Cas no 116751-95-2 (Coenzyme A, trisodium salt (9CI))

Coenzyme A, trisodium salt (9CI) structure
116751-95-2 structure
Product Name:Coenzyme A, trisodium salt (9CI)
CAS No:116751-95-2
MF:C21H36N7Na3O16P3S
MW:836.503438949585
CID:5598732
Update Time:2023-09-01

Coenzyme A, trisodium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • Coenzyme A, trisodium salt (9CI)
    • Inchi: 1S/C21H36N7O16P3S.3Na/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28;;;/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35);;;/q;3*+1/t11-,14-,15-,16+,20-;;;/m1.../s1
    • InChI Key: HIHLMGADUQNOMD-FFKZSOHASA-N
    • SMILES: O[C@@H]1[C@@H]([C@@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)O[C@H]1N1C=NC2C(=NC=NC1=2)N)OP(O)(O)=O.[Na+].[Na+].[Na+]
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