Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 5TX    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H10NO6P/c1-5(13(10,11)12)2-3(7)6(9)4(5)8/h3,7,9H,2H2,1H3,(H2,10,11,12)/t3-,5-/m0/s1
2 InChIKey InChI 1.03 VVBLYPMICKYZTP-UCORVYFPSA-N
3 SMILES CACTVS 3.385 C[C]1(C[CH](O)N(O)C1=O)[P](O)(O)=O
4 SMILES OpenEye OEToolkits 2.0.4 CC1(CC(N(C1=O)O)O)P(=O)(O)O
5 Canonical SMILES CACTVS 3.385 C[C@@]1(C[C@H](O)N(O)C1=O)[P](O)(O)=O
6 Canonical SMILES OpenEye OEToolkits 2.0.4 C[C@@]1(C[C@@H](N(C1=O)O)O)P(=O)(O)O