Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

DMO : Summary

Code

DMO

One-letter code

X

Molecule name

ALPHA-DIFLUOROMETHYLORNITHINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(difluoromethyl)-L-ornithine
OpenEye OEToolkits 1.5.0 2,5-diamino-2-(difluoromethyl)pentanoic acid

Formula

C6 H12 F2 N2 O2

Formal charge

0

Molecular weight

182.168 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 FC(F)C(N)(C(=O)O)CCCN
SMILES CACTVS 3.341 NCCC[C](N)(C(F)F)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CC(C(F)F)(C(=O)O)N)CN
Canonical SMILES CACTVS 3.341 NCCC[C@@](N)(C(F)F)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CC(C(F)F)(C(=O)O)N)CN

IUPAC InChI

InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/t6-/m1/s1

IUPAC InChI key

VLCYCQAOQCDTCN-ZCFIWIBFSA-N
DMO

wwPDB Information

Atom count

24 (12 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