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CHEBI:171946 - 3-Methylbutyl 3-oxobutanoate

ChEBI IDCHEBI:171946
ChEBI Name3-Methylbutyl 3-oxobutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O3
Net Charge0
Average Mass172.224
Monoisotopic Mass172.10994
SMILESCC(=O)CC(=O)OCCC(C)C
InChIInChI=1S/C9H16O3/c1-7(2)4-5-12-9(11)6-8(3)10/h7H,4-6H2,1-3H3
InChIKeyXHRGPLDMNNGHCX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
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-Methylbutyl 3-oxobutanoate (CHEBI:171946) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
3-methylbutyl 3-oxobutanoate
Manual XrefsDatabases
55235ChemSpider
HMDB0036396HMDB
Registry NumbersSources
CAS:2308-18-1ChemIDplus