| PDB CCD ID: | P4J |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H9 N2 O22 V6 |
| InChI: | InChI=1S/C8H9N2O4.15H2O.3O.6V/c11-3-5-6(12)7(13)8(14-5)10-2-1-9-4-10;;;;;;;;;;;;;;;;;;;;;;;;/h1-2,4-8H,3H2;15*1H2;;;;;;;;;/q-3;;;;;;;;;;;;;;;;;;;+2;4*+3;+4/p-15/t5-,6+,7+,8+;;;;;;;;;;;;;;;;;;;;;;;;/m0......................../s1 |
| InChIKey: | OAPMYOKMHVXLOA-RERAPKNWSA-A |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cn(cn1)C2C(C(C(O2)CO[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])O[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])[O] | | ACDLabs 12.01 | C1(C(O[V](O)(O)O)C(O[V](O)(O)O[V](O)(O)O[V](O)(O)O)C(CO[V](O)(O)O[V](O)(O)O)O1)n2ccnc2 | | OpenEye OEToolkits 2.0.7 | c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])O[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])[O] | | CACTVS 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[V]O[V]OC[CH]1O[CH]([CH](O[V])[CH]1O[V]O[V]O[V])n2ccnc2 | | CACTVS 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[V]O[V]OC[C@@H]1O[C@H]([C@H](O[V])[C@@H]1O[V]O[V]O[V])n2ccnc2 |
|
| Name: | [(2~{R},3~{R},4~{R},5~{S})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium |
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