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

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(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl decanoate

	Properties	Image
MNX_ID	MNXM100224
reference	chebi:187099
formula	C₂₅H₄₄O₂
global charge	0
mol weight	376.625
InChIKey	ZSPZCKNQANJUIH-KSTRTYLUSA-N
InChI	InChI=1S/C25H44O2/c1-6-7-8-9-10-11-12-19-25(26)27-21-20-24(5)18-14-17-23(4)16-13-15-22(2)3/h15,17,20H,6-14,16,18-19,21H2,1-5H3/b23-17+,24-20+
SMILES	CCCCCCCCCC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C

MNX internals

InChI (mnx)	InChI=1/C25H44O2/c1-6-7-8-9-10-11-12-19-25(26)27-21-20-24(5)18-14-17-23(4)16-13-15-22(2)3/h15,17,20H,6-14,16,18-19,21H2,1-5H3/b23-17+,24-20+
SMILES (mnx)	[CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:19][C:25](=[O:26])[O:27][CH2:21]/[CH:20]=[C:24](\[CH3:5])[CH2:18][CH2:14]/[CH:17]=[C:23](\[CH3:4])[CH2:16][CH2:13][CH:15]=[C:22]([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:187099 chebi:187099 ZSPZCKNQANJUIH-KSTRTYLUSA-N	(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl decanoate [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] decanoate
lipidmaps:LMFA07010539 lipidmapsM:LMFA07010539 ZSPZCKNQANJUIH-KSTRTYLUSA-N	(E,E)-farnesyl decanoate (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl decanoate WE 25:3 WE(12:3(2E,6E,10E)(3Me,7Me,11Me)/10:0)