2',3'-cGAMP sodium

Compound Identifiers & Properties

CAS

2734858-36-5

PubChem CID

177858643

SMILES

C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(OC[C@@H]5C([C@H]([C@@H](O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O1)[O-])O)[O-].[Na+].[Na+]

Canonical SMILES

Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)([O-])O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)([O-])O[C@@H]2C3O)c(=O)[nH]1.[Na+].[Na+]