| PDB CCD ID: | VSU |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H30 N3 O13 V3 |
| InChI: | InChI=1S/3C8H11NO2.H2O.6O.3V/c3*1-3-6-8(11)7(10)4-5-9(6)2;;;;;;;;;;/h3*4-5,11H,3H2,1-2H3;1H2;;;;;;;;;/q;;;;;;;;;;2*+5;+6/p-3 |
| InChIKey: | LBUGGDQMXYMIIZ-UHFFFAOYSA-K |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O.CCC1=C2O[V+5]3(=O)(O[V+5]4(=O)O[V+5]5(=O)(OC6=C(CC)N(C)C=CC6=[O-]5)(O3)[O]4=C7C=C[N+](C)C(=C7[O-])CC)[O-]=C2C=CN1C | | OpenEye OEToolkits 2.0.7 | CCC1=C2C(=[O-][V+5]3(=O)(O2)O[V+5]45(=O)([O-]C6=C([N+](C=CC6=O4[V+5]7(=O)(O3)(O5)[O-]=C8C=CN(C(=C8O7)CC)C)C)CC)[O])C=CN1C |
|
| Name: | tris-[(1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)]-V(V)3O7 |
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