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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UDP glucuronate

Graphical representations:

UDP glucuronate image

Molecular Formula: C15 H22 N2 O18 P2

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

canonical SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O

IUPAC: IUPAC systematic
(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

IUPAC traditional: IUPAC openeye: IUPAC cas
(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

PubChem Substance (SID):   85165096   160632   3467
PubChem Compound (CID):   17473
KEGG: Compound ID   C00167
CAS Registry IDs:   2616-64-0   3545-73-1   5918-40-1   14520-48-0   30329-32-9
PDB Chemical Component   UGA
Miscellaneous Databases and IDs:   ChemIDplus 002616640

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.