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CHEBI:140089 - all-trans-retinyl dodecanoate

Default Structure
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
Homo sapiens (ncbitaxon:9606) - PubMed (2611253)
Rattus norvegicus (ncbitaxon:10116) - PubMed (6871239)
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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.
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
all-trans retinyl laurateChEBI
O15-dodecanoylretinolChEBI
all-trans-retinyl laurateChEBI
retinol laurateChemIDplus
retinyl dodecanoateChEBI
retinyl laurateChEBI
UniProt Name  Source
all-trans-retinyl dodecanoateUniProt
Manual XrefsDatabases
4509572ChemSpider
Registry NumbersSources
Reaxys:3171963Reaxys
CAS:1259-24-1ChemIDplus
Citations