CHEBI:57378 - glutaryl-CoA(5−)

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ChEBI Name glutaryl-CoA(5−)
ChEBI ID CHEBI:57378
ChEBI ASCII Name glutaryl-CoA(5-)
Definition An acyl-CoA oxoanion that is the pentaanion of glutaryl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H37N7O19P3S
Net Charge -5
Average Mass 876.59400
Monoisotopic Mass 876.11052
InChI InChI=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)/p-5/t14-,19-,20-,21+,25-/m1/s1
InChIKey SYKWLIJQEHRDNH-CKRMAKSASA-I
SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing glutaryl-CoA(5−) (CHEBI:57378) has role human metabolite (CHEBI:77746)
glutaryl-CoA(5−) (CHEBI:57378) is a ω-carboxyacyl-CoA(5−) (CHEBI:133241)
glutaryl-CoA(5−) (CHEBI:57378) is conjugate base of glutaryl-CoA (CHEBI:15524)
Incoming glutaryl-CoA (CHEBI:15524) is conjugate acid of glutaryl-CoA(5−) (CHEBI:57378)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxylatobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
4-carboxylatobutanoyl-CoA(5−) ChEBI
glutaryl-CoA UniProt
glutaryl-CoA pentaanion ChEBI
glutaryl-coenzyme A(5−) ChEBI
Last Modified
02 February 2017