n-butyrl n-valeric acid (CHEBI:179516)

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CHEBI:179516 - n-butyrl n-valeric acid

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ChEBI ID	CHEBI:179516
ChEBI Name	n-butyrl n-valeric acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H16O3
Net Charge	0
Average Mass	172.224
Monoisotopic Mass	172.10994
SMILES	CCCC(=O)CCCCC(=O)O
InChI	InChI=1S/C9H16O3/c1-2-5-8(10)6-3-4-7-9(11)12/h2-7H2,1H3,(H,11,12)
InChIKey	NTQPWIWDPJRIPQ-UHFFFAOYSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	n-butyrl n-valeric acid (CHEBI:179516) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name
6-oxononanoic acid

Manual Xrefs	Databases
LMFA01060025	LIPID MAPS
4446108	ChemSpider