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CHEBI:88756 - cholesteryl γ-linolenate

ChEBI IDCHEBI:88756
ChEBI Namecholesteryl γ-linolenate
Stars
ASCII Namecholesteryl gamma-linolenate
DefinitionA cholesteryl octadecatrienoate obtained by formal condensation of the carboxy group of γ-linolenic acid with the hydroxy group of cholesterol.
Last Modified23 November 2020
DownloadsMolfile
FormulaC45H74O2
Net Charge0
Average Mass647.085
Monoisotopic Mass646.56888
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)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/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
InChIKeyGOHHVMNZYOLIPQ-AEYUOTALSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (21359215)
Roles Classification
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
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  Source
cholesteryl (6Z,9Z,12Z)-octadecatrienoateHMDB
CE(18:3n6)ChEBI
18:3(6Z,9Z,12Z) Cholesterol esterHMDB
CE(18:3(6Z,9Z,12Z))HMDB
cholesterol (6Z,9Z,12Z)-octadecatrienoateChEBI
Cholesterol Ester(18:3n6/0:0)HMDB
UniProt Name  Source
(6Z,9Z,12Z-octadecatrienoyl)-cholesterolUniProt
Registry NumbersSources
Reaxys:8380453Reaxys