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- ChemComp-UVC: URIDINE-2',3'-VANADATE -

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Basic information

EntryDatabase: PDB chemical components / ID: UVC
NameName: uridine-2',3'-vanadate

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Chemical information

Composition
Formula: C9H12N2O9V / Number of atoms: 33 / Formula weight: 343.141 / Formal charge: 0
Others

1ruv

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: UVC / Model coordinates PDB-ID: 1RUV
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=[V]1(OC2C(OC(C2O1)CO)N3C=CC(=O)NC3=O)(O)O
CACTVS 3.341OC[CH]1O[CH]([CH]2O[V](O)(O)(=O)O[CH]12)N3C=CC(=O)NC3=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C3C(C(O2)CO)O[V](=O)(O3)(O)O

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SMILES CANONICAL

CACTVS 3.341OC[C@H]1O[C@H]([C@@H]2O[V](O)(O)(=O)O[C@H]12)N3C=CC(=O)NC3=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O

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InChI

InChI 1.03InChI=1S/C9H10N2O6.2H2O.O.V/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;;;;/h1-2,4,6-8,12H,3H2,(H,10,13,16);2*1H2;;/q-2;;;;+4/p-2/t4-,6-,7-,8-;;;;/m1..../s1

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InChIKey

InChI 1.03JSPAHXDHRUTBDP-ODQFIEKDSA-L

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SYSTEMATIC NAME

ACDLabs 10.04dihydroxy(oxo)[uridinato(2-)-kappa~2~O~2'~,O~3'~]vanadium
OpenEye OEToolkits 1.5.01-[(1R,5R,6R,8R)-3,3-dihydroxy-6-(hydroxymethyl)-3-oxo-2,4,7-trioxa-3$l^{6}-vanadabicyclo[3.3.0]octan-8-yl]pyrimidine-2,4-dione

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PDB entries

Showing all 5 items

PDB-1jh7:
Semi-reduced Inhibitor-bound Cyclic Nucleotide Phosphodiesterase from Arabidopsis thaliana

PDB-1ruv:
RIBONUCLEASE A-URIDINE VANADATE COMPLEX: HIGH RESOLUTION RESOLUTION X-RAY STRUCTURE (1.3 A)

PDB-6rsa:
NUCLEAR MAGNETIC RESONANCE AND NEUTRON DIFFRACTION STUDIES OF THE COMPLEX OF RIBONUCLEASE*A WITH URIDINE VANADATE, A TRANSITION-STATE ANALOGUE

PDB-6yo1:
Crystal structure of ribonuclease A solved by vanadium SAD phasing

PDB-7k1l:
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-2',3'-Vanadate

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