| PDB CCD ID: | CVC |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C9 H14 N3 O10 P V |
| InChI: | InChI=1S/C9H12N3O8P.2H2O.V/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;;;/h1-2,4,6-8H,3H2,(H2,10,11,15)(H2,16,17,18);2*1H2;/q-2;;;+4/p-2/t4-,6-,7-,8-;;;/m1.../s1 |
| InChIKey: | RQEDDOKDPWKVRD-LLWADOMFSA-L |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH]3O[V](O)(O)O[CH]23 | | OpenEye OEToolkits 2.0.4 | C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)O[V](O3)(O)O | | OpenEye OEToolkits 2.0.4 | C1=CN(C(=O)N=C1N)C2C3C(C(O2)COP(=O)(O)O)O[V](O3)(O)O | | CACTVS 3.385 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@H]3O[V](O)(O)O[C@@H]23 |
|
| Name: | [(1~{R},5~{R},6~{R},8~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,3-bis(oxidanyl)-2,4,7-trioxa-3$l^{4}-vanadabicyclo[3.3.0]octan-8-yl]methyl dihydrogen phosphate |
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