CHEBI:179402 - n-valeryl acetic acid

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ChEBI Name n-valeryl acetic acid
ChEBI ID CHEBI:179402
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C7H12O3
Net Charge 0
Average Mass 144.170
Monoisotopic Mass 144.07864
InChI InChI=1S/C7H12O3/c1-2-3-4-6(8)5-7(9)10/h2-5H2,1H3,(H,9,10)
InChIKey PRRBQHNMYJRHFW-UHFFFAOYSA-N
SMILES O=C(CCCC)CC(O)=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 n-valeryl acetic acid (CHEBI:179402) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name
3-oxoheptanoic acid
Manual Xrefs Databases
101578 ChemSpider
BKA PDBeChem
LMFA01060012 LIPID MAPS
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Registry Number Type Source
63563-21-3 CAS Registry Number ChemIDplus