Acetyl 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)C

Molecular formula: C23H38N7O17P3S.3Li

Molecular weight: 830.39

Physical state: Solid

Lipid number: C2:0 CoA

CAS Index Name: Coenzyme A, S-acetate, trilithium salt

InChI: InChI=1S/C23H38N7O17P3S.3Li/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30;;;/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38);;;/t13-,16-,17-,18+,22-;;;/m1.../s1

InChIKey: InChIKey=MOGXDJCKYPGZRO-JHJDYNLLSA-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(C)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O.[Li]