Metabolomics Structure Database

 
MW REGNO: 1886
Common Name:9-nitrooleic acid
Systematic Name:9-nitro-9E-octadecenoic acid
RefMet Name:9-Nitrooleic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
327.2410 (neutral)    Calculate m/z:
Formula:C18H33NO4
InChIKey:CQOAKBVRRVHWKV-SAPNQHFASA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Nitro fatty acids [FA0112]
SMILES:CCCCCCCC/C=C(CCCCCCCC(=O)O)/[N+](=O)[O-]
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

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

  logo