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

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phytol

	Properties	Image
MNX_ID	MNXM2712
reference	chebi:17327
formula	C₂₀H₄₀O
global charge	0
mol weight	296.539
InChIKey	BOTWFXYSPFMFNR-PYDDKJGSSA-N
InChI	InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
SMILES	C/C(=C\CO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

MNX internals

InChI (mnx)	InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/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]/[CH2:16][OH:21]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	37
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17327 chebi:17327 BOTWFXYSPFMFNR-PYDDKJGSSA-N	phytol (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol Phytol trans-Phytol
bigg.metabolite:phytol biggM:phytol sabiork.compound:5552 sabiorkM:5552 kegg.compound:C01389 keggC:C01389 BOTWFXYSPFMFNR-PYDDKJGSSA-N	Phytol
hmdb:HMDB0002019 BOTWFXYSPFMFNR-PYDDKJGSSA-N	Phytol (2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-ol (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol (7R,11R,2E)-Phytol (E,R,R)-Phytol (e)-Phytol 3,7,11,15-Tetramethylhexadec-2-en-1-ol phytol trans-Phytol
seed.compound:cpd00999 seedM:cpd00999 BOTWFXYSPFMFNR-PYDDKJGSSA-N	Phytol (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol phytol trans-phytol
lipidmaps:LMPR0104010002 lipidmapsM:LMPR0104010002 BOTWFXYSPFMFNR-PYDDKJGSSA-N	Phytol 3R,7R,11R,15-tetramethyl-2E-hexadecen-1-ol
SLM:000389241 slm:000389241 BOTWFXYSPFMFNR-RTBURBONSA-N	phytol
metacyc.compound:PHYTOL metacycM:PHYTOL BOTWFXYSPFMFNR-PYDDKJGSSA-N	phytol (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol trans-phytol
hmdb:HMDB02019 chebi:14836 chebi:26121 chebi:8193 biggM:M_phytol keggC:M_C01389 seedM:M_cpd00999	secondary/obsolete/fantasy identifier