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CHEBI:140084 - all-trans-retinyl octanoate

Default Structure
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:
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 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
O15-octanoylretinolChEBI
retinyl octanoateChEBI
vitamin A octanoateChEBI
UniProt Name  Source
all-trans-retinyl octanoateUniProt
Manual XrefsDatabases
4509574ChemSpider
Citations