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- ChemComp-6MU: 6-methylpyrimidine-2,4-diol -

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Basic information

EntryDatabase: PDB chemical components / ID: 6MU
NameName: 6-methylpyrimidine-2,4-diol

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Chemical information

Composition
Formula: C5H6N2O2 / Number of atoms: 15 / Formula weight: 126.113 / Formal charge: 0
Others

4k6o

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6MU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4K6O
History
Create componentApr 24, 2013
Modify nameMay 22, 2013
Modify formulaMay 22, 2013
Initial releaseMay 7, 2014
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / Metabolights / 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 12.01Oc1nc(O)nc(c1)C
CACTVS 3.370Cc1cc(O)nc(O)n1
OpenEye OEToolkits 1.7.6Cc1cc(nc(n1)O)O

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SMILES CANONICAL

CACTVS 3.370Cc1cc(O)nc(O)n1
OpenEye OEToolkits 1.7.6Cc1cc(nc(n1)O)O

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InChI

InChI 1.03InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)

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InChIKey

InChI 1.03SHVCSCWHWMSGTE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-methylpyrimidine-2,4-diol
OpenEye OEToolkits 1.7.66-methylpyrimidine-2,4-diol

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PDB entries

Showing all 1 items

PDB-4k6o:
X-ray structure uridine phosphorylase from Vibrio cholerae in complex with 6-methyluracil at 1.17 A resolution

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