CHEBI:179403 - 5-aceto valeric acid

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ChEBI Name 5-aceto valeric acid
ChEBI ID CHEBI:179403
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/c1-6(8)4-2-3-5-7(9)10/h2-5H2,1H3,(H,9,10)
InChIKey IZOQMUVIDMLRDC-UHFFFAOYSA-N
SMILES O=C(CCCCC(O)=O)C
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 5-aceto valeric acid (CHEBI:179403) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name
6-oxoheptanoic acid
Manual Xrefs Databases
89244 ChemSpider
LMFA01060015 LIPID MAPS
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Registry Number Type Source
3128-07-2 CAS Registry Number ChemIDplus