CHEBI:179999 - beta,beta-dimethyl valeric acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name beta,beta-dimethyl valeric acid
ChEBI ID CHEBI:179999
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information eMolecules:592066, ZINC000004557048
Download Molfile XML SDF
Formula C7H14O2
Net Charge 0
Average Mass 130.187
Monoisotopic Mass 130.09938
InChI InChI=1S/C7H14O2/c1-4-7(2,3)5-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKey UPURPFNAFBQPON-UHFFFAOYSA-N
SMILES OC(=O)CC(CC)(C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing beta,beta-dimethyl valeric acid (CHEBI:179999) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name
3,3-dimethylpentanoic acid
Manual Xrefs Databases
4445772 ChemSpider
LMFA01020086 LIPID MAPS
View more database links