Metabolomics Structure Database

 
MW REGNO: 58908
Common Name:N-dodecanoyl-L-homoserine lactone
Systematic Name:N-[(3R)-2-oxotetrahydrofuran-3-yl]dodecanamide
RefMet Name:N-Dodecanoyl-homoserine lactone
Synonyms:C12-HSL; N-dodecanoyl-S-homoserine lactone; N-lauroyl-L-homoserine lactone; N-lauroyl-S-homoserine lactone [PubChem Synonyms]
Exact Mass:
283.2147 (neutral)    Calculate m/z:
Formula:C16H29NO3
InChIKey:WILLZMOKUUPJSL-CQSZACIVSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:N-acyl-alpha amino acids and derivatives [C0001189]
SMILES:CCCCCCCCCCCC(=O)N[C@@H]1CCOC1=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:45266530
CHEBI ID:55555

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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