ChemComp-UBD: URIDINE 3',5'-BIS(DIHYDROGEN PHOSPHATE)

Basic information

• Entry: Database: PDB chemical components / ID: UBD
• Name: Name: uridine 3',5'-bis(dihydrogen phosphate)

Chemical information

Composition

Formula: C₉H₁₄N₂O₁₂P₂ / Number of atoms: 39 / Formula weight: 404.161 / Formal charge: 0

Others

U

Type: RNA LINKING / PDB classification: ATOMN / One letter code: U / Three letter code: UBD / Ideal coordinates details: Corina V3.40 / Parent comp.: U

History

Create component	Jun 7, 2007
Modify descriptor	Jun 4, 2011
Initial release	Mar 27, 2013

• External links: UniChem / ChemSpider / Brenda / Nikkaji / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search

Details

SMILES

• ACDLabs 10.04: O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2O)COP(=O)(O)O
• CACTVS 3.341: O[CH]1[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O
• OpenEye OEToolkits 1.5.0: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)O)O

SMILES CANONICAL

• CACTVS 3.341: O[C@@H]1[C@H](O[P](O)(O)=O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O
• OpenEye OEToolkits 1.5.0: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)O

InChI

• InChI 1.03: InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(14)10-5)8-6(13)7(23-25(18,19)20)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,13H,3H2,(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1

InChIKey

• InChI 1.03: ZPVPRWPOZBXDKD-XVFCMESISA-N

SYSTEMATIC NAME

• ACDLabs 10.04: uridine 3',5'-bis(dihydrogen phosphate)
• OpenEye OEToolkits 1.5.0: [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl dihydrogen phosphate

PDB entries

Showing all 2 items

PDB-4j7l:
Crystal structure of mouse DXO in complex with PRODUCT RNA AND two MAGNESIUM ions

PDB-4j7m:
Crystal structure of mouse DXO in complex with substrate mimic RNA and calcium ion