RefMet Compound Details

MW structure38017 (View MW Metabolite Database details)
RefMet nameCAR DC3:0
Systematic nameMalonylcarnitine
SMILESC[N+](C)(C)C[C@@H](CC([O-])=O)OC(=O)CC(O)=O
Sum CompositionCAR DC3:0 View other entries in RefMet with this sum composition
Exact mass247.105589 (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
FormulaC10H17NO6View other entries in RefMet with this formula
InChIInChI=1S/C10H17NO6/c1-11(2,3)6-7(4-8(12)13)17-10(16)5-9(14)15/h7H,4-6H2,1-3H3,(H-,12,13,14,15)/t7-/m0/s1
InChIKeyZGNBLKBZJBJFDG-ZETCQYMHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl carnitines
Pubchem CID22833583
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples
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