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

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all-trans-retinol

	Properties	Image
MNX_ID	MNXM1363773
reference	chebi:17336
formula	C₂₀H₃₀O
global charge	0
mol weight	286.459
InChIKey	FPIPGXGPPPQFEQ-OVSJKPMPSA-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)	54
in models (compartimentalized)	38

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-2395761 reactomeM:R-ALL-2395761 reactome:R-ALL-2473604 reactomeM:R-ALL-2473604 reactome:R-ALL-2473607 reactomeM:R-ALL-2473607 reactome:R-ALL-2473610 reactomeM:R-ALL-2473610 reactome:R-ALL-2473615 reactomeM:R-ALL-2473615 reactome:R-ALL-2473616 reactomeM:R-ALL-2473616 reactome:R-ALL-2473617 reactomeM:R-ALL-2473617 reactome:R-ALL-30209 reactomeM:R-ALL-30209 reactome:R-ALL-5623649 reactomeM:R-ALL-5623649 reactome:R-ALL-975590 reactomeM:R-ALL-975590 reactome:R-ALL-975599 reactomeM:R-ALL-975599 CHEBI:17336 chebi:17336 FPIPGXGPPPQFEQ-OVSJKPMPSA-N	all-trans-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 (all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol Alphalin Aquasol A Chocola A Vitamin A1 all-trans retinol all-trans-Retinol all-trans-retinyl alcohol all-trans-vitamin A all-trans-vitamin A alcohol retinol retinol (vit A) retinolum trans-retinol vitamin A vitamin A alcohol vitamin A1 vitamin A1 alcohol
bigg.metabolite:retinol biggM:retinol FPIPGXGPPPQFEQ-OVSJKPMPSA-N	All-trans-Retinol
kegg.drug:D12713 keggD:D12713 FPIPGXGPPPQFEQ-OVSJKPMPSA-N	Gildeuretinol (USAN)
kegg.compound:C17276 keggC:C17276 FPIPGXGPPPQFEQ-OVSJKPMPSA-N	Retinol-(cellular-retinol-binding-protein)
seed.compound:cpd00365 seedM:cpd00365 FPIPGXGPPPQFEQ-OVSJKPMPSA-N	Retinol Retinol-(cellular-retinol-binding-protein) Vitamin A Vitamin A1 all-trans-Retinol all-trans-retinol retinol trans-retinol vitamin A vitamin A1
lipidmaps:LMPR01090001 lipidmapsM:LMPR01090001 FPIPGXGPPPQFEQ-OVSJKPMPSA-N	Retinol Retinol Vitamin A
kegg.compound:C00473 keggC:C00473 FPIPGXGPPPQFEQ-OVSJKPMPSA-N	Retinol Vitamin A Vitamin A1 all-trans-Retinol
kegg.drug:D06543 keggD:D06543 FPIPGXGPPPQFEQ-OVSJKPMPSA-N	Vitamin A (USP) Aquasol A (TN) Retinol Vitamin A1
hmdb:HMDB0000305 FPIPGXGPPPQFEQ-OVSJKPMPSA-N	Vitamin A (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol (all-e)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol 11-cis-Retinol 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, (all-e)-isomer Alphalin Aquasol a Chocola a Retinol Vitamin a Vitamin a1 all trans Retinol all-trans-Retinol all-trans-Retinyl alcohol all-trans-Vitamin a alcohol alpha-sol b-Retinol beta-Retinol trans-Retinol
SLM:000000511 slm:000000511 FPIPGXGPPPQFEQ-BVRQXNHGSA-N	all-trans-retinol all-trans-retinol
metacyc.compound:CPD-13524 metacycM:CPD-13524 FPIPGXGPPPQFEQ-OVSJKPMPSA-N	all-trans-retinol retinol trans-retinol vitamin A vitamin A1
vmhM:retinol vmhmetabolite:retinol FPIPGXGPPPQFEQ-OVSJKPMPSA-N	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
hmdb:HMDB00305 chebi:12783 chebi:22349 chebi:8816 biggM:M_retinol keggC:M_C00473 keggC:M_C17276 keggD:M_D06543 keggD:M_D12713 seedM:M_cpd00365 vmhM:M_retinol	secondary/obsolete/fantasy identifier