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- ChemComp-5UD: 5-FLUOROURIDINE -

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Basic information

EntryDatabase: PDB chemical components / ID: 5UD
NameName: 5-fluorouridine

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Chemical information

Composition
Formula: C9H11FN2O6 / Number of atoms: 29 / Formula weight: 262.192 / Formal charge: 0
Others

1rxc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5UD / Model coordinates PDB-ID: 1RXC
History
Create componentDec 19, 2003
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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 10.04FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)CO
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)N2C=C(F)C(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F

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SMILES CANONICAL

CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F

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InChI

InChI 1.03InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1

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InChIKey

InChI 1.03FHIDNBAQOFJWCA-UAKXSSHOSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-fluorouridine
OpenEye OEToolkits 1.5.01-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidine-2,4-dione

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PDB entries

Showing all 4 items

PDB-1rxc:
E. COLI uridine phosphorylase: 5-fluorouracil ribose-1-phosphate complex

PDB-1tgv:
Structure of E. coli Uridine Phosphorylase complexed with 5-Fluorouridine and sulfate

PDB-4a7s:
Structure of human I113T SOD1 mutant complexed with 5-Fluorouridine in the p21 space group

PDB-4pb2:
Structure of vcCNT-7C8C bound to 5-fluorouridine

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