EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169284 - Diethyl L-malate

ChEBI IDCHEBI:169284
ChEBI NameDiethyl L-malate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O5
Net Charge0
Average Mass190.195
Monoisotopic Mass190.08412
SMILESCCOC(=O)C[C@H](O)C(=O)OCC
InChIInChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyVKNUORWMCINMRB-LURJTMIESA-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)
Diethyl L-malate (CHEBI:169284) is a 3-hydroxy carboxylic acid (CHEBI:61355)
IUPAC Name 
diethyl (2S)-2-hydroxybutanedioate
Manual XrefsDatabases
1363664ChemSpider
Registry NumbersSources
CAS:691-84-9ChemIDplus