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- ChemComp-DMO: ALPHA-DIFLUOROMETHYLORNITHINE -

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Basic information

EntryDatabase: PDB chemical components / ID: DMO
NameName: alpha-difluoromethylornithine

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Chemical information

Composition
Formula: C6H12F2N2O2 / Number of atoms: 24 / Formula weight: 182.168 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: DMO
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

CACTVS 3.341NCCC[C@@](N)(C(F)F)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(C(F)F)(C(=O)O)N)CN

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03VLCYCQAOQCDTCN-ZCFIWIBFSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-(difluoromethyl)-L-ornithine
OpenEye OEToolkits 1.5.02,5-diamino-2-(difluoromethyl)pentanoic acid

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PDB entries

Showing all 3 items

PDB-2tod:
ORNITHINE DECARBOXYLASE FROM TRYPANOSOMA BRUCEI K69A MUTANT IN COMPLEX WITH ALPHA-DIFLUOROMETHYLORNITHINE

PDB-3gn0:
Crystal structure of human arginase I in complex with difluoromethylornithine (DFMO)

PDB-9fos:
The structure of ornithine decarboxylase from Leishmania infantum in complex with PLP and DFMO

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