CAS 117411-09-3
:Coenzyme A, S-benzenepropanoate
Description:
Coenzyme A, S-benzenepropanoate, identified by the CAS number 117411-09-3, 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 benzenepropanoate moiety, which contributes to its unique properties and potential biological activities. Coenzyme A itself is a cofactor that facilitates the transfer of acyl groups in metabolic reactions, and its derivatives often exhibit enhanced solubility or altered reactivity. The presence of the benzene ring may influence its interaction with enzymes and substrates, potentially affecting its efficacy in biochemical pathways. As a synthetic compound, it may be utilized in research to study metabolic processes or as a tool in drug development. Its stability, solubility, and reactivity can vary based on environmental conditions, making it important to consider these factors in experimental applications. Overall, Coenzyme A, S-benzenepropanoate represents a significant compound in the field of biochemistry and pharmacology.
Formula:C30H44N7O17P3S
InChI:InChI=1S/C30H44N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h3-7,16-17,19,23-25,29,40-41H,8-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25+,29-/m1/s1
InChI key:InChIKey=HYSDRCZPYSOWME-FUEUKBNZSA-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(CCC4=CC=CC=C4)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Synonyms:- 3-Phenylpropionyl-CoA
- Coenzyme A, S-benzenepropanoate
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