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

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methyl (2E,6E)-farnesoate

	Properties	Image
MNX_ID	MNXM5369
reference	chebi:80535
formula	C₁₆H₂₆O₂
global charge	0
mol weight	250.382
InChIKey	NWKXNIPBVLQYAB-VDQVFBMKSA-N
InChI	InChI=1S/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,10,12H,6-7,9,11H2,1-5H3/b14-10+,15-12+
SMILES	COC(=O)/C=C(\C)CC/C=C(\C)CCC=C(C)C

MNX internals

InChI (mnx)	InChI=1/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,10,12H,6-7,9,11H2,1-5H3/b14-10+,15-12+
SMILES (mnx)	[CH3:1][C:13]([CH3:2])=[CH:8][CH2:6][CH2:9]/[C:14]([CH3:3])=[CH:10]/[CH2:7][CH2:11]/[C:15]([CH3:4])=[CH:12]/[C:16](=[O:17])[O:18][CH3:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80535 chebi:80535 NWKXNIPBVLQYAB-VDQVFBMKSA-N	methyl (2E,6E)-farnesoate (2E,6E)-farnesyl methyl ester Methyl 3,7,11-trimethyl-2,6,10-dodecatrienoate Methyl farnesate methyl (2-trans,6-trans)-farnesoate methyl (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate methyl (E,E)-farnesate methyl farnesoate
seed.compound:cpd16291 seedM:cpd16291 NWKXNIPBVLQYAB-VDQVFBMKSA-N	Methyl farnesoate (2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienoic acid methyl ester (2E,6E)-farnesyl methyl ester (trans,trans)-2,6,10-dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (2E,6E)- 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (E,E)- Methyl (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienoate methyl (2-trans-6-trans)-farnesoate methyl (2E,6E)-farnesoate methyl (trans,trans)-farnesoate
kegg.compound:C16503 keggC:C16503 NWKXNIPBVLQYAB-VDQVFBMKSA-N	Methyl farnesoate Methyl (2E,6E)-farnesoate
metacyc.compound:CPD-12586 metacycM:CPD-12586 NWKXNIPBVLQYAB-VDQVFBMKSA-N	methyl (2E,6E)-farnesoate (2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienoic acid methyl ester (2E,6E)-farnesyl methyl ester (trans,trans)-2,6,10-dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (2E,6E)- 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (E,E)- Methyl (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienoate methyl (2-trans-6-trans)-farnesoate methyl (trans,trans)-farnesoate
keggC:M_C16503 seedM:M_cpd16291	secondary/obsolete/fantasy identifier