LMFA01120014 LIPID_MAPS_STRUCTURE_DATABASE 30 29 0 0 0 999 V2000 7.0037 -1.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8721 -2.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0037 -0.9724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -2.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2539 -1.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3789 -2.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5037 -1.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6288 -2.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7537 -1.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8785 -2.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0034 -1.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8653 -2.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -1.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7492 -1.1049 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6029 -2.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4716 -1.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3403 -2.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2091 -1.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0779 -2.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9466 -1.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8154 -2.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7492 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7492 2.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6179 0.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1711 1.1092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3122 -3.1860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8106 -4.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2812 -3.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 12 13 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 14 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 24 26 1 0 0 0 23 27 1 1 0 0 15 28 1 0 0 0 28 29 2 0 0 0 28 30 1 0 0 0 14 13 1 0 0 0 13 15 1 0 0 0 11 12 2 0 0 0 M CHG 2 28 1 30 -1 M END > LMFA01120014 > 11-cys-12-nitro-octadecenoic acid > 11-cysteinyl-12-nitro-9E-octadecenoic acid > C21H38N2O6S > 446.25 > Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01] > Nitro fatty acids [FA0112] > - > > - > - > - > - > - > - > - > - > - > 134812123 > - > - > Active > Characterization and quantiļ¬cation of endogenous fatty acid nitroalkene metabolites in human urine. Sonia R. Salvatore, Dario A. Vitturi, Paul R. S. Baker, Gustavo Bonacci, Jeffrey R. Koenitzer, Steven R. Woodcock, Bruce A. Freeman and Francisco J. Schopfer. Journal of Lipid Research. Volume 54, 2013. pp. 1998-2009. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3679401/ > https://www.lipidmaps.org/data/LMSDRecord.php?LMID=LMFA01120014 $$$$