RefMet Compound Details

MW structure65277 (View MW Metabolite Database details)
RefMet nameCAR 4:0;3Me
Systematic nameIsovalerylcarnitine
SMILESCC(C)CC(=O)O[C@@H](C[N+](C)(C)C)CC([O-])=O
Sum CompositionCAR 4:0;3Me View other entries in RefMet with this sum composition
Exact mass245.162709 (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
FormulaC12H23NO4View other entries in RefMet with this formula
InChIInChI=1S/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyIGQBPDJNUXPEMT-SNVBAGLBSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl carnitines
Pubchem CID169235
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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