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- ChemComp-IOM: (DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: IOM
NameName: (diaminomethyl-methyl-amino)-acetic acid

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Chemical information

Composition
Formula: C4H11N3O2 / Number of atoms: 20 / Formula weight: 133.149 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: IOM
History
Create componentOct 17, 2002
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / PubChem / SureChEMBL / ZINC / 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 10.04O=C(O)CN(C)C(N)N
CACTVS 3.341CN(CC(O)=O)C(N)N
OpenEye OEToolkits 1.5.0CN(CC(=O)O)C(N)N

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SMILES CANONICAL

CACTVS 3.341CN(CC(O)=O)C(N)N
OpenEye OEToolkits 1.5.0CN(CC(=O)O)C(N)N

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InChI

InChI 1.03InChI=1S/C4H11N3O2/c1-7(4(5)6)2-3(8)9/h4H,2,5-6H2,1H3,(H,8,9)

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InChIKey

InChI 1.03YNHURFGTTODJOO-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-(diaminomethyl)-N-methylglycine
OpenEye OEToolkits 1.5.02-(diaminomethyl-methyl-amino)ethanoic acid

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PDB entries

Showing all 3 items

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Crystal structure of Creatine-ADP arginine kinase ternary complex

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Transition state analog complex of muscle creatine kinase (R134K) mutant

PDB-1vrp:
The 2.1 Structure of T. californica Creatine Kinase Complexed with the Transition-State Analogue Complex, ADP-Mg 2+ /NO3-/Creatine

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