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CHEBI:137412 - cholesteryl (11Z,14Z,17Z)-icosatrienoate

ChEBI IDCHEBI:137412
ChEBI Namecholesteryl (11Z,14Z,17Z)-icosatrienoate
Stars
ASCII Namecholesteryl (11Z,14Z,17Z)-icosatrienoate
DefinitionA cholesteryl ester obtained by formal condensation of the carboxy group of (11Z,14Z,17Z)-icosatrienoic acid with the 3-hydroxy group of cholesterol.
Last Modified23 November 2020
Submitterlaimo
DownloadsMolfile
FormulaC47H78O2
Net Charge0
Average Mass675.139
Monoisotopic Mass674.60018
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC)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/C47H78O2/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/h8-9,11-12,14-15,28,37-38,40-44H,7,10,13,16-27,29-36H2,1-6H3/b9-8-,12-11-,15-14-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKeyARRNWLFGLUXSFU-AWELCHRJSA-N
ChEBI Ontology
Outgoing Relation(s)
cholesteryl (11Z,14Z,17Z)-icosatrienoate (CHEBI:137412) has functional parent all-cis-icosa-11,14,17-trienoic acid (CHEBI:53460)
cholesteryl (11Z,14Z,17Z)-icosatrienoate (CHEBI:137412) is a cholesteryl icosatrienoate (CHEBI:138331)
IUPAC Name 
(3β)-cholest-5-en-3-yl (11Z,14Z,17Z)-icosa-11,14,17-trienoate
Synonyms  Source
(11Z,14Z,17Z)-icosatrienoyl cholesterolSUBMITTER
CE(20:3(11Z,14Z,17Z))ChEBI
UniProt Name  Source
(11Z,14Z,17Z-eicosatrienoyl)-cholesterolUniProt