EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:15524 - glutaryl-CoA

ChEBI IDCHEBI:15524
ChEBI Nameglutaryl-CoA
Stars
DefinitionAn ω-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of glutaric acid.
Secondary ChEBI IDsCHEBI:5436, CHEBI:14326, CHEBI:24332
Last Modified27 January 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H42N7O19P3S
Net Charge0
Average Mass881.641
Monoisotopic Mass881.14690
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O
InChIInChI=1S/C26H42N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,19-,20-,21+,25-/m1/s1
InChIKeySYKWLIJQEHRDNH-CKRMAKSASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
glutaryl-CoA (CHEBI:15524) has functional parent coenzyme A (CHEBI:15346)
glutaryl-CoA (CHEBI:15524) has role mouse metabolite (CHEBI:75771)
glutaryl-CoA (CHEBI:15524) is a glutaryl-CoAs (CHEBI:24333)
glutaryl-CoA (CHEBI:15524) is conjugate acid of glutaryl-CoA(5−) (CHEBI:57378)
Incoming Relation(s)
2-hydroxyglutaryl-CoA (CHEBI:28578) has functional parent glutaryl-CoA (CHEBI:15524)
3-hydroxy-3-methylglutaryl-CoA (CHEBI:11814) has functional parent glutaryl-CoA (CHEBI:15524)
glutaryl-CoA(5−) (CHEBI:57378) is conjugate base of glutaryl-CoA (CHEBI:15524)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
4-carboxybutanoyl-CoAChEBI
4-carboxybutanoyl-coenzyme AChEBI
coenzyme A, S-(hydrogen pentanedioate)ChemIDplus
Glutaryl-CoAKEGG COMPOUND
glutaryl-coenzyme AChEBI
Manual XrefsDatabases
C00527KEGG COMPOUND
c0222UM-BBD
GRAPDBeChem
HMDB0001339HMDB
Registry NumbersSources
CAS:3131-84-8ChemIDplus
CAS:3131-84-8KEGG COMPOUND
Citations