Metabolomics Structure Database

 
MW REGNO: 38017
Common Name:Malonylcarnitine
Systematic Name:(3S)-3-[(2-carboxyacetyl)oxy]-4-(trimethylazaniumyl)butanoate
RefMet Name:CAR DC3:0
Synonyms: [PubChem Synonyms]
Exact Mass:
247.1056 (neutral)    Calculate m/z:
Formula:C10H17NO6
InChIKey:ZGNBLKBZJBJFDG-ZETCQYMHSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty esters [FA07]
LIPID MAPS subclass:Fatty acyl carnitines [FA0707]
NP-MRD NMR spectra:View NMR spectra
SMILES:C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)CC(=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:22833583
LIPID MAPS ID:LMFA07070080
CHEBI ID:86047
HMDB ID:HMDB0002095
Chemspider ID:17216162
METLIN ID:6484
NP-MRD ID(NMR):NP0001047

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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