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

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phytenal

	Properties	Image
MNX_ID	MNXM14442
reference	metacycM:CPD-14926
formula	C₂₀H₃₈O
global charge	0
mol weight	294.523
InChIKey	RAFZYSUICBQABU-PYDDKJGSSA-N
InChI	InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/b20-15+/t18-,19-/m1/s1
SMILES	C/C(=C\C=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

MNX internals

InChI (mnx)	InChI=1/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/b20-15+/t18-,19-/m1/s1
SMILES (mnx)	[CH3:1][CH:17]([CH3:2])[CH2:9][CH2:6][CH2:10][C@@H:18]([CH3:3])[CH2:11][CH2:7][CH2:12][C@@H:19]([CH3:4])[CH2:13][CH2:8][CH2:14]/[C:20]([CH3:5])=[CH:15]/[CH:16]=[O:21]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-14926 metacycM:CPD-14926 RAFZYSUICBQABU-PYDDKJGSSA-N	phytenal 2E-phytenal 3,7,11,15-tetramethyl-2E-hexadecenal
seed.compound:cpd32663 seedM:cpd32663 RAFZYSUICBQABU-PYDDKJGSSA-N	2E-phytenal 3,7,11,15-tetramethyl-2E-hexadecenal phytenal
seedM:M_cpd32663	secondary/obsolete/fantasy identifier