| PDB CCD ID: | 6BR |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C4 H8 N O7 V |
| InChI: | InChI=1S/C4H8NO3.4O.V/c1-2(6)3(5)4(7)8;;;;;/h2-3H,5H2,1H3,(H,7,8);;;;;/q-1;;3*-1;+1/t2-,3+;;;;;/m1...../s1 |
| InChIKey: | SQLQLYFUDRNKTK-YEICSIFDSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | NC(C(O[V]([O-])(=O)([O-])[O-])C)C(O)=O | | OpenEye OEToolkits 2.0.4 | C[C@H]([C@@H](C(=O)O)N)O[V](=O)([O-])([O-])[O-] | | CACTVS 3.385 | C[C@@H](O[V]([O-])([O-])([O-])=O)[C@H](N)C(O)=O | | CACTVS 3.385 | C[CH](O[V]([O-])([O-])([O-])=O)[CH](N)C(O)=O | | OpenEye OEToolkits 2.0.4 | CC(C(C(=O)O)N)O[V](=O)([O-])([O-])[O-] |
|
| Name: | threoninevanadate |
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