Coenzyme A S-Butanoate Trilithium Salt
[CAS# 102282-28-0]

Identification

• Name: Coenzyme A S-Butanoate Trilithium Salt
• Synonyms: Coenzyme A N-Butyryl Derivative (C4:0), Lithium Salt; Butyryl Coenzyme A Hydrate Lithium Salt; Butyryl Coenzyme A Lithium Salt Hydrate
• Molecular Formula: C₂₅H₃₈Li₄N₇O₁₇P₃S
• Molecular Weight: 861.36
• CAS Registry Number: 102282-28-0
• SMILES: CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)OP(=O)([O-])[O-])COP(=O)(OP(=O)(OCC(C(C(=O)NCCC(=O)NCCS)O)(C)C)[O-])[O-].[Li+].[Li+].[Li+].[Li+]
• InChI: 1S/C25H42N7O17P3S.4Li/c1-4-5-16(34)31-21-17-22(29-12-28-21)32(13-30-17)24-18(35)19(48-50(38,39)40)14(47-24)10-45-51(41,42)49-52(43,44)46-11-25(2,3)20(36)23(37)27-7-6-15(33)26-8-9-53;;;;/h12-14,1