CAS 2140-48-9
:Butyryl CoA
Description:
Butyryl-CoA, or butyryl coenzyme A, is a thioester compound that plays a crucial role in various metabolic pathways, particularly in fatty acid metabolism and the synthesis of ketone bodies. It is characterized by its structure, which includes a butyric acid moiety linked to coenzyme A via a high-energy thioester bond. This compound is involved in the activation of butyric acid for subsequent reactions, such as its incorporation into the citric acid cycle or its conversion into acyl-CoA derivatives. Butyryl-CoA is also significant in the biosynthesis of certain lipids and serves as a substrate for various enzymatic reactions. In terms of physical properties, it is typically a colorless to pale yellow liquid, soluble in water and organic solvents, and has a relatively low molecular weight. Its CAS number, 2140-48-9, is used for identification in chemical databases. Overall, butyryl-CoA is essential for cellular energy production and metabolic regulation.
Formula:C25H42N7O17P3S
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
InChI key:InChIKey=CRFNGMNYKDXRTN-CITAKDKDSA-N
SMILES:O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Synonyms:- Butyryl coenzyme A
- Coenzyme A, S-butanoate
- Butyryl CoA
- Butanoyl coenzyme A
- Coenzyme A, S-butyrate
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