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

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9-cis-retinol

	Properties	Image
MNX_ID	MNXM1363775
reference	chebi:78272
formula	C₂₀H₃₀O
global charge	0
mol weight	286.459
InChIKey	FPIPGXGPPPQFEQ-MKOSUFFBSA-N
InChI	InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8-,17-13+
SMILES	CC1=C(/C=C/C(C)=C\C=C\C(C)=C\CO)C(C)(C)CCC1

MNX internals

InChI (mnx)	InChI=1/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8-,17-13+
SMILES (mnx)	[CH3:1][C:16](=[CH:8]/[CH:6]=[CH:9]/[C:17]([CH3:2])=[CH:13]/[CH2:15][OH:21])/[CH:11]=[CH:12]/[C:19]1=[C:18]([CH3:3])[CH2:10][CH2:7][CH2:14][C:20]1([CH3:4])[CH3:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	15

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78272 chebi:78272 FPIPGXGPPPQFEQ-MKOSUFFBSA-N	9-cis-retinol (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol (9cis)-retinol
sabiork.compound:23162 sabiorkM:23162 kegg.compound:C16682 keggC:C16682 FPIPGXGPPPQFEQ-MKOSUFFBSA-N	9-cis-Retinol
hmdb:HMDB0006217 FPIPGXGPPPQFEQ-MKOSUFFBSA-N	9-cis-Retinol (2E,4E,6Z,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol (9cis)-Retinol 9-cis Retinol 9-cis-retinol
seed.compound:cpd16480 seedM:cpd16480 FPIPGXGPPPQFEQ-MKOSUFFBSA-N	9-cis-Retinol 9-cis-retinol
bigg.metabolite:retinol_9_cis biggM:retinol_9_cis SLM:000485664 slm:000485664 FPIPGXGPPPQFEQ-MKOSUFFBSA-N	9-cis-retinol
vmhM:retinol_9_cis vmhmetabolite:retinol_9_cis FPIPGXGPPPQFEQ-MKOSUFFBSA-N	9-cis-retinol (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol
lipidmaps:LMPR01090009 lipidmapsM:LMPR01090009 FPIPGXGPPPQFEQ-MKOSUFFBSA-N	9-cis-retinol 9Z-retinol
hmdb:HMDB06217 biggM:M_retinol_9_cis keggC:M_C16682 seedM:M_cpd16480 vmhM:M_retinol_9_cis	secondary/obsolete/fantasy identifier