RefMet Compound Details

RefMet IDRM0154056
MW structure37304 (View MW Metabolite Database details)
RefMet nameCAR DC5:0;3Me
Systematic name3-Methylglutarylcarnitine
SMILESCC(CC(=O)[O-])CC(=O)OC(CC(=O)O)C[N+](C)(C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCAR DC5:0;3Me View other entries in RefMet with this sum composition
Exact mass289.152539 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC13H23NO6View other entries in RefMet with this formula
InChIInChI=1S/C13H23NO6/c1-9(5-11(15)16)6-13(19)20-10(7-12(17)18)8-14(2,3)4/h9-10H,5-8H2,1-4H3,(H-,15,16,17,18)
InChIKeyHFCPFJNSBPQJDP-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl carnitines
Pubchem CID128145
ChEBI ID70857
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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