Coenzyme A, S-acetate, trisodium salt (9CI)

Compound Identifiers & Properties

CAS

102029-73-2

PubChem CID

162368066

SMILES

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)[O-])O.[Na+].[Na+].[Na+]

Canonical SMILES

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSCC(=O)[O-].[Na+].[Na+].[Na+]