CHEBI:167872 - 2,2-dihydroxy-3-methylbutanoate

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ChEBI Name 2,2-dihydroxy-3-methylbutanoate ChEBI ID CHEBI:167872 Definition A 2-hydroxy fatty acid anion that is the conjugate base of 2,2-dihydroxy-3-methylbutanoic acid resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter MetaboLights 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 C5H9O4 Net Charge -1 Average Mass 133.124 Monoisotopic Mass 133.05063 InChI InChI=1S/C5H10O4/c1-3(2)5(8,9)4(6)7/h3,8-9H,1-2H3,(H,6,7)/p-1 InChIKey CTMXBOCTJPQVDZ-UHFFFAOYSA-M SMILES CC(C)C(O)(O)C([O-])=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in HAP-1 (EFO:0007598). See: MetaboLights Study Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 2,2-dihydroxy-3-methylbutanoate (CHEBI:167872) has role human metabolite (CHEBI:77746) 2,2-dihydroxy-3-methylbutanoate (CHEBI:167872) is a 2-hydroxy fatty acid anion (CHEBI:76176) 2,2-dihydroxy-3-methylbutanoate (CHEBI:167872) is conjugate base of 2,2-dihydroxy-3-methylbutanoic acid (CHEBI:167881) Incoming 2,2-dihydroxy-3-methylbutanoic acid (CHEBI:167881) is conjugate acid of 2,2-dihydroxy-3-methylbutanoate (CHEBI:167872) IUPAC Name 2,2-dihydroxy-3-methylbutanoate Synonyms Sources 2,2-dihydroxyisovalerate ChEBI dihydroxyisovalerate Note: (2021-04-08) ambiguous synonym provided by submitter. ChEBI Manual Xref Database 15709970 ChemSpider View more database links Last Modified 08 April 2021