BMRB

Biological Magnetic Resonance Data Bank


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

3-deazauridine

3-deazauridine bmse000731 - Data bmse001022 - Data

3_deazauridine synonyms

DeazaUrd; DAU; 2,4(1H,3H)-Pyridinedione, 1-.beta.-D-ribofuranosyl-; 3-DEAZAURIDINE

Wikipedia:

Graphical representations:

3_deazauridine

View large 3D structure

Molecular Formula: C10H13NO6

Natural Isotopic Abundance Mass: 243.21332

Mono-Isotopic Molecular Masses:

  • C12N14: 243.0742871551
  • C13N14: 253.1078355331
  • C12N15: 244.0713220483
  • C13N15: 254.1048704263

InChI string: InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-2,6,8-10,12,15-16H,3-4H2/t6-,8-,9-,10-/m1/s1

PubChem Compound (CID): 277822
CAS Registry number: 39935-49-4
DTP/NCI: 126849
NIST: 4081606956
MMCD: cq_15972
CAS Registry number: 2305-42-7
PDB Compound ID: URD

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)