CHEBI:88756 - cholesteryl γ-linolenate

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ChEBI Name cholesteryl γ-linolenate
ChEBI ID CHEBI:88756
ChEBI ASCII Name cholesteryl gamma-linolenate
Definition A cholesteryl octadecatrienoate obtained by formal condensation of the carboxy group of γ-linolenic acid with the hydroxy group of cholesterol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C45H74O2
Net Charge 0
Average Mass 647.070
Monoisotopic Mass 646.56888
InChI InChI=1S/C45H74O2/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/h11-12,14-15,17-18,26,35-36,38-42H,7-10,13,16,19-25,27-34H2,1-6H3/b12-11-,15-14-,18-17-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChIKey GOHHVMNZYOLIPQ-AEYUOTALSA-N
SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)[H])(CC[C@@]4([C@H](C)CCCC(C)C)[H])[H])C)[H])C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Roles Classification
Biological Role(s): human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cholesteryl γ-linolenate (CHEBI:88756) has functional parent γ-linolenic acid (CHEBI:28661)
cholesteryl γ-linolenate (CHEBI:88756) has role human blood serum metabolite (CHEBI:85234)
cholesteryl γ-linolenate (CHEBI:88756) is a cholesteryl octadecatrienoate (CHEBI:132004)
IUPAC Name
cholest-5-en-3β-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Synonyms Sources
(3β)-cholest-5-en-3-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate IUPAC
(6Z,9Z,12Z-octadecatrienoyl)-cholesterol UniProt
18:3(6Z,9Z,12Z) Cholesterol ester HMDB
CE(18:3(6Z,9Z,12Z)) HMDB
CE(18:3n6) ChEBI
CE(18:3ω6) HMDB
cholesterol (6Z,9Z,12Z)-octadecatrienoate ChEBI
Cholesterol Ester(18:3n6/0:0) HMDB
Cholesterol Ester(18:3w6/0:0) HMDB
cholesteryl (6Z,9Z,12Z)-octadecatrienoate HMDB
Registry Number Type Source
8380453 Reaxys Registry Number Reaxys
Last Modified
23 November 2020