Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : UAH    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H10NO5P/c1-5-7(9)2-6(3-8-5)4-13-14(10,11)12/h2-3,9H,4H2,1H3,(H2,10,11,12)
2 InChIKey InChI 1.03 CKIPHKBHPIDPOG-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Cc1ncc(cc1O)COP(O)(O)=O
4 SMILES CACTVS 3.385 Cc1ncc(CO[P](O)(O)=O)cc1O
5 SMILES OpenEye OEToolkits 2.0.4 Cc1c(cc(cn1)COP(=O)(O)O)O
6 Canonical SMILES CACTVS 3.385 Cc1ncc(CO[P](O)(O)=O)cc1O
7 Canonical SMILES OpenEye OEToolkits 2.0.4 Cc1c(cc(cn1)COP(=O)(O)O)O