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 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C5H10O2 Net Charge 0 Average Mass 102.13170 Monoisotopic Mass 102.06808 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 Manual Xrefs 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 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