CHEBI:88752 - cholesteryl (5Z,8Z,11Z)-icosatrienoate

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ChEBI Name cholesteryl (5Z,8Z,11Z)-icosatrienoate
ChEBI ID CHEBI:88752
ChEBI ASCII Name cholesteryl (5Z,8Z,11Z)-icosatrienoate
Definition A cholesteryl octadecatrienoate obtained by formal condensation of the carboxy group of (5Z,8Z,11Z)-icosatrienoic acid with the hydroxy group of cholesterol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C47H78O2
Net Charge 0
Average Mass 675.123
Monoisotopic Mass 674.60018
InChI InChI=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/h14-15,17-18,20-21,28,37-38,40-44H,7-13,16,19,22-27,29-36H2,1-6H3/b15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKey XQWTZYBOKFFMKJ-PDGLZRNTSA-N
SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)[H])(CC[C@@]4([C@H](C)CCCC(C)C)[H])[H])C)[H])C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Roles Classification
Biological Role(s): human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cholesteryl (5Z,8Z,11Z)-icosatrienoate (CHEBI:88752) has functional parent (5Z,8Z,11Z)-icosatrienoic acid (CHEBI:72865)
cholesteryl (5Z,8Z,11Z)-icosatrienoate (CHEBI:88752) has role human blood serum metabolite (CHEBI:85234)
cholesteryl (5Z,8Z,11Z)-icosatrienoate (CHEBI:88752) is a cholesteryl icosatrienoate (CHEBI:138331)
IUPAC Name
cholest-5-en-3β-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Synonyms Sources
(3β)-cholest-5-en-3-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate IUPAC
20:3(5Z,8Z,11Z) Cholesterol ester HMDB
CE(20:3(5Z,8Z,11Z)) HMDB
CE(20:3n9) ChEBI
CE(20:3ω9) ChEBI
cholesterol (5Z,8Z,11Z)-eicosatrienoate ChEBI
cholesterol (5Z,8Z,11Z)-icosatrienoate ChEBI
cholesterol ester (20:3n9) ChEBI
cholesterol ester (20:3ω9) HMDB
Cholesterol Ester(20:3/0:0) HMDB
cholesteryl (5Z,8Z,11Z)-eicosatrienoate UniProt
Citations Waiting for Citations Types Sources
20671299 PubMed citation Europe PMC
21359215 PubMed citation Europe PMC
Last Modified
10 April 2018