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:
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 |