Butyryl Coenzyme A Li salt

Documentation: Certificate of Analysis

Purity: >95%

Storage: Freezer

Supplied as: Neat

Smiles: [Li].O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)CCC

Molecular formula: C25H42N7O17P3S.xLi

Physical state: Solid

Lipid number: C4:0 CoA

CAS Index Name: Coenzyme A, S-butanoate, lithium salt (1:?)

InChI: InChI=1S/C25H42N7O17P3S.Li/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32;/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40);/t14-,18-,19-,20+,24-;/m1./s1

InChIKey: InChIKey=SXAZEWSJMLDGFQ-XXXNBSBMSA-N

Isomeric 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(CCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O.[Li]