CHEBI:30920 - 3-hydroxy-3-methylglutarate(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-hydroxy-3-methylglutarate(1−)
ChEBI ID CHEBI:30920
ChEBI ASCII Name 3-hydroxy-3-methylglutarate(1-)
Definition A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxylic acid groups of 3-hydroxy-3-methylglutaric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C6H9O5
Net Charge -1
Average Mass 161.13270
Monoisotopic Mass 161.04555
InChI InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/p-1
InChIKey NPOAOTPXWNWTSH-UHFFFAOYSA-M
SMILES CC(O)(CC(O)=O)CC([O-])=O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-hydroxy-3-methylglutarate(1−) (CHEBI:30920) has functional parent glutarate(1−) (CHEBI:35907)
3-hydroxy-3-methylglutarate(1−) (CHEBI:30920) has role human metabolite (CHEBI:77746)
3-hydroxy-3-methylglutarate(1−) (CHEBI:30920) has role plant metabolite (CHEBI:76924)
3-hydroxy-3-methylglutarate(1−) (CHEBI:30920) is a dicarboxylic acid monoanion (CHEBI:35695)
3-hydroxy-3-methylglutarate(1−) (CHEBI:30920) is conjugate acid of 3-hydroxy-3-methylglutarate(2−) (CHEBI:17325)
3-hydroxy-3-methylglutarate(1−) (CHEBI:30920) is conjugate base of 3-hydroxy-3-methylglutaric acid (CHEBI:16831)
Incoming 3-hydroxy-3-methylglutaric acid (CHEBI:16831) is conjugate acid of 3-hydroxy-3-methylglutarate(1−) (CHEBI:30920)
3-hydroxy-3-methylglutarate(2−) (CHEBI:17325) is conjugate base of 3-hydroxy-3-methylglutarate(1−) (CHEBI:30920)
IUPAC Name
4-carboxy-3-hydroxy-3-methylbutanoate
Last Modified
01 September 2014