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

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petroselaidic acid

MNXM20401 is deprecated and here replaced by MNXM1371387
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1371387
reference	chebi:30829
formula	C₁₈H₃₄O₂
global charge	0
mol weight	282.468
InChIKey	CNVZJPUDSLNTQU-OUKQBFOZSA-N
InChI	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12+
SMILES	CCCCCCCCCCC/C=C/CCCCC(=O)O

MNX internals

InChI (mnx)	InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12+
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]/[CH:12]=[CH:13]/[CH2:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[OH:20]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:30829 chebi:30829 CNVZJPUDSLNTQU-OUKQBFOZSA-N	petroselaidic acid (6E)-octadec-6-enoic acid 6E-octadecenoic acid Octadec-6t-ensaeure octadec-6t-enoic acid trans-6-octadecenoic acid trans-Delta(6)-octadecenoic acid trans-octadec-6-enoic acid
hmdb:HMDB0303337 CNVZJPUDSLNTQU-OUKQBFOZSA-N	6-Octadecenoic acid (6E)-octadec-6-enoic acid 6-Octadecenoate 6E-Octadecenoate 6E-Octadecenoic acid Octadec-6t-enoate Octadec-6t-enoic acid Octadec-6t-ensaeure Petroselaidate Petroselenic acid Petroselinic acid Petroselinic acid, (Z)-isomer Petroselinic acid, (e)-isomer Petroselinic acid, sodium salt, (Z)-isomer petroselenic acid trans-6-Octadecenoate trans-6-Octadecenoic acid trans-Delta(6)-Octadecenoic acid trans-Octadec-6-enoate trans-Octadec-6-enoic acid trans-delta(6)-Octadecenoate trans-delta(6)-octadecenoate trans-delta(6)-octadecenoic acid
lipidmaps:LMFA01030067 lipidmapsM:LMFA01030067 CNVZJPUDSLNTQU-OUKQBFOZSA-N	Petroselaidic acid 6E-octadecenoic acid C18:1n-12 FA 18:1 trans-6-octadecenoic acid
CHEBI:32377 chebi:32377 CNVZJPUDSLNTQU-OUKQBFOZSA-M	petroselaidate (6E)-octadec-6-enoate 6E-octadecenoate octadec-6t-enoate trans-6-octadecenoate trans-Delta(6)-octadecenoate trans-octadec-6-enoate