4,4-dimethyl valeric acid (CHEBI:180005)

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CHEBI:180005 - 4,4-dimethyl valeric acid

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ChEBI ID	CHEBI:180005
ChEBI Name	4,4-dimethyl valeric acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C7H14O2
Net Charge	0
Average Mass	130.187
Monoisotopic Mass	130.09938
SMILES	CC(C)(C)CCC(=O)O
InChI	InChI=1S/C7H14O2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKey	HMMSZUQCCUWXRA-UHFFFAOYSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	4,4-dimethyl valeric acid (CHEBI:180005) is a methyl-branched fatty acid (CHEBI:62499)

IUPAC Name
4,4-dimethylpentanoic acid

Manual Xrefs	Databases
13601	ChemSpider
LMFA01020144	LIPID MAPS

Registry Numbers	Sources
CAS:1118-47-4	ChemIDplus