Metabolomics Structure Database

 
MW REGNO: 1620
Common Name:3-oxo-nonadecanoic acid
Systematic Name:3-oxo-nonadecanoic acid
RefMet Name:3-Oxononadecanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
312.2664 (neutral)    Calculate m/z:
Formula:C19H36O3
InChIKey:SFGWEVNROKIRBY-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Oxo fatty acids [FA0106]
SMILES:CCCCCCCCCCCCCCCCC(=O)CC(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5312919
LIPID MAPS ID:LMFA01060131
CHEBI ID:165434

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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