RefMet Compound Details

MW structure50132 (View MW Metabolite Database details)
RefMet nameButyryl-CoA
Alternative nameCoA 4:0
Systematic name3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(butanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
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Sum CompositionCoA 4:0 View other entries in RefMet with this sum composition
Exact mass837.157084 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC25H42N7O17P3SView other entries in RefMet with this formula
InChIKeyCRFNGMNYKDXRTN-CITAKDKDSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl CoAs
Pubchem CID122283
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Butyryl-CoA

Rxn IDKEGG ReactionEnzyme
R01177 Acetyl-CoA + Butanoyl-CoA <=> CoA + 3-Oxohexanoyl-CoAbutanoyl-CoA:acetyl-CoA C-butanoyltransferase
R01176 ATP + Butanoic acid + CoA <=> AMP + Diphosphate + Butanoyl-CoAButanoate:CoA ligase (AMP-forming)
R01171 Butanoyl-CoA + NAD+ <=> Crotonoyl-CoA + NADH + H+butanoyl-CoA:NAD+ trans-2-oxidoreductase
R01179 Butanoyl-CoA + Acetate <=> Butanoic acid + Acetyl-CoAbutanoyl-CoA:acetate CoA-transferase
R01175 Butanoyl-CoA + FAD <=> FADH2 + Crotonoyl-CoAbutanoyl-CoA:electron-transfer flavoprotein 2,3-oxidoreductase

Table of KEGG human pathways containing Butyryl-CoA

Pathway IDHuman Pathway# of reactions
hsa00071 Fatty acid degradation 2
hsa00650 Butanoate metabolism 2
hsa01100 Metabolic pathways 2
hsa01212 Fatty acid metabolism 2
hsa00062 Fatty acid elongation 1
hsa01200 Carbon metabolism 1