| PDB CCD ID: | A23 |
| Number of entries in FURNA: | 2 |
| Chemical formula: | C10 H13 N5 O9 P2 |
| InChI: | InChI=1S/C10H13N5O9P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(23-26(19,20)24-7)4(22-10)1-21-25(16,17)18/h2-4,6-7,10H,1H2,(H,19,20)(H2,11,12,13)(H2,16,17,18)/t4-,6-,7-,10-/m1/s1 |
| InChIKey: | HJMBCNJTGVMDOA-KQYNXXCUSA-N |
| SMILES: | c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[P](O)(=O)O[CH]34; c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(O)O)OP(=O)(O4)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@H]4O[P@@](O)(=O)O[C@@H]34; O=P1(OC2C(OC(C2O1)COP(=O)(O)O)n3c4ncnc(N)c4nc3)O |
| Name: | ADENOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE |
| ChEMBL: | CHEMBL1230695 |
| ZINC: | ZINC000013776853 |
Reference: