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CHEBI:140084 - all-trans-retinyl octanoate

ChEBI IDCHEBI:140084
ChEBI Nameall-trans-retinyl octanoate
Stars
ASCII Nameall-trans-retinyl octanoate
DefinitionAn all-trans-retinyl ester obtained by formal condensation of the carboxy group of octanoic acid with the hydroxy group of all-trans-retinol.
Last Modified28 July 2021
Submitterlaimo
DownloadsMolfile
FormulaC28H44O2
Net Charge0
Average Mass412.658
Monoisotopic Mass412.33413
SMILESCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=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+
InChIKeyAWGMQQGZWRIUJI-UBMBPVGBSA-N
Roles Classification
Biological Roles:
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 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  Source
retinyl octanoateChEBI
vitamin A octanoateChEBI
O15-octanoylretinolChEBI
UniProt Name  Source
all-trans-retinyl octanoateUniProt
Manual XrefsDatabases
4509574ChemSpider
Citations