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CAS 40757-80-0

:

Coenzyme A, S-9,12-octadecadienoate

Description:
Coenzyme A, S-9,12-octadecadienoate, also known as CoA-9,12-octadecadienoate, is a derivative of coenzyme A that plays a crucial role in various biochemical processes, particularly in fatty acid metabolism and the synthesis of acyl-CoA derivatives. This compound features a long hydrocarbon chain with two double bonds, characteristic of unsaturated fatty acids, which contributes to its reactivity and function in metabolic pathways. Coenzyme A itself is essential for the activation of fatty acids, allowing them to enter metabolic cycles such as beta-oxidation and the citric acid cycle. The presence of the octadecadienoate moiety indicates that this compound is involved in the metabolism of polyunsaturated fatty acids. Its structure allows it to participate in acyl transfer reactions, making it vital for energy production and the synthesis of lipids. Additionally, the compound's solubility and stability are influenced by its long hydrocarbon chain, which can affect its interactions with enzymes and other biomolecules in cellular processes.
Formula:C39H66N7O17P3S
InChI:InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34+,38-/m1/s1
InChI key:InChIKey=YECLLIMZHNYFCK-LFZQUHGESA-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(CCCCCCCC=CCC=CCCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Synonyms:
  • Coenzyme A, S-9,12-octadecadienoate
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