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CHEBI:179402 - n-valeryl acetic acid

ChEBI IDCHEBI:179402
ChEBI Namen-valeryl acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O3
Net Charge0
Average Mass144.170
Monoisotopic Mass144.07864
SMILESCCCCC(=O)CC(=O)O
InChIInChI=1S/C7H12O3/c1-2-3-4-6(8)5-7(9)10/h2-5H2,1H3,(H,9,10)
InChIKeyPRRBQHNMYJRHFW-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)
n-valeryl acetic acid (CHEBI:179402) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
3-oxoheptanoic acid
Manual XrefsDatabases
101578ChemSpider
LMFA01060012LIPID MAPS
BKAPDBeChem
Registry NumbersSources
CAS:63563-21-3ChemIDplus