Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : SVA    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H6NO3.H2O.3O.V/c4-2(1-5)3(6)7;;;;;/h2H,1,4H2,(H,6,7);1H2;;;;/q-1;;3*-1;+2/p-1/t2-;;;;;/m0...../s1
2 InChIKey InChI 1.03 SYKYEBJDHHGBFL-PUAMRSTPSA-M
3 SMILES ACDLabs 10.04 [O-][V]([O-])([O-])(O)OCC(N)C(=O)O
4 SMILES CACTVS 3.341 N[CH](CO[V](O)([O-])([O-])[O-])C(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)N)O[V](O)([O-])([O-])[O-]
6 Canonical SMILES CACTVS 3.341 N[C@@H](CO[V](O)([O-])([O-])[O-])C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H](C(=O)O)N)O[V](O)([O-])([O-])[O-]