ChEBI


 11 11  0  0  1  0  0  0  0  0  1 V2000
   12.7536  -16.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7536  -18.0944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6019  -16.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6019  -18.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4501  -16.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4501  -18.0944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6019  -20.0893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2983  -16.0994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9054  -16.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9054  -14.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0572  -16.7644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  2  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
  1  9  1  0  0  0  0
M  END
> <ID>
CHEBI:17025

> <NAME>
(S)-dihydroorotic acid

> <DEFINITION>
The (S)-enantiomer of dihydroorotic acid that is an intermediate in the metabolism of pyridine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42132; CHEBI:417; CHEBI:18778

> <SYNONYM>
L-Dihydroorotic acid; Dihydro-L-orotic acid; (S)-4,5-dihydroorotic acid

> <IUPAC_NAME>
(4S)-2,6-dioxohexahydropyrimidine-4-carboxylic acid

> <FORMULA>
C5H6N2O4

> <MASS>
158.11222

> <MONOISOTOPIC_MASS>
158.03276

> <CHARGE>
0

> <SMILES>
OC(=O)[C@@H]1CC(=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)/t2-/m0/s1

> <INCHIKEY>
UFIVEPVSAGBUSI-REOHCLBHSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
83957

> <CAS_REGISTRY_NUMBER>
5988-19-2

> <GMELIN_REGISTRY_NUMBER>
1473795

> <REAXYS_REGISTRY_NUMBER>
83957

> <KEGG_COMPOUND_ACCESSION>
C00337

> <KNAPSACK_ACCESSION>
C00007302

> <METACYC_ACCESSION>
DI-H-OROTATE

> <PDBECHEM_ACCESSION>
DOR

> <PUBMED_CITATION>
3089167

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