EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138722 - 13-cis-retinyl hexadecanoate

ChEBI IDCHEBI:138722
ChEBI Name13-cis-retinyl hexadecanoate
Stars
ASCII Name13-cis-retinyl hexadecanoate
DefinitionA retinyl ester obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of 13-cis-retinol.
Last Modified15 January 2018
Submitternhn
DownloadsMolfile
FormulaC36H60O2
Net Charge0
Average Mass524.874
Monoisotopic Mass524.45933
SMILESCCCCCCCCCCCCCCCC(=O)OC/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C
InChIInChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28-
InChIKeyVYGQUTWHTHXGQB-ILAPVCSWSA-N
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
ChEBI Ontology
Outgoing Relation(s)
13-cis-retinyl hexadecanoate (CHEBI:138722) has functional parent 13-cis-retinol (CHEBI:45479)
13-cis-retinyl hexadecanoate (CHEBI:138722) is a 13-cis-retinyl ester (CHEBI:195359)
13-cis-retinyl hexadecanoate (CHEBI:138722) is a retinyl palmitate (CHEBI:15040)
IUPAC Names 
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate
(13cis)-O15-hexadecanoylretinol
Synonym  Source
13-cis-retinyl palmitateSUBMITTER
UniProt Name  Source
13-cis-retinyl hexadecanoateUniProt
Registry NumbersSources
Reaxys:3226709Reaxys
Citations