RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0153881
RefMet nameCAR 9:0
Systematic name3-(nonanoyloxy)-4-(trimethylazaniumyl)butanoate
SynonymsPubChem Synonyms
Sum CompositionCAR 9:0 View other entries in RefMet with this sum composition
Exact mass301.225309 (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
FormulaC16H31NO4View other entries in RefMet with this formula
Molecular descriptors
Molfile42281 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C16H31NO4/c1-5-6-7-8-9-10-11-16(20)21-14(12-15(18)19)13-17(2,3)4/h14H,5-13H2,1-4H3
InChIKeyMPSPNFAQQQMFLK-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl carnitines
Distribution of CAR 9:0 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 9:0
External Links
Pubchem CID53481660
LIPID MAPSLMFA07070082
ChEBI ID70997
HMDB IDHMDB0013288
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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