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CHEBI:88775 - CE(20:2(6Z,9Z))

ChEBI IDCHEBI:88775
ChEBI NameCE(20:2(6Z,9Z))
Stars
Last Modified15 November 2021
DownloadsMolfile
FormulaC47H80O2
Net Charge0
Average Mass677.155
Monoisotopic Mass676.61583
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC32)C1
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-NJJZEKHRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (21359215)
ChEBI Ontology
Outgoing Relation(s)
CE(20:2(6Z,9Z)) (CHEBI:88775) is a CE(20:2) (CHEBI:183804)
Synonyms  Source
Cholesteryl eicosadienoateHMDB
(2R,5S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl (11Z,14Z)-icosa-11,14-dienoateHMDB
Cholest-5-en-3-ol(3b)-11,14-eicosadienoateHMDB
Cholesteryl eicosadienoic acidHMDB
20:2 Cholesterol esterHMDB
Cholest-5-en-3-ol(3b)-11,14-eicosadienoic acidHMDB
Manual XrefsDatabases
HMDB0006734HMDB
Cholesterol-estersMetaCyc
Registry NumbersSources
CAS:77715-45-8KEGG COMPOUND
Citations