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

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(E)-3,7-Dimethyl-2,6-octadienyl octanoate

	Properties	Image
MNX_ID	MNXM100674
reference	chebi:196496
formula	C₁₈H₃₂O₂
global charge	0
mol weight	280.452
InChIKey	YYBMOGCOPQVSLQ-SAPNQHFASA-N
InChI	InChI=1S/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14+
SMILES	CCCCCCCC(=O)OC/C=C(\C)CCC=C(C)C

MNX internals

InChI (mnx)	InChI=1/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14+
SMILES (mnx)	[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:13][C:18](=[O:19])[O:20][CH2:15]/[CH:14]=[C:17](\[CH3:4])[CH2:12][CH2:10][CH:11]=[C:16]([CH3:2])[CH3:3]

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:196496 chebi:196496 YYBMOGCOPQVSLQ-SAPNQHFASA-N	(E)-3,7-Dimethyl-2,6-octadienyl octanoate [(2E)-3,7-dimethylocta-2,6-dienyl] octanoate
lipidmaps:LMFA07010620 lipidmapsM:LMFA07010620 YYBMOGCOPQVSLQ-SAPNQHFASA-N	(E)-3,7-Dimethyl-2,6-octadienyl octanoate (E)-3,7-Dimethyl-2,6-octadienyl octanoate WE 18:2 WE(8:2(2E,6E)(3Me,7Me)/8:0)