Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Molecule Descriptors

 Molecule : MOH    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/CH4O/c1-2/h2H,1H3
2 InChIKey InChI 1.03 OKKJLVBELUTLKV-UHFFFAOYSA-N
3 SMILES ACDLabs 11.02 OC
4 SMILES CACTVS 3.352 CO
5 SMILES OpenEye OEToolkits 1.7.0 CO
6 Canonical SMILES CACTVS 3.352 CO
7 Canonical SMILES OpenEye OEToolkits 1.7.0 CO