Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Molecule Descriptors

 Molecule : PMP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
2 InChIKey InChI 1.03 ZMJGSOSNSPKHNH-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=P(O)(O)OCc1cnc(c(O)c1CN)C
4 SMILES CACTVS 3.341 Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
5 SMILES OpenEye OEToolkits 1.5.0 Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
6 Canonical SMILES CACTVS 3.341 Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c(c(c(cn1)COP(=O)(O)O)CN)O