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CHEBI:45133 - pivalic acid

Default Structure
ChEBI IDCHEBI:45133
ChEBI Namepivalic acid
Stars
DefinitionA branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position.
Secondary ChEBI IDsCHEBI:35815, CHEBI:45132
Last Modified27 June 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC5H10O2
Net Charge0
Average Mass102.133
Monoisotopic Mass102.06808
SMILESCC(C)(C)C(=O)O
InChIInChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChIKeyIUGYQRQAERSCNH-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
pivalic acid (CHEBI:45133) is a branched-chain saturated fatty acid (CHEBI:39417)
pivalic acid (CHEBI:45133) is a methyl-branched fatty acid (CHEBI:62499)
pivalic acid (CHEBI:45133) is a short-chain fatty acid (CHEBI:26666)
pivalic acid (CHEBI:45133) is conjugate acid of pivalate (CHEBI:63894)
Incoming Relation(s)
O-pivaloylcarnitine (CHEBI:86049) has functional parent pivalic acid (CHEBI:45133)
pivalate ester (CHEBI:50784) has functional parent pivalic acid (CHEBI:45133)
pivaloyl-CoA (CHEBI:137545) has functional parent pivalic acid (CHEBI:45133)
pivalate (CHEBI:63894) is conjugate base of pivalic acid (CHEBI:45133)
IUPAC Name 
2,2-dimethylpropanoic acid
Synonyms  Source
2,2-dimethylpropionic acidChemIDplus
acide 2,2-diméthylpropanoïqueChEBI
acide pivaliqueChEBI
ácido pivalicoChEBI
dimethylpropionic acidNIST Chemistry WebBook
tert-pentanoic acidNIST Chemistry WebBook
Manual XrefsDatabases
HMDB0041992HMDB
LMFA01020073LIPID MAPS
PIVPDBeChem
Pivalic_acidWikipedia
Registry NumbersSources
Gmelin:82375Gmelin
Beilstein:969480Beilstein
Reaxys:969480Reaxys
CAS:75-98-9ChemIDplus
CAS:75-98-9NIST Chemistry WebBook
Citations