CAS 2871-66-1
:3-Hydroxybutyryl-CoA
Description:
3-Hydroxybutyryl-CoA is a biochemical compound that plays a significant role in metabolic pathways, particularly in the context of fatty acid metabolism and the synthesis of ketone bodies. It is an acyl-CoA derivative, characterized by the presence of a hydroxyl group at the third carbon of the butyric acid chain. This compound is involved in the conversion of fatty acids into energy and is a key intermediate in the catabolism of certain amino acids and fatty acids. The presence of the coenzyme A (CoA) moiety facilitates its participation in various enzymatic reactions, making it a crucial player in cellular metabolism. 3-Hydroxybutyryl-CoA is typically found in the mitochondria and is associated with the regulation of energy production. Its structure allows it to undergo further transformations, such as oxidation or incorporation into larger biomolecules. Understanding its characteristics is essential for studying metabolic disorders and the biochemical pathways that govern energy homeostasis in living organisms.
Formula:C25H42N7O18P3S
InChI:InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,18-,19-,20+,24-/m1/s1
InChI key:InChIKey=QHHKKMYHDBRONY-RMNRSTNRSA-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(CC(C)O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Synonyms:- 3-Hydroxybutyryl-CoA
- β-Hydroxybutyryl coenzyme A
- Coenzyme A, S-(3-hydroxybutanoate)
- β-Hydroxybutyryl CoA
- Coenzyme A, S-(3-hydroxybutyrate)
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3-Hydroxybutyryl-CoA
CAS:3-Hydroxybutyryl-CoA, a metabolite found in mice, E. coli, and others, contains 3-hydroxybutanoyl as the S-acyl component and serves as an intermediate in butyric acid fermentation and the metabolism of lysine and tryptophan [1].Formula:C25H42N7O18P3SMolecular weight:853.62
