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CHEBI:176725 - Cholest-5-en-3beta-yl (11Z,14Z-eicosadienoate)

ChEBI IDCHEBI:176725
ChEBI NameCholest-5-en-3beta-yl (11Z,14Z-eicosadienoate)
Stars
Last Modified15 November 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H80O2
Net Charge0
Average Mass677.155
Monoisotopic Mass676.61583
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCCCC/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/C47H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,28,37-38,40-44H,7-10,13,16-27,29-36H2,1-6H3/b12-11-,15-14-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKeyREFJKOQDWJELKE-AKLGJIFXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
ChEBI Ontology
Outgoing Relation(s)
Cholest-5-en-3beta-yl (11Z,14Z-eicosadienoate) (CHEBI:176725) is a cholesteryl ester (CHEBI:17002)
IUPAC Name 
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
17221002ChemSpider
LMST01020012LIPID MAPS
HMDB0062455HMDB