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CHEBI:138724 - all-trans-retinyl heptanoate

ChEBI IDCHEBI:138724
ChEBI Nameall-trans-retinyl heptanoate
Stars
ASCII Nameall-trans-retinyl heptanoate
DefinitionAn all-trans-retinyl ester obtained by formal condensation of the carboxy group of heptanoic acid with the hydroxy group of all-trans-retinol.
Last Modified28 July 2021
Submitternhn
DownloadsMolfile
FormulaC27H42O2
Net Charge0
Average Mass398.631
Monoisotopic Mass398.31848
SMILESCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C27H42O2/c1-7-8-9-10-16-26(28)29-21-19-23(3)14-11-13-22(2)17-18-25-24(4)15-12-20-27(25,5)6/h11,13-14,17-19H,7-10,12,15-16,20-21H2,1-6H3/b14-11+,18-17+,22-13+,23-19+
InChIKeyQLFIHDFIMGLXEA-XOEOKOMISA-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 heptanoate (CHEBI:138724) has functional parent heptanoic acid (CHEBI:45571)
all-trans-retinyl heptanoate (CHEBI:138724) is a all-trans-retinyl ester (CHEBI:63410)
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 heptanoate
Synonyms  Source
O-heptanoyl-all-trans-retinolSUBMITTER
retinyl heptanoateChemIDplus
retinol heptanoateChEBI
vitamin A heptanoateChEBI
O15-heptanoylretinolChEBI
UniProt Name  Source
all-trans-retinyl heptanoateUniProt
Manual XrefsDatabases
9513447ChemSpider
Registry NumbersSources
Reaxys:13669311Reaxys
CAS:88641-44-5ChemIDplus
Citations