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- ChemComp-UUA: uridine uronic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: UUA
NameName: uridine uronic acid

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Chemical information

Composition
Formula: C9H10N2O7 / Number of atoms: 28 / Formula weight: 258.185 / Formal charge: 0
Others

5oo5

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: UUA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5OO5
History
Create componentAug 5, 2017
Initial releaseAug 23, 2017
External linksUniChem / ChemSpider / Brenda / PubChem / SureChEMBL / 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 3.385O[CH]1[CH](O)[CH](O[CH]1N2C=CC(=O)NC2=O)C(O)=O
OpenEye OEToolkits 2.0.6C1=CN(C(=O)NC1=O)C2C(C(C(O2)C(=O)O)O)O

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SMILES CANONICAL

CACTVS 3.385O[C@@H]1[C@H](O)[C@H](O[C@H]1N2C=CC(=O)NC2=O)C(O)=O
OpenEye OEToolkits 2.0.6C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)O)O)O

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InChI

InChI 1.03InChI=1S/C9H10N2O7/c12-3-1-2-11(9(17)10-3)7-5(14)4(13)6(18-7)8(15)16/h1-2,4-7,13-14H,(H,15,16)(H,10,12,17)/t4-,5+,6-,7+/m0/s1

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InChIKey

InChI 1.03BMDRRZMODBSOPT-BNHYGAARSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolane-2-carboxylic acid

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PDB entries

Showing all 1 items

PDB-5oo5:
Streptomyces PAC13 with uridine uronic acid

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