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- ChemComp-ANU: 2,2'-Anhydro-(1-beta-D-arabinofuranosyl)uracil -

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Basic information

EntryDatabase: PDB chemical components / ID: ANU
NameName: 2,2'-Anhydro-(1-beta-D-arabinofuranosyl)uracil / Synonyms: Anhydrouridine; 2,2'-ANHYDROURIDINE; CYCLOURIDINE

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Chemical information

Composition
Formula: C9H10N2O5 / Number of atoms: 26 / Formula weight: 226.186 / Formal charge: 0
Others

1zl2

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ANU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1ZL2
History
Create componentDec 14, 2004
Modify descriptorJun 4, 2011
Other modificationOct 9, 2017
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Brenda / ChEMBL / ChemicalBook / DrugBank / 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

CACTVS 3.385OC[CH]1O[CH]2[CH](OC3=NC(=O)C=CN23)[CH]1O
OpenEye OEToolkits 2.0.6C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O

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SMILES CANONICAL

CACTVS 3.385OC[C@H]1O[C@@H]2[C@@H](OC3=NC(=O)C=CN23)[C@@H]1O
OpenEye OEToolkits 2.0.6C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O

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InChI

InChI 1.03InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1

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InChIKey

InChI 1.03UUGITDASWNOAGG-CCXZUQQUSA-N

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PDB entries

Showing all 5 items

PDB-1zl2:
Crystal structure of the uridine phosphorylase from Salmonella typhimurium in complex with 2,2'-anhydrouridine and phosphate ion at 1.85A resolution

PDB-2oec:
Crystal structure of the uridine phosphorylase from Salmonella typhimurium in complex with 2,2'-anhydrouridine and potassium ion at 2.194A resolution

PDB-2pga:
X-ray Structure of the Uridine Phosphorylase From SALMONELLA TYPHIMURIUM in Complex with Inhibitor and Phosphate and Potassium Ion at 1.74 A Resolution

PDB-3c74:
X-ray structure of the uridine phosphorylase from salmonella typhimurium in complex with 2,2'-anhydrouridine at 2.38a resolution

PDB-3fwp:
X-ray structure of uridine nucleoside phosphorylease from Salmonella typhimurium complexed with phosphate and its inhibitor 2,2'-anhydrouridine at 1.86 A resolution

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