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- ChemComp-H2U: 5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: H2U
NameName: 5,6-dihydrouridine-5'-monophosphate

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Chemical information

Composition
Formula: C9H15N2O9P / Number of atoms: 36 / Formula weight: 326.197 / Formal charge: 0
Others

1evv

U

DHU

Type: RNA LINKING / PDB classification: ATOMN / One letter code: U / Three letter code: H2U / Model coordinates PDB-ID: 1EVV / Parent comp.: U / Replaces: DHU
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=C1N(CCC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2CCC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O

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SMILES CANONICAL

CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2CCC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1CN(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/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4,6-8,13-14H,1-3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

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InChIKey

InChI 1.03NBWDKGJHOHJBRJ-XVFCMESISA-N

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SYSTEMATIC NAME

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

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PDB entries

Showing all 5 items

PDB-2v0j:
Characterization of Substrate Binding and Catalysis of the Potential Antibacterial Target N-acetylglucosamine-1-phosphate Uridyltransferase (GlmU)

PDB-3g1h:
Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 5,6-dihydrouridine 5'-monophosphate

PDB-4o8r:
Crystal structure of orotidine 5'-monophosphate decarboxylase from methanobacterium thermoautotrophicum complexed with 5,6-dihydrouridine 5'-monophosphate

PDB-5in3:
Crystal structure of glucose-1-phosphate bound nucleotidylated human galactose-1-phosphate uridylyltransferase

PDB-6gqd:
Structure of human galactose-1-phosphate uridylyltransferase (GALT), with crystallization epitope mutations A21Y:A22T:T23P:R25L

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