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CHEBI:191245 - Choline orotate

ChEBI IDCHEBI:191245
ChEBI NameCholine orotate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H14NO.C5H3N2O4
Net Charge0
Average Mass259.262
Monoisotopic Mass259.11682
SMILESC[N+](C)(C)CCO.O=C([O-])c1cc(=O)nc(=O)n1
InChIInChI=1S/C5H4N2O4.C5H14NO/c8-3-1-2(4(9)10)6-5(11)7-3;1-6(2,3)4-5-7/h1H,(H,9,10)(H2,6,7,8,11);7H,4-5H2,1-3H3/q;+1/p-1
InChIKeyIMAGLCGCHKGGLR-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Choline orotate (CHEBI:191245) is a pyrimidinecarboxylic acid (CHEBI:78574)
IUPAC Name 
2,4-dioxo-1H-pyrimidine-6-carboxylate;2-hydroxyethyl(trimethyl)azanium
Manual XrefsDatabases
D07692KEGG DRUG
81694ChemSpider
Registry NumbersSources
CAS:24381-49-5ChemIDplus