RefMet Compound Details

MW structure42914 (View MW Metabolite Database details)
RefMet nameCarnitine
Systematic name3-hydroxy-4-(trimethylammonio)butanoate
SMILESC[N+](C)(C)C[C@@H](O)CC([O-])=O
Exact mass161.105194 (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
FormulaC7H15NO3View other entries in RefMet with this formula
InChIInChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyPHIQHXFUZVPYII-ZCFIWIBFSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic nitrogen compounds
Main ClassCarnitines
Sub ClassCarnitines
Pubchem CID10917
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples

Table of KEGG reactions in human pathways involving Carnitine

Rxn IDKEGG ReactionEnzyme
R02397 4-Trimethylammoniobutanoate + 2-Oxoglutarate + Oxygen <=> Carnitine + Succinate + CO24-Trimethylammoniobutanoate,2-oxoglutarate:oxygen oxidoreductase (3-hydroxylating)

Table of KEGG human pathways containing Carnitine

Pathway IDHuman Pathway# of reactions
hsa00310 Lysine degradation 1
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