Biological Magnetic Resonance Data Bank

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


Graphical representations:

Uridine image

View large 3D structure

Molecular Formula: C9 H12 N2 O6

Natural Isotopic Abundance Mass: 244.2013800000

Mono-Isotopic Molecular Masses:

  • C12N14: 244.069536128
  • C13N14: 253.099729668
  • C12N15: 246.063605915
  • C13N15: 255.0937994548

InChI String: InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1

isomeric SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

canonical SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O

IUPAC: IUPAC systematic

IUPAC traditional

IUPAC cas: IUPAC openeye

PubChem Substance (SID):   85164984   148890   3593
PubChem Compound (CID):   6029
KEGG: Compound ID   C00299
CAS Registry IDs:   12693-39-9   58-96-8   68184-15-6
PDB Chemical Component   URI
Miscellaneous Databases and IDs:   CHEBI 16704   EINECS 200-407-5   NSC 20256

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,