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

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ChEBI Name (11Z-octadecenoyl)-cholesterol ChEBI ID CHEBI:88768 ChEBI ASCII Name (11Z-octadecenoyl)-cholesterol Definition A cholesteryl octadecenoate in which the acy group is specified as (11Z)-octadec-11-enoyl. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C45H78O2 Net Charge 0 Average Mass 651.117 Monoisotopic Mass 650.60018 InChI InChI=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 InChIKey BNQAKMBVXYXXED-FZDLOJSVSA-N SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCC\C=C/CCCCCC)[C@H](C)CCCC(C)C ChEBI Ontology Outgoing (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 Sources (11Z)-octadec-11-enoyl-cholesterol ChEBI (11Z-octadecenoyl)-cholesterol ChEBI (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-enoate IUPAC (cis-vaccenoyl)-cholesterol ChEBI 1-cis-vaccenoyl-cholesterol HMDB 18:1(11Z) cholesterol ester HMDB CE 18:1 (11Z) ChEBI CE(18:1(11Z)) ChEBI cholest-5-en-3β-yl (11Z-octadecenoate) HMDB cholesterol 1-(11Z-octadecenoate) HMDB cholesterol 1-(11Z-octadecenoic acid) HMDB cholesteryl (11Z)-octadecenoate UniProt cholesteryl (11Z-octadecenoate) ChEBI cholesteryl 1-(11Z-octadecenoate) HMDB cholesteryl 1-(11Z-octadecenoic acid) HMDB cholesteryl ester (18:1(11Z)) ChEBI Manual Xrefs Databases 58191508 ChemSpider HMDB0005189 HMDB View more database links Citation Type Source 28417305 PubMed citation Europe PMC Last Modified 08 October 2021