EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:17801 - 4-hydroxy-4-methyl-2-oxoglutaric acid

ChEBI IDCHEBI:17801
ChEBI Name4-hydroxy-4-methyl-2-oxoglutaric acid
Stars
Secondary ChEBI IDsCHEBI:1847, CHEBI:7925, CHEBI:11997, CHEBI:20383
Last Modified9 December 2024
DownloadsMolfile
FormulaC6H8O6
Net Charge0
Average Mass176.124
Monoisotopic Mass176.03209
SMILESCC(O)(CC(=O)C(=O)O)C(=O)O
InChIInChI=1S/C6H8O6/c1-6(12,5(10)11)2-3(7)4(8)9/h12H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyYRWAMSXHYBBHFL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-4-methyl-2-oxoglutaric acid (CHEBI:17801) has functional parent glutaric acid (CHEBI:17859)
4-hydroxy-4-methyl-2-oxoglutaric acid (CHEBI:17801) is a oxo dicarboxylic acid (CHEBI:36145)
4-hydroxy-4-methyl-2-oxoglutaric acid (CHEBI:17801) is a tertiary alcohol (CHEBI:26878)
4-hydroxy-4-methyl-2-oxoglutaric acid (CHEBI:17801) is conjugate acid of 4-hydroxy-4-methyl-2-oxoglutarate(2−) (CHEBI:58276)
Incoming Relation(s)
4-hydroxy-4-methyl-2-oxoglutarate(2−) (CHEBI:58276) is conjugate base of 4-hydroxy-4-methyl-2-oxoglutaric acid (CHEBI:17801)
IUPAC Name 
2-hydroxy-2-methyl-4-oxopentanedioic acid
Synonyms  Source
2-keto-4-hydroxy-4-methylglutaric acidChEBI
γ-hydroxy-γ-methyl-α-ketoglutaric acidChEBI
parapyruvic acidChEBI
4-hydroxy-4-methyl-2-oxoglutaric acidChEBI
Manual XrefsDatabases
C06033KEGG COMPOUND
Registry NumbersSources
CAS:19071-44-4Beilstein
Citations