CHEBI:15487 - isovaleryl-CoA

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ChEBI Name isovaleryl-CoA
ChEBI ID CHEBI:15487
Definition A methylbutanoyl-CoA is the S-isovaleryl derivative of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11856, CHEBI:1598, CHEBI:14481, CHEBI:20126
Supplier Information
Download Molfile XML SDF
Formula C26H44N7O17P3S
Net Charge 0
Average Mass 851.65182
Monoisotopic Mass 851.17273
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)/t15-,19-,20-,21+,25-/m1/s1
InChIKey UYVZIWWBJMYRCD-ZMHDXICWSA-N
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
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isovaleryl-CoA (CHEBI:15487) has functional parent butyryl-CoA (CHEBI:15517)
isovaleryl-CoA (CHEBI:15487) has functional parent isovaleric acid (CHEBI:28484)
isovaleryl-CoA (CHEBI:15487) has role mouse metabolite (CHEBI:75771)
isovaleryl-CoA (CHEBI:15487) is a methylbutanoyl-CoA (CHEBI:25286)
isovaleryl-CoA (CHEBI:15487) is conjugate acid of isovaleryl-CoA(4−) (CHEBI:57345)
Incoming isovaleryl-CoA(4−) (CHEBI:57345) is conjugate base of isovaleryl-CoA (CHEBI:15487)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
3-Methylbutanoyl-CoA KEGG COMPOUND
3-methylbutanoyl-coenzyme A ChEBI
3-methylbutyryl-CoA ChEBI
3-methylbutyryl-coenzyme A ChEBI
β-methylbutanoyl-CoA ChEBI
β-methylbutanoyl-coenzyme A ChEBI
β-methylbutyryl-CoA ChEBI
β-methylbutyryl-coenzyme A ChEBI
Isovaleryl-CoA KEGG COMPOUND
isovaleryl-coenzyme A ChEBI
Manual Xref Database
C02939 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
6244-91-3 CAS Registry Number ChemIDplus
78268 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
6928646 PubMed citation Europe PMC
Last Modified
27 January 2016