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CHEBI:73910 - cholesteryl (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate

ChEBI IDCHEBI:73910
ChEBI Namecholesteryl (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate
Stars
ASCII Namecholesteryl (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate
DefinitionA cholesterol ester with the acyl group as (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenyl.
Secondary ChEBI IDCHEBI:84364
Last Modified27 June 2017
Submittermwilliams, namrata
DownloadsMolfile
FormulaC49H78O2
Net Charge0
Average Mass699.161
Monoisotopic Mass698.60018
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCC/C=C\C/C=C\C/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/C49H78O2/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/h8-9,11-12,14-15,17-18,20-21,30,39-40,42-46H,7,10,13,16,19,22-29,31-38H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1
InChIKeyXOLZNHXNFMEUGA-DCDLNIKOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
cholesteryl (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate (CHEBI:73910) has functional parent (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid (CHEBI:53488)
cholesteryl (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate (CHEBI:73910) has role mouse metabolite (CHEBI:75771)
cholesteryl (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate (CHEBI:73910) is a CE(22:5) (CHEBI:137551)
IUPAC Name 
(3β)-cholest-5-en-3-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Synonyms  Source
cholest-5-en-3β-yl (7Z,10Z,13Z,16Z,19Z-docosapentaenoate)LIPID MAPS
CE(22:5(7Z,10Z,13Z,16Z,19Z))HMDB
Cholesteryl 1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoate)HMDB
22:5(7Z,10Z,13Z,16Z,19Z) Cholesterol esterHMDB
Cholesterol 1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoate)HMDB
CE 22:5(7Z,10Z,13Z,16Z,19Z)ChEBI
Manual XrefsDatabases
LMST01020031LIPID MAPS
HMDB0010375HMDB