RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0118412
RefMet name	Retinol
Systematic name	Retinol
Synonyms	PubChem Synonyms
Exact mass	286.229665 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C20H30O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	29025 (Download molfile/View MW Metabolite Database details)
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+
InChIKey	FPIPGXGPPPQFEQ-OVSJKPMPSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C/C(=C\C=C\C(=C\CO)\C)/C=C/C1=C(C)CCCC1(C)C Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Prenol Lipids
Main Class	Isoprenoids
Sub Class	Retinoids
Distribution of Retinol in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Retinol
External Links
Pubchem CID	445354
LIPID MAPS	LMPR01090001
ChEBI ID	17336
KEGG ID	C00473
HMDB ID	HMDB0000305
Chemspider ID	393012
MetaCyc ID	CPD-13524
EPA CompTox	DTXCID40809635
Spectral data for Retinol standards
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Retinol

Rxn ID	KEGG Reaction	Enzyme
R02124	Retinol + NAD+ <=> Retinal + NADH + H+	retinol:NAD+ oxidoreductase
R02368	Retinyl palmitate + H2O <=> Retinol + Hexadecanoic acid	retinyl-palmitate palmitohydrolase
R07163	all-trans-13,14-Dihydroretinol + Acceptor <=> Retinol + Reduced acceptor	all-trans-13,14-dihydroretinol:acceptor 13,14-oxidoreductas
R08379	Retinol + NADP+ <=> Retinal + NADPH + H+	retinol: NADP+ oxidoreductase
R08387	Phosphatidylcholine + Retinol <=> 2-Acyl-sn-glycero-3-phosphocholine + Retinyl ester	phosphatidylcholine:retinol O-acyltransferase
R11952	Retinol + 2 Reduced adrenal ferredoxin + 2 H+ + Oxygen <=> all-trans-3,4-Didehydroretinol + 2 Oxidized adrenal ferredoxin + 2 H2O	all-trans-retinol,reduced adrenodoxin:oxygen 3,4-oxidoreductase

Table of KEGG human pathways containing Retinol

Pathway ID	Human Pathway	# of reactions
hsa00830	Retinol metabolism	6
hsa01100	Metabolic pathways	1
hsa01240	Biosynthesis of cofactors	1