CHEBI:140089 - all-trans-retinyl dodecanoate

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ChEBI Name all-trans-retinyl dodecanoate
ChEBI ID CHEBI:140089
ChEBI ASCII Name all-trans-retinyl dodecanoate
Definition An all-trans-retinyl ester obtained by formal condensation of the carboxy group of dodecanoic (lauric) acid with the hydroxy group of all-trans-retinol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information No supplier information found for this compound.
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Formula C32H52O2
Net Charge 0
Average Mass 468.755
Monoisotopic Mass 468.39673
InChI InChI=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+
InChIKey ZGISOPBIAXHOTQ-OUGXGHBNSA-N
SMILES C1(C)(C)C(\C=C\C(=C\C=C\C(=C\COC(CCCCCCCCCCC)=O)\C)\C)=C(C)CCC1
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via vitamin A )
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.
(via vitamin A )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
all-trans retinyl laurate ChEBI
all-trans-retinyl dodecanoate UniProt
all-trans-retinyl laurate ChEBI
O15-dodecanoylretinol ChEBI
retinol laurate ChemIDplus
retinyl dodecanoate ChEBI
retinyl laurate ChEBI
vitamin A dodecanoate ChEBI
vitamin A laurate ChEBI
Manual Xref Database
4509572 ChemSpider
View more database links
Registry Numbers Types Sources
1259-24-1 CAS Registry Number ChemIDplus
3171963 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
28 July 2021