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- ChemComp-D3Z: 1-(5-deoxy-beta-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione -

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Basic information

EntryDatabase: PDB chemical components / ID: D3Z
NameName: 1-(5-deoxy-beta-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione

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Chemical information

Composition
Formula: C9H12N2O5 / Number of atoms: 28 / Formula weight: 228.202 / Formal charge: 0
Others

3d3z

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: D3Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3D3Z
History
Create componentMay 14, 2008
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / PubChem / 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=C1)C2OC(C(O)C2O)C
CACTVS 3.341C[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0CC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O

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SMILES CANONICAL

CACTVS 3.341C[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@@H]([C@H](O1)N2C=CC(=O)NC2=O)O)O

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InChI

InChI 1.03InChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6+,7-,8-/m0/s1

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InChIKey

InChI 1.03WUBAOANSQGKRHF-UCVXFZOQSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-(5-deoxy-beta-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.5.01-[(2S,3S,4S,5S)-3,4-dihydroxy-5-methyl-oxolan-2-yl]pyrimidine-2,4-dione

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PDB entries

Showing all 1 items

PDB-3d3z:
Crystal structure of Actibind a T2 RNase

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