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CAS 5960-12-3

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Coenzyme A, S-cyclohexanecarboxylate

Description:
Coenzyme A, S-cyclohexanecarboxylate, identified by the CAS number 5960-12-3, 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 cyclohexanecarboxylate moiety, which contributes to its structural and functional properties. Coenzyme A itself is a cofactor that facilitates the transfer of acyl groups in metabolic reactions, making it essential for energy production and biosynthetic pathways. The presence of the cyclohexanecarboxylate group may influence its solubility, reactivity, and interaction with enzymes. Typically, compounds like this are involved in enzymatic reactions, acting as substrates or intermediates. The stability and reactivity of S-cyclohexanecarboxylate can be affected by factors such as pH, temperature, and the presence of other biochemical agents. Overall, this compound exemplifies the complexity of biochemical coenzymes and their vital roles in cellular metabolism.
Formula:C28H46N7O17P3S
InChI:InChI=1S/C28H46N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h14-17,20-22,26,37-38H,3-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1
InChI key:InChIKey=QRSKGVRHSLILFG-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)C4CCCCC4)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Synonyms:
  • Cyclohexanecarbonyl-CoA
  • Cyclohexanecarboxyl-CoA
  • Coenzyme A, S-cyclohexanecarboxylate
  • (Cyclohexylcarbonyl)coenzyme A
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