MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate

	Properties	Image
MNX_ID	MNXM7161
reference	chebi:77016
formula	C₂₂H₃₁O₂
global charge	-1
mol weight	327.488
InChIKey	MBMBGCFOFBJSGT-KUBAVDMBSA-M
InChI	InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/p-1/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
SMILES (mnx)	[CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][C:22](=[O:23])[OH:24]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	112
in models (compartimentalized)	45

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-2066763 reactomeM:R-ALL-2066763 reactome:R-ALL-2066770 reactomeM:R-ALL-2066770 reactome:R-ALL-400493 reactomeM:R-ALL-400493 reactome:R-ALL-6786220 reactomeM:R-ALL-6786220 reactome:R-ALL-9024011 reactomeM:R-ALL-9024011 reactome:R-ALL-9860950 reactomeM:R-ALL-9860950 CHEBI:77016 chebi:77016 MBMBGCFOFBJSGT-KUBAVDMBSA-M	(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (4Z,7Z,10Z,13Z,16Z,19Z)-DHA(1-) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate C22:6(omega-3) (1-)
kegg.compound:C06429 keggC:C06429 MBMBGCFOFBJSGT-KUBAVDMBSA-N	(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid (4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenoic acid 4,7,10,13,16,19-Docosahexaenoic acid 4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoic acid Docosahexaenoate Docosahexaenoic acid
metacyc.compound:CPD-10244 metacycM:CPD-10244 MBMBGCFOFBJSGT-KUBAVDMBSA-M	(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate DHA all-cis-docosa-4,7,10,13,16,19-hexaenoate cis-4,7,10,13,16,19-docosahexaenoic acid docosahexaenoate docosahexaenoic acid
SLM:000001084 slm:000001084 MBMBGCFOFBJSGT-KUBAVDMBSA-M	(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate 22:6(4Z,7Z,10Z,13Z,16Z,19Z)
bigg.metabolite:crvnc biggM:crvnc MBMBGCFOFBJSGT-KUBAVDMBSA-M	Cervonic acid, C22:6 n-3
lipidmaps:LMFA01030762 lipidmapsM:LMFA01030762 MBMBGCFOFBJSGT-KUBAVDMBSA-N	DHA (d5) 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid (d5)
lipidmaps:LMFA01030185 lipidmapsM:LMFA01030185 MBMBGCFOFBJSGT-KUBAVDMBSA-N	DHA 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid C22:6n-3,6,9,12,15,18 Cervonic acid Docosahexaenoic acid FA 22:6
hmdb:HMDB0002183 MBMBGCFOFBJSGT-KUBAVDMBSA-N	Docosahexaenoic acid (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoic acid (4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenoate (4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenoic acid (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoate (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexenoic acid (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid (all-Z)-4,7,10,13,16,19-Docosahexaenoic acid 22:6(N-3) 22:6-4, 7,10,13,16,19 4,7,10,13,16,19-Docosahexaenoate 4,7,10,13,16,19-Docosahexaenoic acid 4-cis,7-cis,10-cis,13-cis,16-cis,19-cis-Docosahexaenoic acid 4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoate 4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoic acid Acids, docosahexaenoic Acids, docosahexenoic Cervonate Cervonic acid Choline docosahexaenoate Choline docosahexaenoic acid DHA DOCOSA-4,7,10,13,16,19-hexaenoIC ACID DOCOSA-4,7,10,13,16,19-hexaenoate Doconexent Doconexento Doconexentum Docosahexaenoate Docosahexaenoic acid (all-Z isomer) Docosahexaenoic acid, 4,7,10,13,16,19-(all-Z-isomer) Docosahexaenoic acid, 4,7,10,13,16,19-isomer Docosahexaenoylcholine Doxonexent Efalex FA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) FA(22:6n3) all-Z-Docosahexaenoate all-Z-Docosahexaenoic acid all-cis-4,7,10,13,16,19-Docosahexaenoate all-cis-4,7,10,13,16,19-Docosahexaenoic acid all-cis-DHA cis-4,7,10,13,16,19-Docosahexanoate cis-4,7,10,13,16,19-Docosahexanoic acid delta4,7,10,13,16,19-Docosahexaenoic acid delta4,7,10,13,16,19-docosahexaenoic acid docosahexaenoic acid
seed.compound:cpd03852 seedM:cpd03852 MBMBGCFOFBJSGT-KUBAVDMBSA-M	Docosahexaenoic acid (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate 4,7,10,13,16,19-Docosahexaenoic acid DHA all-cis-docosa-4,7,10,13,16,19-hexaenoate docosahexaenoate docosahexaenoic acid
sabiork.compound:2895 sabiorkM:2895 MBMBGCFOFBJSGT-KUBAVDMBSA-N	Docosahexaenoic acid 4,7,10,13,16,19-Docosahexaenoic acid
CHEBI:28125 chebi:28125 MBMBGCFOFBJSGT-KUBAVDMBSA-N	all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid 22:6(n-3) 22:6-4, 7,10,13,16,19 4,7,10,13,16,19-Docosahexaenoic acid 4,7,10,13,16,19-docosahexaenoic acid DHA DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID Doconexent Docosahexaenoic acid all-cis-4,7,10,13,16,19-docosahexaenoic acid all-cis-DHA cervonic acid docosa-4,7,10,13,16,19-hexaenoic acid
vmhM:crvnc vmhmetabolite:crvnc MBMBGCFOFBJSGT-KUBAVDMBSA-M	cervonic acid, C22:6 n-3 (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
vmhM:CE0328 vmhmetabolite:CE0328 MBMBGCFOFBJSGT-KUBAVDMBSA-M	docosahexaenoate 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
hmdb:HMDB0062579 hmdb:HMDB02183 hmdb:HMDB62579 chebi:23857 chebi:43162 chebi:4673 biggM:M_crvnc keggC:M_C06429 seedM:M_cpd03852 vmhM:M_CE0328 vmhM:M_crvnc	secondary/obsolete/fantasy identifier