CHEBI:131392 - 3-hydroxy-2,2-dimethylbutyric acid

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ChEBI Name 3-hydroxy-2,2-dimethylbutyric acid ChEBI ID CHEBI:131392 Definition A 3-hydroxy monocarboxylic acid that is 2,2-dimethylbutyric acid carrying a single hydroxy substituent at position 3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H12O3 Net Charge 0 Average Mass 132.158 Monoisotopic Mass 132.07864 InChI InChI=1S/C6H12O3/c1-4(7)6(2,3)5(8)9/h4,7H,1-3H3,(H,8,9) InChIKey RVWQQCKPTVZHJM-UHFFFAOYSA-N SMILES C(=O)(O)C(C(C)O)(C)C Metabolite of Species Details Rattus norvegicus (NCBI:txid10116) See: PubMed Homo sapiens (NCBI:txid9606) See: PubMed Homo sapiens (NCBI:txid9606) See: MetaboLights Study Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). drug metabolite View more via ChEBI Ontology ChEBI Ontology Outgoing 3-hydroxy-2,2-dimethylbutyric acid (CHEBI:131392) has role drug metabolite (CHEBI:49103) 3-hydroxy-2,2-dimethylbutyric acid (CHEBI:131392) has role rat metabolite (CHEBI:86264) 3-hydroxy-2,2-dimethylbutyric acid (CHEBI:131392) is a 3-hydroxy monocarboxylic acid (CHEBI:35969) IUPAC Name 3-hydroxy-2,2-dimethylbutanoic acid Synonyms Sources 2,2-Dimethyl-3-hydroxybutanoic acid ChemIDplus 2,2-Dimethyl-3-hydroxybutyric acid ChemIDplus DMHB ChemIDplus Manual Xref Database 134834 ChemSpider View more database links Registry Numbers Types Sources 1752724 Reaxys Registry Number Reaxys 29269-83-8 CAS Registry Number ChemIDplus Citation Type Source 1814736 PubMed citation Europe PMC Last Modified 11 November 2016