CHEBI:174276 - Dibutyl malate

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ChEBI Name Dibutyl malate
ChEBI ID CHEBI:174276
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H22O5
Net Charge 0
Average Mass 246.303
Monoisotopic Mass 246.14672
InChI InChI=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
InChIKey PDSCSYLDRHAHOX-UHFFFAOYSA-N
SMILES O(CCCC)C(=O)C(O)CC(OCCCC)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Dibutyl malate (CHEBI:174276) is a 3-hydroxy carboxylic acid (CHEBI:61355)
IUPAC Name
dibutyl 2-hydroxybutanedioate
Manual Xrefs Databases
86081 ChemSpider
HMDB0031696 HMDB
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Registry Number Type Source
6280-99-5 CAS Registry Number ChemIDplus