Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	206775
Common Name:	4-Methylnonanoylcarnitine
Systematic Name:	3-(4-methylnonanoyloxy)-4-(trimethylammonio)butanoate
Synonyms:	[PubChem Synonyms]
Exact Mass:	315.2410 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C17H33NO4
InChIKey:	IQJMCBGYXMVJGG-YSSOQSIOSA-N
SMILES:	CCCCCC(C)CCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
Studies:	-

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External database links:

PubChem CID:	156960943
HMDB ID:	HMDB0240790

Calculated physicochemical properties:

No data available

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