EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168648 - 3-Hydroxy-2-methyl-[S-(R,R)]-butanoic acid

ChEBI IDCHEBI:168648
ChEBI Name3-Hydroxy-2-methyl-[S-(R,R)]-butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H10O3
Net Charge0
Average Mass118.132
Monoisotopic Mass118.06299
SMILESC[C@@H](O)[C@@H](C)C(=O)O
InChIInChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4-/m1/s1
InChIKeyVEXDRERIMPLZLU-QWWZWVQMSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-2-methyl-[S-(R,R)]-butanoic acid (CHEBI:168648) is a hydroxy fatty acid (CHEBI:24654)
IUPAC Name 
(2R,3R)-3-hydroxy-2-methylbutanoic acid
Manual XrefsDatabases
13628080ChemSpider
LMFA01050492LIPID MAPS
HMDB0000410HMDB