CHEBI:57345 - isovaleryl-CoA(4−)

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ChEBI Name isovaleryl-CoA(4−)
ChEBI ID CHEBI:57345
ChEBI ASCII Name isovaleryl-CoA(4-)
Definition A short chain fatty acyl-CoA(4−) that is the tetraanion of isovaleryl-CoA arising from deprotonation of phosphate and diphosphate functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H40N7O17P3S
Net Charge -4
Average Mass 847.61900
Monoisotopic Mass 847.14362
InChI InChI=1S/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,19-,20-,21+,25-/m1/s1
InChIKey UYVZIWWBJMYRCD-ZMHDXICWSA-J
SMILES CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
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 isovaleryl-CoA(4−) (CHEBI:57345) has role human metabolite (CHEBI:77746)
isovaleryl-CoA(4−) (CHEBI:57345) is a short chain fatty acyl-CoA(4−) (CHEBI:137040)
isovaleryl-CoA(4−) (CHEBI:57345) is conjugate base of isovaleryl-CoA (CHEBI:15487)
Incoming 2-hydroxyisovaleryl-CoA(4−) (CHEBI:138296) has functional parent isovaleryl-CoA(4−) (CHEBI:57345)
isovaleryl-CoA (CHEBI:15487) is conjugate acid of isovaleryl-CoA(4−) (CHEBI:57345)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] diphosphate}
Synonyms Sources
3-methylbutanoyl-CoA UniProt
3-methylbutanoyl-CoA(4−) ChEBI
isopentanoyl-CoA(4−) ChEBI
isopentanoyl-coenzyme A(4−) ChEBI
isovaleryl-CoA tetraanion ChEBI
isovaleryl-coenzyme A(4−) ChEBI
Manual Xref Database
ISOVALERYL-COA MetaCyc
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Last Modified
05 August 2021