EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:882 - 2,3-Dihydroxy-3-methylpentanoate

Default Structure
ChEBI IDCHEBI:882
ChEBI Name2,3-Dihydroxy-3-methylpentanoate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC6H12O4
Net Charge0
Average Mass148.158
Monoisotopic Mass148.07356
SMILESCCC(C)(O)C(O)C(=O)O
InChIInChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)
InChIKeyPDGXJDXVGMHUIR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2,3-Dihydroxy-3-methylpentanoate (CHEBI:882) is a hydroxy fatty acid (CHEBI:24654)
Synonyms  Source
2,3-Dihydroxy-3-methylpentanoateKEGG COMPOUND
2,3-Dihydroxy-3-methylvalerateKEGG COMPOUND
Manual XrefsDatabases
C04104KEGG COMPOUND