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 Lucila Aimo
Supplier Information
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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
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Registry Numbers Types Sources
1259-24-1 CAS Registry Number ChemIDplus
3171963 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1397791 PubMed citation Europe PMC
20628054 PubMed citation SUBMITTER
20976035 PubMed citation Europe PMC
2318596 PubMed citation Europe PMC
2611253 PubMed citation Europe PMC
29140274 PubMed citation Europe PMC
6833424 PubMed citation Europe PMC
6871239 PubMed citation Europe PMC
8157860 PubMed citation Europe PMC
Last Modified
28 July 2021