EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:174180 - (1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole

ChEBI IDCHEBI:174180
ChEBI Name(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14N2O5
Net Charge0
Average Mass230.220
Monoisotopic Mass230.09027
SMILESCC(=O)c1ncc(C(O)C(O)C(O)CO)n1
InChIInChI=1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)
InChIKeyCQSIXFHVGKMLGQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole (CHEBI:174180) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-[5-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]ethanone
Manual XrefsDatabases
HMDB0029756HMDB
157173ChemSpider
Registry NumbersSources
CAS:95120-07-3ChemIDplus