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CHEBI:174276 - Dibutyl malate

ChEBI IDCHEBI:174276
ChEBI NameDibutyl malate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O5
Net Charge0
Average Mass246.303
Monoisotopic Mass246.14672
SMILESCCCCOC(=O)CC(O)C(=O)OCCCC
InChIInChI=1S/C12H22O5/c1-3-5-7-16-11(14)9-10(13)12(15)17-8-6-4-2/h10,13H,3-9H2,1-2H3
InChIKeyPDSCSYLDRHAHOX-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)
Dibutyl malate (CHEBI:174276) is a 3-hydroxy carboxylic acid (CHEBI:61355)
IUPAC Name 
dibutyl 2-hydroxybutanedioate
Manual XrefsDatabases
HMDB0031696HMDB
86081ChemSpider
Registry NumbersSources
CAS:6280-99-5ChemIDplus