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CAS 104809-02-1

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Coenzyme A, S-(hydrogen methylpropanedioate), tetralithium salt

Description:
Coenzyme A, S-(hydrogen methylpropanedioate), tetralithium salt, identified by CAS number 104809-02-1, is a complex organic compound that plays a crucial role in various biochemical processes, particularly in the metabolism of fatty acids and the synthesis of acetyl-CoA. This substance is characterized by its lithium salt form, which enhances its solubility and stability in aqueous solutions. Coenzyme A is essential for the transfer of acyl groups in metabolic pathways, facilitating the conversion of substrates into energy. The presence of the methylpropanedioate moiety indicates that it may participate in specific enzymatic reactions involving acyl transfer. As a tetralithium salt, it likely exhibits ionic properties, contributing to its reactivity and interaction with biological macromolecules. Overall, this compound is significant in biochemistry and pharmacology, serving as a cofactor in numerous enzymatic reactions and influencing metabolic regulation. Its unique structure and properties make it a subject of interest in research related to metabolism and drug development.
Formula:C25H40N7O19P3S·4Li
InChI:InChI=1S/C25H40N7O19P3S.4Li/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32;;;;/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42);;;;/t12?,13-,16-,17-,18+,22-;;;;/m1..../s1
InChI key:InChIKey=YJTCAKDUIBHPRN-CWDFXRSBSA-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(C(C(O)=O)C)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O.[Li]
Synonyms:
  • (20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)
  • 1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)
  • Coenzyme A, S-(hydrogen methylpropanedioate), tetralithium salt
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