Feedback

crepenynate

Properties

Image

Occurences in reactions

MNX_ID

MNXM3242

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₁₈H₂₉O₂

charge

-1

mass

277.2173

reference

InChIKey

SAOSKFBYQJLQOS-KTKRTIGZSA-M

InChI

InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b10-9-

SMILES

CCCCCC#CC/C=C\CCCCCCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:14030 chebi:14030	crepenynate (9Z)-Octadec-9-en-12-ynoate (9Z)-octadec-9-en-12-ynoate (Z)-9-octadecen-12-ynoate Crepenynate cis-9-octadecen-12-ynoate
CHEBI:16423 chebi:16423	(9Z)-octadec-9-en-12-ynoic acid (Z)-9-Octadecen-12-ynoic acid (Z)-octadec-9-en-12-ynoic acid 9c12a-18:2 Crepenynic acid Crepenynsaeure cis-9-Octadecen-12-ynoic acid cis-Octadec-9-en-12-in-1-saeure
seed.compound:cpd04503 seedM:cpd04503	Crepenynate (9Z)-Octadec-9-en-12-ynoate (9Z)-octadec-9-en-12-ynoate (Z)-9-Octadecen-12-ynoic acid (Z)-9-octadecen-12-ynoic acid Crepenynic acid crepenynate crepenynic acid
kegg.compound:C07289 keggC:C07289	Crepenynate (9Z)-Octadec-9-en-12-ynoate (Z)-9-Octadecen-12-ynoic acid Crepenynic acid
lipidmaps:LMFA01030742 lipidmapsM:LMFA01030742	Crepenynic acid 9Z-Octadecen-12-ynoic acid Crepeninic acid FA 18:3
metacyc.compound:CREPENYNATE metacycM:CREPENYNATE	crepenynate (9Z)-octadec-9-en-12-ynoate (Z)-9-octadecen-12-ynoic acid crepenynic acid
chebi:23407 chebi:3912 chebi:3913 keggC:M_C07289 seedM:M_cpd04503	secondary/obsolete/fantasy identifier