Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 00C    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m1/s1
2 InChIKey InChI 1.03 XVOYSCVBGLVSOL-UWTATZPHSA-N
3 SMILES ACDLabs 10.04 O=C(O)C(N)CS(=O)(=O)O
4 SMILES CACTVS 3.341 N[CH](C[S](O)(=O)=O)C(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)N)S(=O)(=O)O
6 Canonical SMILES CACTVS 3.341 N[C@H](C[S](O)(=O)=O)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@H](C(=O)O)N)S(=O)(=O)O