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CHEBI:234184 - (11E-octadecenoyl)-cholesterol

ChEBI IDCHEBI:234184
ChEBI Name(11E-octadecenoyl)-cholesterol
Stars
DefinitionA cholesteryl octadecenoate in which the acyl group is specified as (11E)-octadec-11-enoyl.
SubmitterAnneNiknejad
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-WPCQQANSSA-N
ChEBI Ontology
Outgoing Relation(s)
(11E-octadecenoyl)-cholesterol (CHEBI:234184) has functional parent trans-vaccenic acid (CHEBI:28727)
(11E-octadecenoyl)-cholesterol (CHEBI:234184) is a cholesteryl octadecenoate (CHEBI:132001)