Coenzyme A isobutyryl derivative lithium salt
[CAS# 103404-95-1]

Identification

• Name: Coenzyme A isobutyryl derivative lithium salt
• Synonyms: Isobutyryl coenzyme A lithium salt; Isobutyryl coenzyme- A lithium salt; I0383_SIGMA
• Molecular Formula: C₂₅H₄₂LiN₇O₁₇P₃S
• Molecular Weight: 844.57
• CAS Registry Number: 103404-95-1
• SMILES: [Li].CC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
• InChI: 1S/C25H42N7O17P3S.Li/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32;/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)
• InChIKey: PGPHNCUNIGLUCX-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)