CHEBI:45133 - pivalic acid

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ChEBI Name pivalic acid
ChEBI ID CHEBI:45133
Definition A branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:35815, CHEBI:45132
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Formula C5H10O2
Net Charge 0
Average Mass 102.13170
Monoisotopic Mass 102.068
InChI InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChIKey IUGYQRQAERSCNH-UHFFFAOYSA-N
SMILES CC(C)(C)C(O)=O
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 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 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 Sources
2,2-dimethylpropionic acid ChemIDplus
acide 2,2-diméthylpropanoïque ChEBI
acide pivalique ChEBI
ácido pivalico ChEBI
α,α-dimethylpropionic acid NIST Chemistry WebBook
dimethylpropionic acid NIST Chemistry WebBook
neopentanoic acid ChemIDplus
PIVALIC ACID PDBeChem
Pivalinsäure ChEBI
tert-pentanoic acid NIST Chemistry WebBook
trimethylacetic acid ChemIDplus
Database Links Databases
HMDB0041992 HMDB
LMFA01020073 LIPID MAPS
PIV PDBeChem
Pivalic_acid Wikipedia
View more database links
Registry Numbers Types Sources
75-98-9 CAS Registry Number NIST Chemistry WebBook
75-98-9 CAS Registry Number ChemIDplus
82375 Gmelin Registry Number Gmelin
969480 Beilstein Registry Number Beilstein
969480 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16430936 PubMed citation Europe PMC
17724113 PubMed citation Europe PMC
21509470 PubMed citation Europe PMC
22566287 PubMed citation Europe PMC
22790609 PubMed citation Europe PMC
Last Modified
27 June 2017