RefMet Compound Details

MW structure39059 (View MW Metabolite Database details)
RefMet name3-Dehydroxycarnitine
Systematic name4-(trimethylazaniumyl)butanoate
SMILESC[N+](C)(C)CCCC([O-])=O
Exact mass145.110279 (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
FormulaC7H15NO2View other entries in RefMet with this formula
InChIInChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3
InChIKeyJHPNVNIEXXLNTR-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl carnitines
Pubchem CID725
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 3-Dehydroxycarnitine

Rxn IDKEGG ReactionEnzyme
R02397 4-Trimethylammoniobutanoate + 2-Oxoglutarate + Oxygen <=> Carnitine + Succinate + CO24-Trimethylammoniobutanoate,2-oxoglutarate:oxygen oxidoreductase (3-hydroxylating)
R03283 4-Trimethylammoniobutanal + NAD+ + H2O <=> 4-Trimethylammoniobutanoate + NADH + H+4-Trimethylammoniobutanal:NAD+ 1-oxidoreductase

Table of KEGG human pathways containing 3-Dehydroxycarnitine

Pathway IDHuman Pathway# of reactions
hsa00310 Lysine degradation 2
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