Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : 2PG    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
2 InChIKey InChI 1.03 GXIURPTVHJPJLF-UWTATZPHSA-N
3 SMILES ACDLabs 10.04 O=P(O)(O)OC(C(=O)O)CO
4 SMILES CACTVS 3.341 OC[CH](O[P](O)(O)=O)C(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)OP(=O)(O)O)O
6 Canonical SMILES CACTVS 3.341 OC[C@@H](O[P](O)(O)=O)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@H](C(=O)O)OP(=O)(O)O)O