Coenzyme A S-Pyrazinecarboxylate-d3

Compound Identifiers & Properties

PubChem CID

169436645

SMILES

[2H]C1=C(N=C(C(=N1)[2H])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2C(C([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O)[2H]

Canonical SMILES

[2H]c1nc([2H])c(C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)nc1[2H]