| PDB CCD ID: | SSA |
| Number of entries in FURNA: | 1 |
| Chemical formula: | C13 H19 N7 O8 S |
| InChI: | InChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1 |
| InChIKey: | HQXFJGONGJPTLZ-YTMOPEAISA-N |
| SMILES: | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N; N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23; N[C@@H](CO)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CO; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CO)N)O)O)N |
| Name: | 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE |
| ChEMBL: | CHEMBL1163070 |
| DrugBank: | DB03869 |
| ZINC: | ZINC000013542770 |
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