EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:2131 - 5-methyl-3-isoxazolyl sulfate

Default Structure
ChEBI IDCHEBI:2131
ChEBI Name5-methyl-3-isoxazolyl sulfate
Stars
DefinitionA heterocyclyl sulfate that is 1,2-oxazol-3-yl hydrogen sulfate substituted by a methyl group at position 5.
Last Modified9 February 2015
DownloadsMolfile
FormulaC4H5NO5S
Net Charge0
Average Mass179.153
Monoisotopic Mass178.98884
SMILESCc1cc(OS(=O)(=O)O)no1
InChIInChI=1S/C4H5NO5S/c1-3-2-4(5-9-3)10-11(6,7)8/h2H,1H3,(H,6,7,8)
InChIKeyRQDUXWSGZLYVCI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-methyl-3-isoxazolyl sulfate (CHEBI:2131) is a heterocyclyl sulfate (CHEBI:37839)
5-methyl-3-isoxazolyl sulfate (CHEBI:2131) is a isoxazoles (CHEBI:55373)
IUPAC Name 
5-methyl-1,2-oxazol-3-yl hydrogen sulfate
Manual XrefsDatabases
C11105KEGG COMPOUND
Registry NumbersSources
Reaxys:1107973Reaxys