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CHEBI:179514 - 3-caproyl propionic acid

ChEBI IDCHEBI:179514
ChEBI Name3-caproyl propionic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O3
Net Charge0
Average Mass172.224
Monoisotopic Mass172.10994
SMILESCCCCCC(=O)CCC(=O)O
InChIInChI=1S/C9H16O3/c1-2-3-4-5-8(10)6-7-9(11)12/h2-7H2,1H3,(H,11,12)
InChIKeyPRDIIROHTWNJDB-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-caproyl propionic acid (CHEBI:179514) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
4-oxononanoic acid
Manual XrefsDatabases
21053ChemSpider
LMFA01060023LIPID MAPS
Registry NumbersSources
CAS:6064-52-4ChemIDplus