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CHEBI:88795 - cholesteryl (11Z)-icosenoate

ChEBI IDCHEBI:88795
ChEBI Namecholesteryl (11Z)-icosenoate
Stars
ASCII Namecholesteryl (11Z)-icosenoate
DefinitionA cholesteryl ester obtained by formal condensation of the carboxy group of (11Z)-icos-11-enoic acid with the 3-hydroxy group of cholesterol.
Last Modified31 October 2024
DownloadsMolfile
FormulaC47H82O2
Net Charge0
Average Mass679.171
Monoisotopic Mass678.63148
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)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/C47H82O2/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/h14-15,28,37-38,40-44H,7-13,16-27,29-36H2,1-6H3/b15-14-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKeyOWTYWMJVQZQWFH-UQPFUGTCSA-N
ChEBI Ontology
Outgoing Relation(s)
cholesteryl (11Z)-icosenoate (CHEBI:88795) has functional parent (11Z)-icos-11-enoic acid (CHEBI:32425)
cholesteryl (11Z)-icosenoate (CHEBI:88795) is a cholesteryl icosenoate (CHEBI:183805)
IUPAC Name 
cholest-5-en-3β-yl (11Z)-icos-11-enoate
Synonyms  Source
cholesteryl cis-11-eicosenoateHMDB
cholest-5-en-3β-yl (11Z-eicosenoate)HMDB
CE(20:1(11Z))ChEBI
cholest-5-en-3β-yl (11Z-eicosenoate)LIPID MAPS
cholesteryl ester (20:1(11Z))ChEBI
cholesteryl (11Z-eicosenoate)ChEBI
Manual XrefsDatabases
FDB023636FooDB
HMDB0005193HMDB
LMST01020011LIPID MAPS
Registry NumbersSources
CAS:70832-37-0ChEBI