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- ChemComp-5MU: 5-METHYLURIDINE 5'-MONOPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: 5MU
NameName: 5-methyluridine 5'-monophosphate

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Chemical information

Composition
Formula: C10H15N2O9P / Number of atoms: 37 / Formula weight: 338.208 / Formal charge: 0
Others

1evv

U

RT

Type: RNA LINKING / PDB classification: ATOMN / One letter code: U / Three letter code: 5MU / Model coordinates PDB-ID: 1EVV / Parent comp.: U / Replaces: RT
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 10.04O=C1NC(=O)N(C=C1C)C2OC(C(O)C2O)COP(=O)(O)O
CACTVS 3.341CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O

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SMILES CANONICAL

CACTVS 3.341CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)NC1=O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O

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InChI

InChI 1.03InChI=1S/C10H15N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1

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InChIKey

InChI 1.03IGWHDMPTQKSDTL-JXOAFFINSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-methyluridine 5'-(dihydrogen phosphate)
OpenEye OEToolkits 1.5.0[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

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PDB entries

Showing all 1 items

PDB-9hdz:
Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with 5-Methyluridine-5'-monophosphate (5-Methyl UMP)

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