BMRB

Biological Magnetic Resonance Data Bank


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

UTP

Graphical representations:

UTP

View large 3D structure

Molecular Formula: C9H15N2O15P3

Natural Isotopic Abundance Mass: 484.1410830000

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1/f/h10,16-17,19,21H

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

PubChem Compound (CID): 6133
KEGG Compound ID: C00075
ChemIDplus: 000063398
CAS Registry number: 63-39-8
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.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)