Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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UDP Glucuronate

Graphical representations:


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Molecular Formula: C15H22N2O18P2

Natural Isotopic Abundance Mass: 580.2853020000

Mono-Isotopic Molecular Masses:

  • C12N14: 580.034284934
  • C13N14: 595.084607501
  • C12N15: 582.028354721
  • C13N15: 597.0786772878

InChI string: InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1

IUPAC: (2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid

PubChem Compound (CID): 17473
KEGG Compound ID: C00167
ChemIDplus: 002616640
CAS Registry number: 2616-64-0 3545-73-1 5918-40-1 14520-48-0 30329-32-9
PDB Compound ID: UGA

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,