Chemical Components in the PDB

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MOH : Summary

Code

MOH

One-letter code

X

Molecule name

METHANOL

Systematic names

ProgramVersionName
ACDLabs 11.02 methanol
OpenEye OEToolkits 1.6.1 methanol

Formula

C H4 O

Formal charge

0

Molecular weight

32.042 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 OC
SMILES CACTVS 3.352 CO
SMILES OpenEye OEToolkits 1.7.0 CO
Canonical SMILES CACTVS 3.352 CO
Canonical SMILES OpenEye OEToolkits 1.7.0 CO

IUPAC InChI

InChI=1S/CH4O/c1-2/h2H,1H3

IUPAC InChI key

OKKJLVBELUTLKV-UHFFFAOYSA-N
MOH

wwPDB Information

Atom count

6 (2 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned