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CHEBI:180328 - 3-capryl propionic acid

ChEBI IDCHEBI:180328
ChEBI Name3-capryl propionic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20O3
Net Charge0
Average Mass200.278
Monoisotopic Mass200.14124
SMILESCCCCCCCC(=O)CCC(=O)O
InChIInChI=1S/C11H20O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyKBWRWCSRYCKEOR-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)
3-capryl propionic acid (CHEBI:180328) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
4-oxoundecanoic acid
Manual XrefsDatabases
4446112ChemSpider
LMFA01060035LIPID MAPS