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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-hydroxy-4-methyl-2-oxoglutaric acid
ChEBI ID CHEBI:17801
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1847, CHEBI:11997, CHEBI:20383
Supplier Information
Download Molfile XML SDF
Formula C6H8O6
Net Charge 0
Average Mass 176.12412
Monoisotopic Mass 176.03209
InChI InChI=1S/C6H8O6/c1-6(12,5(10)11)2-3(7)4(8)9/h12H,2H2,1H3,(H,8,9)(H,10,11)
InChIKey YRWAMSXHYBBHFL-UHFFFAOYSA-N
SMILES CC(O)(CC(=O)C(O)=O)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 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 conjugate acid of 4-hydroxy-4-methyl-2-oxoglutarate(2−) (CHEBI:58276)
Incoming 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 Sources
4-Hydroxy-4-methyl-2-oxoglutarate KEGG COMPOUND
4-Hydroxy-4-methyl-2-oxoglutarate KEGG COMPOUND
4-hydroxy-4-methyl-2-oxoglutaric acid UniProt
Manual Xrefs Databases
C04184 KEGG COMPOUND
C06033 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
130610-51-4 CAS Registry Number Beilstein
19071-44-4 CAS Registry Number Beilstein
40525-99-3 CAS Registry Number Beilstein
Last Modified
28 July 2014