S-Dimethylarsino-Coenzyme A
[CAS# 88978-30-7]

Identification

• Name: S-Dimethylarsino-Coenzyme A
• Synonyms: Coenzyme A, S-(dimethylarsinite); Coenzyme A, S-dimethylarsino-; S-Dimethylarsino-coa
• Molecular Formula: C₂₃H₄₁AsN₇O₁₆P₃S
• Molecular Weight: 871.52
• CAS Registry Number: 88978-30-7
• SMILES: O=C(NCCS[As](C)C)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3OP(=O)(O)O
• InChI: 1S/C23H41AsN7O16P3S/c1-23(2,18(34)21(35)27-6-5-14(32)26-7-8-51-24(3)4)10-44-50(41,42)47-49(39,40)43-9-13-17(46-48(36,37)38)16(33)22(45-13)31-12-30-15-19(25)28-11-29-20(15)31/h11-13,16-18,22,33-34H,5-10H2,1-4H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1
• InChIKey: FBXNHMZUWPZXLI-ZSJPKINUSA-N