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CHEBI:132101 - sodium orotate

Default Structure
ChEBI IDCHEBI:132101
ChEBI Namesodium orotate
Stars
DefinitionAn organic sodium salt comprising equal numbers of sodium and orotate ions.
Last Modified1 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC5H3N2O4.Na
Net Charge0
Average Mass178.079
Monoisotopic Mass177.99905
SMILESO=C([O-])c1cc(=O)nc(=O)n1.[Na+]
InChIInChI=1S/C5H4N2O4.Na/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1
InChIKeyZTHMWDSJKLNDTE-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Homo sapiens (ncbitaxon:9606) - PubMed (16139832)
Mus musculus (ncbitaxon:10090) - PubMed (19425150)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
sodium orotate (CHEBI:132101) has part orotate (CHEBI:30839)
sodium orotate (CHEBI:132101) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
sodium orotate (CHEBI:132101) has role human metabolite (CHEBI:77746)
sodium orotate (CHEBI:132101) has role mouse metabolite (CHEBI:75771)
sodium orotate (CHEBI:132101) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Synonyms  Source
Monosodium orotateChemIDplus
Orotic acid, sodium saltChemIDplus
Sodium 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylateChemIDplus
Registry NumbersSources
Reaxys:6025939Reaxys
CAS:154-85-8ChemIDplus
Citations