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CHEBI:70760 - all-trans-retinyl oleate

ChEBI IDCHEBI:70760
ChEBI Nameall-trans-retinyl oleate
Stars
ASCII Nameall-trans-retinyl oleate
DefinitionA fatty acid ester formed between oleic acid and all-trans-retinol.
Last Modified1 December 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC38H62O2
Net Charge0
Average Mass550.912
Monoisotopic Mass550.47498
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C38H62O2/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/h14-15,22,24-25,28-30H,7-13,16-21,23,26-27,31-32H2,1-6H3/b15-14-,25-22+,29-28+,33-24+,34-30+
InChIKeyFXKDHZXYYBPLHI-TUTABMRPSA-N
ChEBI Ontology
Outgoing Relation(s)
all-trans-retinyl oleate (CHEBI:70760) has functional parent all-trans-retinol (CHEBI:17336)
all-trans-retinyl oleate (CHEBI:70760) has functional parent oleic acid (CHEBI:16196)
all-trans-retinyl oleate (CHEBI:70760) 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 (9Z)-octadec-9-enoate
Synonyms  Source
O15-[(9Z)-octadec-9-enoyl]retinolChEBI
Retinol oleateChemIDplus
Retinyl oleateChemIDplus
Retinol, (Z)-9-octadecenoateChemIDplus
O-oleoyl-all-trans-retinolChEBI
UniProt Name  Source
all-trans-retinyl 9Z-octadecenoateUniProt
Registry NumbersSources
Reaxys:3228076Reaxys
CAS:631-88-9ChemIDplus
Citations