RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0154022
RefMet nameCAR DC3:0
Systematic nameMalonylcarnitine
SynonymsPubChem Synonyms
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
Molecular descriptors
Molfile38017 (Download molfile/View MW Metabolite Database details)
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
SMILESC[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)CC(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl carnitines
Distribution of CAR DC3:0 in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting CAR DC3:0
External Links
Pubchem CID22833583
LIPID MAPSLMFA07070080
ChEBI ID86047
HMDB IDHMDB0002095
Chemspider ID17216162
Spectral data for CAR DC3:0 standards
NP-MRD ID(NMR)View NMR spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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