EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:193611 - 4-hydroxy-3-methylbut-2-enoic acid

ChEBI IDCHEBI:193611
ChEBI Name4-hydroxy-3-methylbut-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H8O3
Net Charge0
Average Mass116.116
Monoisotopic Mass116.04734
SMILESCC(=CC(=O)O)CO
InChIInChI=1S/C5H8O3/c1-4(3-6)2-5(7)8/h2,6H,3H2,1H3,(H,7,8)
InChIKeyBERUOTKXCOOJJM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-3-methylbut-2-enoic acid (CHEBI:193611) is a hydroxy fatty acid (CHEBI:24654)
IUPAC Name 
4-hydroxy-3-methylbut-2-enoic acid
Manual XrefsDatabases
28716811ChemSpider