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

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(7Z,10Z,13Z,16Z)-docosatetraenoate

	Properties	Image
MNX_ID	MNXM1108185
reference	chebi:77225
formula	C₂₂H₃₅O₂
global charge	-1
mol weight	331.52
InChIKey	TWSWSIQAPQLDBP-DOFZRALJSA-M
InChI	InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/p-1/b7-6-,10-9-,13-12-,16-15-
SMILES	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][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][CH2:18][CH2:19][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)	10
in models (compartimentalized)	11

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77225 chebi:77225 TWSWSIQAPQLDBP-DOFZRALJSA-M	(7Z,10Z,13Z,16Z)-docosatetraenoate (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate C22:4(omega-6)(1-) adrenate all-cis-docosa-7,10,13,16-tetraenoate
SLM:000001124 slm:000001124 TWSWSIQAPQLDBP-DOFZRALJSA-M	(7Z,10Z,13Z,16Z)-docosatetraenoate 22:4(7Z,10Z,13Z,16Z) Adrenate
lipidmaps:LMFA01030178 lipidmapsM:LMFA01030178 TWSWSIQAPQLDBP-DOFZRALJSA-N	Adrenic Acid 22:4n6 7Z,10Z,13Z,16Z-docosatetraenoic acid C22:4n-6,9,12,15 FA 22:4
bigg.metabolite:adrn biggM:adrn TWSWSIQAPQLDBP-DOFZRALJSA-M	Adrenic acid
hmdb:HMDB0002226 TWSWSIQAPQLDBP-DOFZRALJSA-N	Adrenic acid (7Z,10Z,13Z,16Z)-Docosa-7,10,13,16-tetraenoate (7Z,10Z,13Z,16Z)-Docosa-7,10,13,16-tetraenoic acid (7Z,10Z,13Z,16Z)-Docosatetraenoate (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoic acid 7,10,13,16-Docosatetraenoate 7,10,13,16-Docosatetraenoic acid 7,10,13,16-Docosatetraenoic acid (van) adrenate 7,10,13,16-Docosatetraenoic acid (van) adrenic acid 7Z,10Z,13Z,16Z-Docosatetraenoate 7Z,10Z,13Z,16Z-Docosatetraenoic acid Adrenate Adrenic acid, (Z)-isomer FA(22:4(7Z,10Z,13Z,16Z)) all-cis-7,10,13,16-Docosatetraenoate all-cis-7,10,13,16-Docosatetraenoic acid cis,cis,cis,cis-Docosa-7,10,13,16-tetraensaeure docosatetraenoic acid
seed.compound:cpd16342 seedM:cpd16342 TWSWSIQAPQLDBP-DOFZRALJSA-M	Adrenic acid (7Z,10Z,13Z,16Z)-Docosa-7,10,13,16-tetraenoic acid (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoic acid (7Z,10Z,13Z,16Z)-docosatetraenoate 7,10,13,16-Docosatetraenoic acid adrenate adrenic acid
kegg.compound:C16527 keggC:C16527 TWSWSIQAPQLDBP-DOFZRALJSA-N	Adrenic acid (7Z,10Z,13Z,16Z)-Docosa-7,10,13,16-tetraenoic acid 7,10,13,16-Docosatetraenoic acid 7Z,10Z,13Z,16Z-Docosatetraenoic acid
metacyc.compound:CPD-17322 metacycM:CPD-17322 TWSWSIQAPQLDBP-DOFZRALJSA-M	adrenate (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoic acid (7Z,10Z,13Z,16Z)-docosatetraenoate adrenic acid
reactome:R-ALL-444170 reactomeM:R-ALL-444170 CHEBI:53487 chebi:53487 TWSWSIQAPQLDBP-DOFZRALJSA-N	all-cis-docosa-7,10,13,16-tetraenoic acid (7Z,10Z,13Z,16Z)-Docosa-7,10,13,16-tetraenoic acid (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoic acid 7,10,13,16-Docosatetraenoic acid 7Z,10Z,13Z,16Z-docosatetraenoic acid Adrenic acid adrenic acid all-cis-7,10,13,16-docosatetraenoic acid cis,cis,cis,cis-Docosa-7,10,13,16-tetraensaeure
hmdb:HMDB0062580 hmdb:HMDB02226 hmdb:HMDB62580 biggM:M_adrn keggC:M_C16527 seedM:M_cpd16342	secondary/obsolete/fantasy identifier