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CHEBI:180000 - alpha,alpha-dimethyl valeric acid

ChEBI IDCHEBI:180000
ChEBI Namealpha,alpha-dimethyl valeric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H14O2
Net Charge0
Average Mass130.187
Monoisotopic Mass130.09938
SMILESCCCC(C)(C)C(=O)O
InChIInChI=1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyZRYCZAWRXHAAPZ-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)
alpha,alpha-dimethyl valeric acid (CHEBI:180000) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name 
2,2-dimethylpentanoic acid
Manual XrefsDatabases
13802ChemSpider
LMFA01020085LIPID MAPS
Registry NumbersSources
CAS:1185-39-3ChemIDplus