CHEBI:15517 - butyryl-CoA

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ChEBI Name butyryl-CoA
ChEBI ID CHEBI:15517
Definition A short-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of butyric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3235, CHEBI:13926, CHEBI:22953, CHEBI:22973
Supplier Information
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Formula C25H42N7O17P3S
Net Charge 0
Average Mass 837.62524
InChI InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1
InChIKey CRFNGMNYKDXRTN-CITAKDKDSA-N
SMILES CCCC(=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:10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:562) 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): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in mouse (Mus musculus).
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing butyryl-CoA (CHEBI:15517) has functional parent butyric acid (CHEBI:30772)
butyryl-CoA (CHEBI:15517) has functional parent coenzyme A (CHEBI:15346)
butyryl-CoA (CHEBI:15517) has role Escherichia coli metabolite (CHEBI:76971)
butyryl-CoA (CHEBI:15517) has role mouse metabolite (CHEBI:75771)
butyryl-CoA (CHEBI:15517) is a butanoyl-CoAs (CHEBI:22954)
butyryl-CoA (CHEBI:15517) is conjugate acid of butyryl-CoA(4−) (CHEBI:57371)
Incoming (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (CHEBI:15449) has functional parent butyryl-CoA (CHEBI:15517)
(3S)-3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:15454) has functional parent butyryl-CoA (CHEBI:15517)
2-methylacetoacetyl-CoA (CHEBI:15476) has functional parent butyryl-CoA (CHEBI:15517)
3-aminobutyryl-CoA (CHEBI:28317) has functional parent butyryl-CoA (CHEBI:15517)
3-hydroxybutanoyl-CoA (CHEBI:37050) has functional parent butyryl-CoA (CHEBI:15517)
3-hydroxyisovaleryl-CoA (CHEBI:28291) has functional parent butyryl-CoA (CHEBI:15517)
4-acetamidobutanoyl-CoA (CHEBI:28684) has functional parent butyryl-CoA (CHEBI:15517)
4-aminobutanoyl-CoA (CHEBI:15496) has functional parent butyryl-CoA (CHEBI:15517)
acetoacetyl-CoA (CHEBI:15345) has functional parent butyryl-CoA (CHEBI:15517)
isovaleryl-CoA (CHEBI:15487) has functional parent butyryl-CoA (CHEBI:15517)
butyryl-CoA(4−) (CHEBI:57371) is conjugate base of butyryl-CoA (CHEBI:15517)
IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(butanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Synonyms Sources
4:0-CoA ChEBI
Butanoyl-CoA KEGG COMPOUND
butanoyl-CoA ChEBI
butanoyl-coenzyme A ChEBI
Butyryl-CoA KEGG COMPOUND
Butyryl-CoA UM-BBD
Butyryl-coa ChemIDplus
Butyryl-coenzyme A ChemIDplus
C4:0-CoA ChEBI
Coenzyme A, S-butanoate ChemIDplus
S-butanoyl-CoA ChEBI
S-butanoyl-coenzyme A ChEBI
S-butyryl-CoA ChEBI
S-Butyryl-coenzym-A ChEBI
S-butyryl-coenzyme A ChEBI
Database Links Databases
BCO PDBeChem
C00136 KEGG COMPOUND
c0023 UM-BBD
HMDB01088 HMDB
View more database links
Registry Numbers Types Sources
2140-48-9 CAS Registry Number ChemIDplus
78263 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10517585 PubMed citation CiteXplore
1269146 PubMed citation CiteXplore
14570270 PubMed citation CiteXplore
15222752 PubMed citation CiteXplore
3117785 PubMed citation CiteXplore
6386797 PubMed citation CiteXplore
8099072 PubMed citation CiteXplore
Last Modified
27 January 2016