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

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(Z)-3,7-Dimethyl-2,6-octadienyl decanoate

	Properties	Image
MNX_ID	MNXM100086
reference	chebi:180340
formula	C₂₀H₃₆O₂
global charge	0
mol weight	308.506
InChIKey	ICAWXCQTUNYABR-MNDPQUGUSA-N
InChI	InChI=1S/C20H36O2/c1-5-6-7-8-9-10-11-15-20(21)22-17-16-19(4)14-12-13-18(2)3/h13,16H,5-12,14-15,17H2,1-4H3/b19-16-
SMILES	CCCCCCCCCC(=O)OC/C=C(/C)CCC=C(C)C

MNX internals

InChI (mnx)	InChI=1/C20H36O2/c1-5-6-7-8-9-10-11-15-20(21)22-17-16-19(4)14-12-13-18(2)3/h13,16H,5-12,14-15,17H2,1-4H3/b19-16-
SMILES (mnx)	[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:15][C:20](=[O:21])[O:22][CH2:17]/[CH:16]=[C:19](/[CH3:4])[CH2:14][CH2:12][CH:13]=[C:18]([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:180340 chebi:180340 ICAWXCQTUNYABR-MNDPQUGUSA-N	(Z)-3,7-Dimethyl-2,6-octadienyl decanoate [(2Z)-3,7-dimethylocta-2,6-dienyl] decanoate
lipidmaps:LMFA07010624 lipidmapsM:LMFA07010624 ICAWXCQTUNYABR-MNDPQUGUSA-N	WE 8:2(2Z,6E)(3Me,7Me)/10:0 (Z)-3,7-Dimethyl-2,6-octadienyl decanoate Neryl decanoate WE 20:2 WE(8:2(2Z,6E)(3Me,7Me)/10:0)