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

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ChEBI Name cholesteryl (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate
ChEBI ID CHEBI:73910
ChEBI ASCII Name cholesteryl (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate
Definition A cholesterol ester with the acyl group as (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenyl.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:84364
Supplier Information
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Formula C49H78O2
Net Charge 0
Average Mass 699.14240
Monoisotopic Mass 698.60018
InChI InChI=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
InChIKey XOLZNHXNFMEUGA-DCDLNIKOSA-N
SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=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).
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ChEBI Ontology
Outgoing 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 Sources
22:5(7Z,10Z,13Z,16Z,19Z) Cholesterol ester HMDB
CE 22:5(7Z,10Z,13Z,16Z,19Z) ChEBI
CE(22:5(7Z,10Z,13Z,16Z,19Z)) HMDB
cholest-5-en-3β-yl (7Z,10Z,13Z,16Z,19Z-docosapentaenoate) LIPID MAPS
Cholesterol 1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoate) HMDB
Cholesteryl 1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoate) HMDB
cholesteryl ester(22:5(7Z,10Z,13Z,16Z,19Z)) ChEBI
Manual Xrefs Databases
HMDB0010375 HMDB
LMST01020031 LIPID MAPS
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Last Modified
27 June 2017