Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


Graphical representations:

UDP image

Molecular Formula: C9 H14 N2 O12 P2

Natural Isotopic Abundance Mass: 404.1611820000

Mono-Isotopic Molecular Masses:

  • C12N14: 404.002196945
  • C13N14: 413.032390485
  • C12N15: 405.996266731
  • C13N15: 415.0264602716

InCHi String:

canonical SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O

IUPAC: IUPAC systematic
[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid

IUPAC traditional: IUPAC openeye: IUPAC cas
[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid

PubChem Substance (SID):   85165072   148892   3317
PubChem Compound (CID):   6031
KEGG: Compound ID   C00015
CAS Registry IDs:   58-98-0
PDB Chemical Component   UDP
Miscellaneous Databases and IDs:   ChemIDplus 000058980   EINECS 200-409-6

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.