RefMet Compound Details

RefMet IDRM0154031
MW structure93692 (View MW Metabolite Database details)
RefMet nameCAR DC12:0
Systematic nameO-(11-Carboxy-undecanoyl)-R-carnitine
SMILESC[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCCCCCCCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCAR DC12:0 View other entries in RefMet with this sum composition
Exact mass373.246439 (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
FormulaC19H35NO6View other entries in RefMet with this formula
InChIInChI=1S/C19H35NO6/c1-20(2,3)15-16(14-18(23)24)26-19(25)13-11-9-7-5-4-6-8-10-12-17(21)22/h16H,4-15H2,1-3H3,(H-,21,22,23,24)/t16-/m
1/s1
InChIKeyULLMWXPSQSZINF-MRXNPFEDSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl carnitines
Pubchem CID145720503
ChEBI ID165603
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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