m10041c" "m10041" "" "" "" "" "119046" "" "" "" "" "" ""
"m10041s" "m10041" "" "" "" "" "119046" "" "" "" "" "" ""
"m10042c" "m10042" "" "C17689" "" "" "" "" "" "" "" "" ""
"m10042c" "m10042" "" "C17689" "" "" "" "" "" "" "" "" ""

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