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

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(Z)-3-Dodecenyl (E)-2-butenoate

	Properties	Image
MNX_ID	MNXM100042
reference	chebi:196063
formula	C₁₆H₂₈O₂
global charge	0
mol weight	252.398
InChIKey	VPVYOJQBLAZGEP-DVRGKXNHSA-N
InChI	InChI=1S/C16H28O2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16(17)14-4-2/h4,11-12,14H,3,5-10,13,15H2,1-2H3/b12-11-,14-4+
SMILES	C/C=C/C(=O)OCC/C=C\CCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C16H28O2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16(17)14-4-2/h4,11-12,14H,3,5-10,13,15H2,1-2H3/b12-11-,14-4+
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:15][O:18][C:16](/[CH:14]=[CH:4]/[CH3:2])=[O:17]

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:196063 chebi:196063 VPVYOJQBLAZGEP-DVRGKXNHSA-N	(Z)-3-Dodecenyl (E)-2-butenoate [(Z)-dodec-3-enyl] (E)-but-2-enoate
lipidmaps:LMFA07010533 lipidmapsM:LMFA07010533 VPVYOJQBLAZGEP-DVRGKXNHSA-N	SFE 12:1(3Z)/4:1(2E) (Z)-3-Dodecenyl (E)-2-butenoate SFE 16:2 WE(12:1(3Z)/4:1(2E))