Coenzyme A, S-(hydrogen 3-hydroxy-3-methyl pentanedioate), disodium salt hydrate

Compound Identifiers & Properties

PubChem CID

145710309

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(=NCCSC(=O)CC(C)(CC(=O)[O-])O)[O-])O.O.[Na+].[Na+]

Canonical SMILES

CC(O)(CC(=O)[O-])CC(=O)SCCN=C([O-])CCNC(=O)C(O)C(C)(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.O.[Na+].[Na+]