Adenosine 5a(2)-(trihydrogen diphosphate), Pa(2)a5a(2)-ester with 3-carboxy-1-I(2)-D-ribofuranosylpyridinium inner salt, monosodium salt

化合物标识与属性

CAS

104809-30-5

PubChem CID

177839242

SMILES

C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)O.[Na]

Canonical SMILES

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.[Na]