Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	42215
Common Name:	Hydroxybutyrylcarnitine
Systematic Name:	(3S)-3-[(3-hydroxybutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
RefMet Name:	CAR 4:0;3OH
Synonyms:	[PubChem Synonyms]
Exact Mass:	247.1420 (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:	C11H21NO5
InChIKey:	UEFRDQSMQXDWTO-GKAPJAKFSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty esters [FA07]
LIPID MAPS subclass:	Fatty acyl carnitines [FA0707]
SMILES:	CC(CC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	53481617
LIPID MAPS ID:	LMFA07070071
HMDB ID:	HMDB0013127

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