Chemical Components in the PDB

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DMG : Summary

Code

DMG

One-letter code

X

Molecule name

N,N-DIMETHYLGLYCINE

Synonyms

DIMETHYLGLYCINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N,N-dimethylglycine
OpenEye OEToolkits 1.5.0 2-dimethylaminoethanoic acid

Formula

C4 H9 N O2

Formal charge

0

Molecular weight

103.12 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CN(C)C
SMILES CACTVS 3.341 CN(C)CC(O)=O
SMILES OpenEye OEToolkits 1.5.0 CN(C)CC(=O)O
Canonical SMILES CACTVS 3.341 CN(C)CC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CN(C)CC(=O)O

IUPAC InChI

InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)

IUPAC InChI key

FFDGPVCHZBVARC-UHFFFAOYSA-N
DMG

wwPDB Information

Atom count

16 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-03-20

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned