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- ChemComp-MGX: 1-METHYLGUANIDINE -

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Basic information

EntryDatabase: PDB chemical components / ID: MGX
NameName: 1-methylguanidine

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Chemical information

Composition
Formula: C2H7N3 / Number of atoms: 12 / Formula weight: 73.097 / Formal charge: 0
Others

2f47

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MGX / Model coordinates PDB-ID: 2F47
History
Create componentFeb 10, 2006
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 10.04[N@H]=C(N)NC
CACTVS 3.341CNC(N)=N
OpenEye OEToolkits 1.5.0[H]N=C(N)NC

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SMILES CANONICAL

CACTVS 3.341CNC(N)=N
OpenEye OEToolkits 1.5.0[H]/N=C(/N)\NC

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InChI

InChI 1.03InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)

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InChIKey

InChI 1.03CHJJGSNFBQVOTG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-methylguanidine
OpenEye OEToolkits 1.5.01-methylguanidine

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PDB entries

Showing all 6 items

PDB-2f47:
Xray crystal structure of T4 lysozyme mutant L20/R63A liganded to methylguanidinium

PDB-2xdq:
Dark Operative Protochlorophyllide Oxidoreductase (ChlN-ChlB)2 Complex

PDB-3a6d:
Creatininase complexed with 1-methylguanidine

PDB-5nep:
The structure of the G. violaceus guanidine II riboswitch P1 stem-loop with methylguanidine

PDB-5nz3:
The structure of the thermobifida fusca guanidine III riboswitch with methylguanidine

PDB-6c1m:
NavAb NormoPP mutant

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