BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Uridine 5'-Diphospho-N-Acetlyglucosamine

Graphical representations:

uridine_5_diphospho_N_acetlyglucosamine

View large 3D structure

Molecular Formula: C17H27N3O17P2

Natural Isotopic Abundance Mass: 607.3537020000

Mono-Isotopic Molecular Masses:

  • C12N14: 607.081569478
  • C13N14: 624.138601721
  • C12N15: 610.072674158
  • C13N15: 624.138601721

InChI string: InChI=1/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16+/m1/s1/f/h18-19,29,31H

IUPAC: [[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hydroxy-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid

PubChem Compound (CID): 10705
CAS Registry number: 16426-39-4 28508-02-3 528-04-1 5547-44-4 83332-40-5

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)