Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	4646
Common Name:	N-heptanoyl-homoserine lactone
Systematic Name:	N-heptanoyl-homoserine lactone
RefMet Name:	N-Heptanoyl-homoserine lactone
Synonyms:	N-Heptanoylhomoserine lactone [PubChem Synonyms]
Exact Mass:	213.1365 (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:	C11H19NO3
InChIKey:	FTMZLSDESAOPSZ-VIFPVBQESA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty amides [FA08]
LIPID MAPS subclass:	Fatty acyl homoserine lactones [FA0803]
NP-MRD NMR spectra:	View NMR spectra
SMILES:	CCCCCCC(=O)N[C@H]1CCOC1=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	443437
LIPID MAPS ID:	LMFA08030006
CHEBI ID:	29644
KEGG ID:	C11844
Natural Products Atlas ID:	NP012460
NP-MRD ID(NMR):	NP0010499
Plant Metabolite Hub(Pmhub):	MS000022619

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