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

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(Z)-icos-13-enoic acid

	Properties	Image
MNX_ID	MNXM24465
reference	chebi:134479
formula	C₂₀H₃₈O₂
global charge	0
mol weight	310.522
InChIKey	URXZXNYJPAJJOQ-FPLPWBNLSA-N
InChI	InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-
SMILES	CCCCCC/C=C\CCCCCCCCCCCC(=O)O

MNX internals

InChI (mnx)	InChI=1/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20](=[O:21])[OH:22]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
CHEBI:134479 chebi:134479 URXZXNYJPAJJOQ-FPLPWBNLSA-N	(Z)-icos-13-enoic acid (13Z)-eicos-13-enoic acid (13Z)-icos-13-enoic acid (Z)-13-Eicosenoic acid (Z)-13-icosenoic acid (Z)-eicos-13-enoic acid 13Z-eicosenoic acid C20:1n-7 cis-13-Eicosenoic acid paullinic acid
bigg.metabolite:M00017 biggM:M00017 URXZXNYJPAJJOQ-FPLPWBNLSA-N	13Z-Eicosenoic Acid
hmdb:HMDB0035159 URXZXNYJPAJJOQ-FPLPWBNLSA-N	Paullinic acid (13Z)-Eicos-13-enoate (13Z)-Eicos-13-enoic acid (13Z)-icos-13-enoic acid (Z)-13-Eicosenoate (Z)-13-Eicosenoic acid (Z)-13-Icosenoate (Z)-13-Icosenoic acid (Z)-Eicos-13-enoate (Z)-Eicos-13-enoic acid 13Z-Eicosenoate 13Z-Eicosenoic acid C20:1N-7 Paullinate cis-13-Eicosenoate cis-13-Eicosenoic acid paullinic acid
vmhM:M00017 vmhmetabolite:M00017 URXZXNYJPAJJOQ-FPLPWBNLSA-M	Paullinic acid (13Z)-icos-13-enoic acid
kegg.compound:C21946 keggC:C21946 URXZXNYJPAJJOQ-FPLPWBNLSA-N	Paullinic acid (Z)-Eicos-13-enoic acid (Z)-Icos-13-enoic acid 13Z-Eicosenoic acid
lipidmaps:LMFA01030367 lipidmapsM:LMFA01030367 URXZXNYJPAJJOQ-FPLPWBNLSA-N	Paullinic acid 13Z-eicosenoic acid C20:1n-7 FA 20:1
hmdb:HMDB35159 biggM:M_M00017 keggC:M_C21946 vmhM:M_M00017	secondary/obsolete/fantasy identifier