Record Information
Version1.0
Creation date2015-10-09 22:30:50 UTC
Update date2017-01-19 02:36:25 UTC
FoodComEx IDPC000469
FoodDB RecordFDB022224
Chemical Information
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
Chemical FormulaC6H10O4
IUPAC name3-methylpentanedioic acid
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
Chemical Taxonomy
ClassificationNot classified
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 1 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci 8075AJ
MetaSci HMDB0000752
Sigma-Aldrich HMDB0000752