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CHEBI:70762 - all-trans-retinyl linoleate

ChEBI IDCHEBI:70762
ChEBI Nameall-trans-retinyl linoleate
Stars
ASCII Nameall-trans-retinyl linoleate
DefinitionA fatty acid ester formed between linoleic acid and all-trans-retinol.
Last Modified7 October 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC38H60O2
Net Charge0
Average Mass548.896
Monoisotopic Mass548.45933
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C38H60O2/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/h11-12,14-15,22,24-25,28-30H,7-10,13,16-21,23,26-27,31-32H2,1-6H3/b12-11-,15-14-,25-22+,29-28+,33-24+,34-30+
InChIKeyXJKITIOIYQCXQR-SCUNHAKFSA-N
ChEBI Ontology
Outgoing Relation(s)
all-trans-retinyl linoleate (CHEBI:70762) has functional parent all-trans-retinol (CHEBI:17336)
all-trans-retinyl linoleate (CHEBI:70762) has functional parent linoleic acid (CHEBI:17351)
all-trans-retinyl linoleate (CHEBI:70762) is a polyunsaturated fatty ester (CHEBI:145039)
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,12Z)-octadec-9,12-enoate
Synonyms  Source
O-linoleoyl-all-trans-retinolChEBI
O15-[(9Z,12Z)-octadeca-9,12-dienoyl]retinolChEBI
Retinyl linoleateChemIDplus
Retinol, (Z,Z)-9,12-octadecadienoateChemIDplus
Retinol linoleateChemIDplus
Registry NumbersSources
Reaxys:11145000Reaxys
CAS:631-89-0ChemIDplus
Citations