Orotic acid

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Systematic / IUPAC Name: 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

ID: Reference532

Other Names: Uracil-6-carboxylic acid;
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-;
2,6-Dihydroxypyrimidine-4-carboxylic acid;
6-Carboxy-2,4-dihydroxypyrimidine;
2,6-Dioxo-1,3-dihydropyrimidine-4-carboxylic acid ; more

Formula: C5H4N2O4

Class: Endogenous Metabolites

Spectral Data

Orotic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 391
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 2/2/2015 3:28:12 PM
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Identificators

InChI InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
InChI Key PXQPEWDEAKTCGB-UHFFFAOYSA-N
Canonical SMILES C1=C(NC(=O)NC1=O)C(=O)O
CAS 65861
Splash
Other Names Uracil-6-carboxylic acid;
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-;
2,6-Dihydroxypyrimidine-4-carboxylic acid;
6-Carboxy-2,4-dihydroxypyrimidine;
2,6-Dioxo-1,3-dihydropyrimidine-4-carboxylic acid;
4-Pyrimidinecarboxylic acid, 2,6-dihydroxy-;
6-Carboxyuracil;
Orodin;
Oropur;
Orotonin;
Orotonsan;
Oroturic;
Orotyl

In Other Databases

ChemSpider 942
ChEBI CHEBI:16742
HMDb HMDB00226
PubChem 967
ChemIDPlus 000065861; 000154858; 085187457; 005266206; 016301307; 022454860; 024598730; 068399768; 097999332; 060388025
Wikipedia Orotic_acid
ChEMBL CHEMBL1235017
KEGG C00295; D00055