Record Information
Version1.0
Creation date2015-10-09 22:28:38 UTC
Update date2017-01-19 02:36:13 UTC
FoodComEx IDPC000122
FoodDB RecordFDB012327
Chemical Information
NameOrotic acid
DescriptionOccurs in milk and other biol. systems. Salts used as dietary and mineral supplements Orotic acid is a heterocyclic compound and an acid; it is also known as pyrimidinecarboxylic acid. It was once believed to be part of the vitamin B complex and was called vitamin B13, but it is now known that it is not a vitamin but is instead manufactured in the body by intestinal flora. Orotic acid is found in milk and milk products.
CAS Number65-86-1
Structure
Thumb
Synonyms
SynonymSource
1,2,3,4-Tetrahydro-2,6-dioxopyrimidine-4-carboxylic acidbiospider
1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidecarboxylic acidHMDB
1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acidHMDB
1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid, 9CIdb_source
1,2,3,6-Tetrahydro-2,6-dioxopyrimidin-4-carbonsaeureHMDB
2,6-Dihydroxy-4-pyrimidinecarboxylic acidHMDB
2,6-Dihydroxypyrimidine-4-carboxylic acidbiospider
2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acidbiospider
2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acidbiospider
2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acidbiospider
2,6-dioxo-3H-pyrimidine-4-carboxylic acidbiospider
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-biospider
4-Pyrimidinecarboxylic acid, 2,6-dihydroxy-biospider
6-Carboxy-2,4-dihydroxypyrimidinebiospider
6-Carboxyuracilbiospider
6-Uracilcarboxylic acidbiospider
Acide orotiqueHMDB
Acido oroticoHMDB
Acidum oroticumHMDB
Animal galactose factorbiospider
LactiniumHMDB
MolkensaeureHMDB
OROHMDB
Orodinbiospider
Oropurbiospider
Orotatebiospider
Orotic acid, BAN, INNdb_source
Orotoninbiospider
Orotonsanbiospider
OrotsaeureChEBI
OrotsaureHMDB
Oroturicbiospider
Orotylbiospider
Pyrimidinecarboxylic acidmanual
Uracil-6-carbosaeureHMDB
Uracil-6-carboxylatebiospider
Uracil-6-carboxylic aciddb_source
Vitamin B13db_source
Whey factordb_source
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/2C5H4N2O4/c2*8-3-1-2(4(9)10)6-5(11)7-3/h2*1H,(H,9,10)(H2,6,7,8,11)
InChI KeyHTXAWQWIIRILGC-UHFFFAOYSA-N
Isomeric SMILESOC(=O)C1=CC(=O)NC(=O)N1.OC(=O)C1=NC(O)=NC(O)=C1
Average Molecular Weight312.1925
Monoisotopic Molecular Weight312.034213252
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrimidines and pyrimidine derivatives
Direct ParentPyrimidinecarboxylic acids
Alternative Parents
Substituents
  • Hydropyrimidine carboxylic acid derivative
  • Pyrimidine-6-carboxylic acid
  • Pyrimidone
  • Hydropyrimidine
  • Vinylogous amide
  • Heteroaromatic compound
  • Lactam
  • Urea
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Azacycle
  • Organic oxide
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP-0.83SANGSTER (1994)
Experimental Water Solubility1.82 mg/mL at 18 oCYALKOWSKY,SH & HE,Y (2003)
Melting PointMp 345-346°DFC
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 2 g
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
AKSci J20350
AKSci J93918
AKSci R435
MetaSci HMDB0000226
Sigma-Aldrich HMDB0000226