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CHEBI:140089 - all-trans-retinyl dodecanoate

ChEBI IDCHEBI:140089
ChEBI Nameall-trans-retinyl dodecanoate
Stars
ASCII Nameall-trans-retinyl dodecanoate
DefinitionAn all-trans-retinyl ester obtained by formal condensation of the carboxy group of dodecanoic (lauric) acid with the hydroxy group of all-trans-retinol.
Last Modified28 July 2021
Submitterlaimo
DownloadsMolfile
FormulaC32H52O2
Net Charge0
Average Mass468.766
Monoisotopic Mass468.39673
SMILESCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C32H52O2/c1-7-8-9-10-11-12-13-14-15-21-31(33)34-26-24-28(3)19-16-18-27(2)22-23-30-29(4)20-17-25-32(30,5)6/h16,18-19,22-24H,7-15,17,20-21,25-26H2,1-6H3/b19-16+,23-22+,27-18+,28-24+
InChIKeyZGISOPBIAXHOTQ-OUGXGHBNSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - PubMed (6871239)
Homo sapiens (ncbitaxon:9606) - PubMed (2611253)
Roles Classification
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
fat-soluble vitamin (role)  Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
all-trans-retinyl dodecanoate (CHEBI:140089) has role human xenobiotic metabolite (CHEBI:76967)
all-trans-retinyl dodecanoate (CHEBI:140089) has role rat metabolite (CHEBI:86264)
all-trans-retinyl dodecanoate (CHEBI:140089) is a all-trans-retinyl ester (CHEBI:63410)
all-trans-retinyl dodecanoate (CHEBI:140089) is a dodecanoate ester (CHEBI:87659)
IUPAC Name 
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl dodecanoate
Synonyms  Source
retinyl laurateChEBI
all-trans-retinyl laurateChEBI
vitamin A laurateChEBI
retinyl dodecanoateChEBI
vitamin A dodecanoateChEBI
O15-dodecanoylretinolChEBI
UniProt Name  Source
all-trans-retinyl dodecanoateUniProt
Manual XrefsDatabases
4509572ChemSpider
Registry NumbersSources
Reaxys:3171963Reaxys
CAS:1259-24-1ChemIDplus
Citations