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4,5-Dihydroorotic acid (PC000405)

Record Information
Version1.0
Creation date2015-10-09 22:30:28 UTC
Update date2017-01-19 02:36:22 UTC
FoodComEx IDPC000405
FoodDB RecordFDB022096
Chemical Information
Name4,5-Dihydroorotic acid
Description4,5-Dihydroorotic acid is a substrate of the enzyme orotate reductase [EC 1.3.1.14], which is part of the pyrimidine metabolism pathway. (KEGG) Dihydroorotate is oxidized by Dihydroorotate dehydrogenases (DHODs) to orotate. These dehydrogenases use their FMN (flavin mononucleotide) prosthetic group to abstract a hydride equivalent from C6 to deprotonate C5 [HMDB]
CAS Number155-54-4
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
SynonymSource
(+)-2,6-dioxo-hexahydro-pyrimidine-4-carboxylatehmdb
(+)-2,6-dioxo-hexahydro-pyrimidine-4-carboxylic acidhmdb
(R)-2,6-dioxo-hexahydro-pyrimidine-4-carboxylatehmdb
(R)-2,6-dioxo-hexahydro-pyrimidine-4-carboxylic acidhmdb
(S)-2,6-dioxo-hexahydro-pyrimidine-4-carboxylatehmdb
(S)-2,6-dioxo-hexahydro-pyrimidine-4-carboxylic acidhmdb
2,6-dioxo-hexahydro-pyrimidine-4-carboxylatehmdb
2,6-dioxo-hexahydro-pyrimidine-4-carboxylic acidhmdb
4,5-Dihydroorotatehmdb
4,5-Dihydroorotic acidhmdb
5,6-dihydro-OrotateGenerator
5,6-dihydro-Orotic acidChEBI
5,6-Dihydroorotatehmdb
DL-DihydroortotateGenerator
DL-Dihydroortotic acidChEBI
HydroorotateGenerator
Hydroorotic acidChEBI
L-hydroorotatehmdb
L-hydroorotic acidhmdb
R,S-Hydroorotatehmdb
Chemical FormulaC5H6N2O4
IUPAC name2,6-dioxo-1,3-diazinane-4-carboxylic acid
InChI IdentifierInChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)
InChI KeyUFIVEPVSAGBUSI-UHFFFAOYSA-N
Isomeric SMILESOC(=O)C1CC(=O)NC(=O)N1
Average Molecular Weight158.1121
Monoisotopic Molecular Weight158.03275669
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids and derivatives
Alternative Parents
Substituents
  • Alpha-amino acid or derivatives
  • N-acyl urea
  • Pyrimidone
  • Ureide
  • 1,3-diazinane
  • Pyrimidine
  • Dicarboximide
  • Urea
  • Carbonic acid derivative
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 5 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Toronto Research Chemicals D449970