Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PLP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
2 InChIKey InChI 1.03 NGVDGCNFYWLIFO-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=P(O)(O)OCc1cnc(c(O)c1C=O)C
4 SMILES CACTVS 3.341 Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
5 SMILES OpenEye OEToolkits 1.5.0 Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
6 Canonical SMILES CACTVS 3.341 Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O