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:

UTP image

Molecular Formula: C9 H15 N2 O15 P3

Natural Isotopic Abundance Mass: 484.1410830000

Mono-Isotopic Molecular Masses:

  • C12N14: 483.968527353
  • C13N14: 492.998720894
  • C12N15: 485.96259714
  • C13N15: 494.99279068

InCHi String:

canonical SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=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]oxy-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]oxy-hydroxy-phosphoryl]oxyphosphonic acid

PubChem Substance (SID):   85165099   149028   3375
PubChem Compound (CID):   6133
KEGG: Compound ID   C00075
CAS Registry IDs:   63-39-8
PDB Chemical Component   UTP
Miscellaneous Databases and IDs:   ChemIDplus 000063398   EINECS 200-558-7   Beilstein Handbook Reference 4-24-00-01222

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.