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CHEBI:88768 - (11Z-octadecenoyl)-cholesterol

ChEBI IDCHEBI:88768
ChEBI Name(11Z-octadecenoyl)-cholesterol
Stars
ASCII Name(11Z-octadecenoyl)-cholesterol
DefinitionA cholesteryl octadecenoate in which the acy group is specified as (11Z)-octadec-11-enoyl.
Last Modified8 October 2021
DownloadsMolfile
FormulaC45H78O2
Net Charge0
Average Mass651.117
Monoisotopic Mass650.60018
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h12-13,26,35-36,38-42H,7-11,14-25,27-34H2,1-6H3/b13-12-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChIKeyBNQAKMBVXYXXED-FZDLOJSVSA-N
ChEBI Ontology
Outgoing Relation(s)
(11Z-octadecenoyl)-cholesterol (CHEBI:88768) has functional parent cis-vaccenic acid (CHEBI:50464)
(11Z-octadecenoyl)-cholesterol (CHEBI:88768) is a cholesteryl octadecenoate (CHEBI:132001)
IUPAC Name 
cholest-5-en-3β-yl (11Z)-octadec-11-enoate
Synonyms  Source
cholesteryl 1-(11Z-octadecenoic acid)HMDB
cholest-5-en-3β-yl (11Z-octadecenoate)HMDB
(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl (11Z)-octadec-11-enoateIUPAC
cholesteryl (11Z-octadecenoate)ChEBI
(11Z-octadecenoyl)-cholesterolChEBI
1-cis-vaccenoyl-cholesterolHMDB
UniProt Name  Source
cholesteryl (11Z)-octadecenoateUniProt
Manual XrefsDatabases
HMDB0005189HMDB
58191508ChemSpider
Citations