ChEBI


 11 11  0  0  0  0  0  0  0  0  1 V2000
   10.1333   -6.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4816   -6.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7885   -6.9541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1299   -5.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4816   -7.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7885   -7.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7781   -5.4541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4781   -5.4575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1333   -8.0955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8298   -8.0851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4402   -8.0851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6  9  1  0  0  0  0
M  END
> <ID>
CHEBI:30865

> <NAME>
dihydroorotic acid

> <DEFINITION>
A pyrimidinemonocarboxylic acid that results from the base-catalysed cyclisation of Nα-carbethoxyasparagine.

> <STAR>
3

> <SYNONYM>
Hydroorotic acid; DL-dihydroortotic acid; 5,6-dihydro-orotic acid; 4,5-dihydroorotic acid

> <IUPAC_NAME>
2,6-dioxohexahydropyrimidine-4-carboxylic acid

> <FORMULA>
C5H6N2O4

> <MASS>
158.11222

> <MONOISOTOPIC_MASS>
158.03276

> <CHARGE>
0

> <SMILES>
OC(=O)C1CC(=O)NC(=O)N1

> <INCHI>
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)

> <INCHIKEY>
UFIVEPVSAGBUSI-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
155267

> <CAS_REGISTRY_NUMBER>
155-54-4

> <REAXYS_REGISTRY_NUMBER>
83959

> <CHEMIDPLUS>
155-54-4

> <DRUGBANK_ACCESSION>
DB02129

> <WIKIPEDIA_ACCESSION>
4,5-Dihydroorotic_acid

$$$$