Record Information
Version1.0
Creation date2018-04-16 12:14:48 UTC
Update date2018-04-17 12:01:04 UTC
FoodComEx IDPC001128
FoodDB RecordFDB021996
Chemical Information
Name2-Methylbutyroylcarnitine
DescriptionUsually not detected in normal individuals, the elevation of 2-methylbutyrylcarnitine suggests a deficiency of a dehydrogenase specific for isobutyryl-CoA, important in the differential diagnosis of Branched Chain Organic Acidurias by Analysis of Urinary Organic Acids and Acylcarnitines in Plasma or Dried Blood Spots (The Metabolic and Molecular Bases of Inherited Disease, Chapter 93) [HMDB]
CAS Number31023-25-3
Structure
Thumb
Synonyms
SynonymSource
(2-methylbutyryl)carnitinehmdb
2-Methylbutyroylcarnitinehmdb
3-[(2-Methylbutanoyl)oxy]-4-(trimethylammonio)butanoateChEBI
3-[(2-Methylbutanoyl)oxy]-4-(trimethylammonio)butanoic acidGenerator
L-2-methylbutyrate (3-carboxy-2-hydroxypropyl)trimethyl-hydroxide Ammonium inner salthmdb
Methylbutyroyl-carnitineHMDB
Chemical FormulaC12H23NO4
IUPAC name3-[(2-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
InChI IdentifierInChI=1S/C12H23NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3
InChI KeyIHCPDBBYTYJYIL-UHFFFAOYSA-N
Isomeric SMILESCCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C
Average Molecular Weight245.3153
Monoisotopic Molecular Weight245.162708229
Chemical Taxonomy
ClassAcylcarnitines
FamilyNot Available
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 Available1 to 5 mg
Delivery Time2 weeks
Storage Formpowder
Storage Conditions4°C
StabilityNot Available
Purity>95%
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Claudine ManachINRA, Human Nutrition, Research Center Auvergne-Rhône-Alpes - Theix, Clermont-Ferrand, FR, F-63122claudine.manach@inra.fr
Commercial Vendors
Not Available