CAS 117380-98-0
:Coenzyme A, S-(4-chlorobenzoate)
Description:
Coenzyme A, S-(4-chlorobenzoate) is a derivative of coenzyme A, which plays a crucial role in various biochemical processes, particularly in the metabolism of fatty acids and the synthesis of acetyl-CoA. This compound features a 4-chlorobenzoate moiety, which introduces a chlorinated aromatic group, potentially influencing its reactivity and interaction with enzymes. The presence of the 4-chlorobenzoate group may enhance the lipophilicity of the molecule, affecting its ability to permeate biological membranes and interact with target proteins. Coenzyme A itself is essential for the transfer of acyl groups and is involved in the synthesis and oxidation of fatty acids, as well as in the metabolism of carbohydrates and amino acids. The specific characteristics of S-(4-chlorobenzoate) may include altered binding affinities and kinetic properties compared to the unmodified coenzyme A. Overall, this compound serves as a valuable tool in biochemical research, particularly in studies related to metabolic pathways and enzyme mechanisms.
Formula:C28H39ClN7O17P3S
InChI:InChI=1S/C28H39ClN7O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-3-5-16(29)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1
InChI key:InChIKey=DEPSOKCZMQPCBI-TYHXJLICSA-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(=O)C4=CC=C(Cl)C=C4)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Synonyms:- Coenzyme A, S-(4-chlorobenzoate)
- (4-Chlorobenzoyl)-CoA
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