bmse000342 L-Dihydroorotic acid at BMRB

L-Dihydroorotic acid

(S)-4,5-dihydroorotic acid; Dihydro-L-orotic acid; DOR; L-Dihydroorotic acid; Dihydroorotic Acid; L-Dihydroorotate; 2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid; (S)-Dihydroorotate; (S)-4,5-Dihydroorotate; L-Hydroorotic acid; (S)-dihydroorotic acid

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

L-Dihydroorotic acid

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.