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CHEBI:132101 - sodium orotate

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
Mus musculus (ncbitaxon:10090) - PubMed (19425150)
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Homo sapiens (ncbitaxon:9606) - PubMed (16139832)
Roles Classification
Biological Roles:
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 ).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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
Sodium 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylateChemIDplus
Orotic acid, sodium saltChemIDplus
Monosodium orotateChemIDplus
Registry NumbersSources
Reaxys:6025939Reaxys
CAS:154-85-8ChemIDplus
Citations