BMRB

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:

L-Dihydroorotic acid image

Molecular Formula: C5 H6 N2 O4

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

canonical SMILES: C1C(NC(=O)NC1=O)C(=O)O

isomeric SMILES: C1[C@H](NC(=O)NC1=O)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
(4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid

PUBCHEM iupac TRADITIONAL NAME
(4S)-2,6-diketohexahydropyrimidine-4-carboxylic acid

PUBCHEM iupac OPENEYE NAME
(4S)-2,6-dioxohexahydropyrimidine-4-carboxylic acid

PUBCHEM iupac CAS NAME
(4S)-2,6-dioxo-4-hexahydropyrimidinecarboxylic acid

PubChem Substance (SID):   85165142   29209873   26738150
PubChem Compound (CID):   439216
KEGG: Compound ID   C00337
CAS Registry IDs:   5988-19-2
PDB Chemical Component   DOR
Miscellaneous Databases and IDs:   Sigma-Aldrich D7128_SIGMA   ChEBI CHEBI:17025   MMDB 59956.5   DrugBank EXPT01249

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.