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

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etheroleate

	Properties	Image
MNX_ID	MNXM11524
reference	chebi:229759
formula	C₁₈H₂₉O₃
global charge	-1
mol weight	293.427
InChIKey	NQNHRHWFZHFAAH-XSWVPMOFSA-M
InChI	InChI=1S/C18H30O3/c1-2-3-4-13-16-21-17-14-11-9-7-5-6-8-10-12-15-18(19)20/h9,11,13-14,16-17H,2-8,10,12,15H2,1H3,(H,19,20)/p-1/b11-9-,16-13+,17-14+
SMILES	CCCC/C=C/O/C=C/C=C\CCCCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C18H30O3/c1-2-3-4-13-16-21-17-14-11-9-7-5-6-8-10-12-15-18(19)20/h9,11,13-14,16-17H,2-8,10,12,15H2,1H3,(H,19,20)/b11-9-,16-13+,17-14+
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4]/[CH:13]=[CH:16]/[O:21]/[CH:17]=[CH:14]/[CH:11]=[CH:9]\[CH2:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:12][CH2:15][C:18](=[O:19])[OH:20]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:229759 chebi:229759 NQNHRHWFZHFAAH-XSWVPMOFSA-M	etheroleate (9Z,11E,1'E)-12-(1'E-hexenyloxy)-9,11-dodecadienoate
kegg.compound:C22918 keggC:C22918 NQNHRHWFZHFAAH-XSWVPMOFSA-N	(9Z,11E)-12-[(1E)-Hex-1-en-1-yloxy]dodeca-9,11-dienoic acid Etheroleic acid
seed.compound:cpd25383 seedM:cpd25383 NQNHRHWFZHFAAH-XSWVPMOFSA-M	(9Z,11E,1'E)-12-(1'-hexenyloxy)-9,11-dodecadienoic acid (9Z,11E,1'E)-12-(1'-Ehexenyloxy)-9,11-dodecadienoate (9Z,11E,1'E)-12-(1'E-hexenyloxy)-9,11-dodecadienoic acid etheroleate etheroleic acid
lipidmaps:LMFA10000008 lipidmapsM:LMFA10000008 NQNHRHWFZHFAAH-XSWVPMOFSA-N	Etheroleic acid 12-(1'E-Hexaenyloxy)-9Z,11E-dodecadienoic acid FA 18:3 O
metacyc.compound:CPD-8690 metacycM:CPD-8690 NQNHRHWFZHFAAH-XSWVPMOFSA-M	etheroleate (9Z,11E,1'E)-12-(1'-Ehexenyloxy)-9,11-dodecadienoate (9Z,11E,1'E)-12-(1'E-hexenyloxy)-9,11-dodecadienoic acid etheroleic acid
CHEBI:133329 chebi:133329 NQNHRHWFZHFAAH-XSWVPMOFSA-N	etheroleic acid (9Z,11E)-12-{[(1E)-hex-1-en-1-yl]oxy}dodeca-9,11-dienoic acid 12-(1'E-hexaenyloxy)-9Z,11E-dodecadienoic acid 12-[(1E)-1-hexenyloxy]-9Z,11E-dodecadienoic acid
keggC:M_C22918 seedM:M_cpd25383	secondary/obsolete/fantasy identifier