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CHEBI:70761 - all-trans-retinyl stearate

ChEBI IDCHEBI:70761
ChEBI Nameall-trans-retinyl stearate
Stars
ASCII Nameall-trans-retinyl stearate
DefinitionA fatty acid ester formed between stearic acid and all-trans-retinol.
Last Modified24 January 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC38H64O2
Net Charge0
Average Mass552.928
Monoisotopic Mass552.49063
SMILESCCCCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C38H64O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-37(39)40-32-30-34(3)25-22-24-33(2)28-29-36-35(4)26-23-31-38(36,5)6/h22,24-25,28-30H,7-21,23,26-27,31-32H2,1-6H3/b25-22+,29-28+,33-24+,34-30+
InChIKeyYNGACJMSLZMZOX-FPFNAQAWSA-N
ChEBI Ontology
Outgoing Relation(s)
all-trans-retinyl stearate (CHEBI:70761) has functional parent all-trans-retinol (CHEBI:17336)
all-trans-retinyl stearate (CHEBI:70761) has functional parent octadecanoic acid (CHEBI:28842)
all-trans-retinyl stearate (CHEBI:70761) is a fatty acid ester (CHEBI:35748)
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 octadecanoate
Synonyms  Source
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl stearateIUPAC
O15-stearoylretinolChEBI
retinol, 15-octadecanoateChEBI
Vitamin A stearateChemIDplus
stearic acid, ester with retinolChEBI
Retinyl stearateChemIDplus
UniProt Name  Source
all-trans-retinyl octadecanoateUniProt
Registry NumbersSources
Reaxys:3180538Reaxys
CAS:631-87-8ChemIDplus
Citations