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- ChemComp-MMU: 1,3-dimethylurea -

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Basic information

EntryDatabase: PDB chemical components / ID: MMU
NameName: 1,3-dimethylurea

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Chemical information

Composition
Formula: C3H8N2O / Number of atoms: 14 / Formula weight: 88.108 / Formal charge: 0
Others

3k3g

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MMU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3K3G
History
Create componentOct 7, 2009
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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 11.02O=C(NC)NC
CACTVS 3.352CNC(=O)NC
OpenEye OEToolkits 1.7.0CNC(=O)NC

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SMILES CANONICAL

CACTVS 3.352CNC(=O)NC
OpenEye OEToolkits 1.7.0CNC(=O)NC

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InChI

InChI 1.03InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)

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InChIKey

InChI 1.03MGJKQDOBUOMPEZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 11.021,3-dimethylurea
OpenEye OEToolkits 1.6.11,3-dimethylurea

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PDB entries

Showing all 1 items

PDB-3k3g:
Crystal Structure of the Urea Transporter from Desulfovibrio Vulgaris Bound to 1,3-dimethylurea

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