Record Information
Version1.0
Creation date2011-09-21 00:10:30 UTC
Update date2015-10-09 22:30:50 UTC
Primary IDFDB022224
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameMethylglutaric acid
DescriptionMethylglutaric acid is a leucine metabolite. A large amount of methylglutaric acid is identified in urine of patients with deficiency of 3-methylglutaconyl coenzyme A hydratase (PMID 6181239). [HMDB]
CAS Number626-51-7
Structure
Thumb
Synonyms
SynonymSource
3-methyl-Glutaratehmdb
3-methyl-Glutaric acidhmdb
3-Methylglutaratehmdb
3-Methylglutaric acidhmdb
3-Methylpentanedioatehmdb
3-Methylpentanedioic acidhmdb
b-methyl-Glutaric acidhmdb
b-Methylglutaratehmdb
b-Methylglutaric acidhmdb
beta-methyl-Glutaric acidhmdb
beta-Methylglutaratehmdb
beta-Methylglutaric acidhmdb
Methylglutaratehmdb
β-methylglutarateGenerator
β-methylglutaric acidGenerator
Predicted PropertiesNot Available
Chemical FormulaC6H10O4
IUPAC name
InChI IdentifierInChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChI KeyXJMMNTGIMDZPMU-UHFFFAOYSA-N
Isomeric SMILESCC(CC(O)=O)CC(O)=O
Average Molecular Weight146.1412
Monoisotopic Molecular Weight146.057908808
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Process

Naturally occurring process:

Role

Biological role:

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID11781
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID12284
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00752
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference