| PDB CCD ID: | 8CS |
| Number of entries in BioLiP: | 15 |
| Chemical formula: | C10 H12 N5 O7 P |
| InChI: | InChI=1S/C10H12N5O7P/c11-10-14-7-4(8(17)15-10)12-3-5(16)6-2(21-9(3)13-7)1-20-23(18,19)22-6/h2-3,6,9,12H,1H2,(H,18,19)(H4,11,13,14,15,17)/t2-,3+,6+,9-/m1/s1 |
| InChIKey: | PWFXLXMPGSLEOZ-RNCCKPSGSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | NC1=NC2=C(N[CH]3[CH](N2)O[CH]4CO[P](O)(=O)O[CH]4C3=O)C(=O)N1 | | ACDLabs 10.04 | O=C2C4OP(=O)(O)OCC4OC3NC=1N=C(N)NC(=O)C=1NC23 | | OpenEye OEToolkits 1.5.0 | C1C2C(C(=O)C3C(O2)NC4=C(N3)C(=O)NC(=N4)N)OP(=O)(O1)O | | OpenEye OEToolkits 1.5.0 | C1[C@@H]2[C@@H](C(=O)[C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)O[P@@](=O)(O1)O | | CACTVS 3.341 | NC1=NC2=C(N[C@@H]3[C@H](N2)O[C@@H]4CO[P@](O)(=O)O[C@@H]4C3=O)C(=O)N1 |
|
| Name: | (2R,4AR,5AR,11AR,12AS)-8-AMINO-2-HYDROXY-4A,5A,9,11,11A,12A-HEXAHYDRO[1,3,2]DIOXAPHOSPHININO[4',5':5,6]PYRANO[3,2-G]PTERIDINE-10,12(4H,6H)-DIONE 2-OXIDE |
| ZINC: | ZINC000058631721 |
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