CHEBI:74102 - cholesteryl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cholesteryl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate
ChEBI ID CHEBI:74102
ChEBI ASCII Name cholesteryl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate
Definition A cholesterol ester in which the acyl group is specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C49H76O2
Net Charge 0
Average Mass 697.12650
Monoisotopic Mass 696.58453
InChI InChI=1S/C49H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h8-9,11-12,14-15,17-18,20-21,23-24,30,39-40,42-46H,7,10,13,16,19,22,25-29,31-38H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1
InChIKey VOEVEGPMRIYYKC-HNJOWPRISA-N
SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cholesteryl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:74102) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
cholesteryl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:74102) has role mouse metabolite (CHEBI:75771)
cholesteryl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:74102) is a CE(22:6) (CHEBI:74103)
IUPAC Name
(3β)-cholest-5-en-3-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Synonyms Sources
22:6 Cholesteryl ester LIPID MAPS
CE 22:6(4Z,7Z,10Z,13Z,16Z,19Z) ChEBI
CE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) ChEBI
CE(22:6) LIPID MAPS
cholest-5-en-3β-yl (4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoate) LIPID MAPS
Cholest-5-en-3beta-yl (4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid) HMDB
cholesterol ester 22:6(4Z,7Z,10Z,13Z,16Z,19Z) ChEBI
cholesterol ester(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) ChEBI
Manual Xrefs Databases
HMDB0006733 HMDB
LMST01020019 LIPID MAPS
View more database links
Registry Number Type Source
8381027 Reaxys Registry Number Reaxys
Last Modified
12 July 2016