Biological Magnetic Resonance Data Bank

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

L-Dihydroorotic Acid

Graphical representations:


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Molecular Formula: C5H6N2O4

Natural Isotopic Abundance Mass: 158.11214

Mono-Isotopic Molecular Masses:

  • C12N14: 158.0327566914
  • C13N14: 163.0495308804
  • C12N15: 160.0268264778
  • C13N15: 165.0436006668

InChI string: InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1

PubChem Compound (CID): 439216
CAS Registry number: 5988-19-2
Sigma-Aldrich: D7128_SIGMA
ChEBI: CHEBI:17025
MMDB: 59956.5
DrugBank: EXPT01249
KEGG Compound ID: C00337
PDB Compound ID: DOR

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,