Coenzyme A, S-benzoate, trilithium salt (9CI)

Compound Identifiers & Properties

CAS

102185-37-5

PubChem CID

162368069

SMILES

[Li].[Li].[Li].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)NCCS)O.C1=CC=C(C=C1)C(=O)[O-]

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)NCCS.O=C([O-])c1ccccc1.[Li].[Li].[Li]