CAS 102680-35-3 | Coenzyme A, S-(2E)-2-butenoate, tetralithium salt (9CI) | CAS Number 102680-35-3

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102680-35-3 | Coenzyme A, S-(2E)-2-butenoate, tetralithium salt (9CI)

CAS No: 102680-35-3 Catalog No: AG000848 MDL No:

Product Description

Catalog Number:

AG000848

Chemical Name:

Coenzyme A, S-(2E)-2-butenoate, tetralithium salt (9CI)

CAS Number:

102680-35-3

Molecular Formula:

C25H40Li3N7O17P3S

Molecular Weight:

856.4311

IUPAC Name:

S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] but-2-enethioate;lithium

InChI:

InChI=1S/C25H40N7O17P3S.3Li/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;;;/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40);;;

InChI Key:

ZFJGFCCFLWSTBZ-UHFFFAOYSA-N

SMILES:

C/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O.[Li].[Li].[Li]