CHEBI:140084 - all-trans-retinyl octanoate

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ChEBI Name all-trans-retinyl octanoate
ChEBI ID CHEBI:140084
ChEBI ASCII Name all-trans-retinyl octanoate
Definition An all-trans-retinyl ester obtained by formal condensation of the carboxy group of octanoic 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 C28H44O2
Net Charge 0
Average Mass 412.649
Monoisotopic Mass 412.33413
InChI InChI=1S/C28H44O2/c1-7-8-9-10-11-17-27(29)30-22-20-24(3)15-12-14-23(2)18-19-26-25(4)16-13-21-28(26,5)6/h12,14-15,18-20H,7-11,13,16-17,21-22H2,1-6H3/b15-12+,19-18+,23-14+,24-20+
InChIKey AWGMQQGZWRIUJI-UBMBPVGBSA-N
SMILES C1(C)(C)C(\C=C\C(=C\C=C\C(=C\COC(CCCCCCC)=O)\C)\C)=C(C)CCC1
Roles Classification
Biological Role(s): 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 octanoate (CHEBI:140084) is a all-trans-retinyl ester (CHEBI:63410)
all-trans-retinyl octanoate (CHEBI:140084) is a octanoate ester (CHEBI:87657)
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 octanoate
Synonyms Sources
all-trans-retinyl octanoate UniProt
O15-octanoylretinol ChEBI
retinyl octanoate ChEBI
vitamin A octanoate ChEBI
Manual Xref Database
4509574 ChemSpider
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Citations Waiting for Citations Types Sources
20628054 PubMed citation SUBMITTER
7061433 PubMed citation Europe PMC
Last Modified
28 July 2021