{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002800","ANALYSIS_ID":"AN004556","VERSION":"1","CREATED_ON":"July 28, 2023, 1:48 pm"},

"PROJECT":{"PROJECT_TITLE":"Hepatic oxylipin profiles in mouse models of Wilson disease: new insights into early hepatic manifestations.","PROJECT_SUMMARY":"Hepatic inflammation is commonly identified in Wilson disease (WD), a genetic disease of hepatic and brain copper accumulation. Copper accumulation is associated with increased reactive oxygen species and activation of the non-enzymatic oxidation of membrane-bound polyunsaturated fatty acids (PUFA), with impairment of cellular structures and function. Products of PUFA oxidation are collectively known as oxylipins (OXL), which can also be produced via enzymatic pathways including lipoxygenases (LOXs), cyclooxygenases (COXs), and cytochrome P450 monooxygenases (CYPs). These bioactive lipids modulate hepatic inflammation. We aimed to examine hepatic OXLs profile at early stages of WD in mouse model of Wilson disease, the toxic milk from The Jackson Laboratory (tx-j) compared to mice with normal copper metabolism (C3H). Targeted lipidomic profiling of OXLs was performed by ultra-high-performance liquid chromatography-electrospray ionization-tandem mass spectrometry (UPLC-ESI-MS/MS) in livers from 16 weeks old male and female mice. Hepatic OXL profiles were altered, with higher levels of PUFA alcohols, diols, and ketones. Markers of oxidative stress, 9-HETE and 9-HEPE were increased in tx-j mice. Hepatic prostaglandin and thromboxane levels in the COX pathway were increased in tx-j mice. tx-j showed altered PUFA-epoxides, suggesting altered CYP(s) activities. Our findings suggest that both non-enzymatic ROS-dependent and enzymatic PUFAs oxidation via COX and LOX pathways are associated with early stages liver disease in WD. It also indicates altered CYPs activities in animal model of WD. These novel pathways could be the target for future therapies.","INSTITUTE":"University of California, Davis","DEPARTMENT":"Internal Medicine","LABORATORY":"Medici's Lab","LAST_NAME":"Sarode","FIRST_NAME":"Gaurav","ADDRESS":"Genome & Biomedical Sciences Facility, 451 E. Health Sciences Dr., Davis, CA, 95616, USA","EMAIL":"gsarode@ucdavis.edu","PHONE":"530752-6715"},

"STUDY":{"STUDY_TITLE":"Hepatic oxylipin profiles in mouse models of Wilson disease: new insights into early hepatic manifestations.","STUDY_SUMMARY":"Hepatic inflammation is commonly identified in Wilson disease (WD), a genetic disease of hepatic and brain copper accumulation. Copper accumulation is associated with increased reactive oxygen species and activation of the non-enzymatic oxidation of membrane-bound polyunsaturated fatty acids (PUFA), with impairment of cellular structures and function. Products of PUFA oxidation are collectively known as oxylipins (OXL), which can also be produced via enzymatic pathways including lipoxygenases (LOXs), cyclooxygenases (COXs), and cytochrome P450 monooxygenases (CYPs). These bioactive lipids modulate hepatic inflammation. We aimed to examine hepatic OXLs profile at early stages of WD in mouse model of Wilson disease, the toxic milk from The Jackson Laboratory (tx-j) compared to mice with normal copper metabolism (C3H). Targeted lipidomic profiling of OXLs was performed by ultra-high-performance liquid chromatography-electrospray ionization-tandem mass spectrometry (UPLC-ESI-MS/MS) in livers from 16 weeks old male and female mice. Hepatic OXL profiles were altered, with higher levels of PUFA alcohols, diols, and ketones. Markers of oxidative stress, 9-HETE and 9-HEPE were increased in tx-j mice. Hepatic prostaglandin and thromboxane levels in the COX pathway were increased in tx-j mice. tx-j showed altered PUFA-epoxides, suggesting altered CYP(s) activities. Our findings suggest that both non-enzymatic ROS-dependent and enzymatic PUFAs oxidation via COX and LOX pathways are associated with early stages liver disease in WD. It also indicates altered CYPs activities in animal model of WD. These novel pathways could be the target for future therapies.","INSTITUTE":"University of California, Davis","LAST_NAME":"Sarode","FIRST_NAME":"Gaurav","ADDRESS":"Genome & Biomedical Sciences Facility, 451 E. Health Sciences Dr., Davis, CA, 95616, USA","EMAIL":"gsarode@ucdavis.edu","PHONE":"530752-6715"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"900",
"Factors":{"Treatment":"C3H 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"044-1.A09-900_031"}
},
{
"Subject ID":"-",
"Sample ID":"901",
"Factors":{"Treatment":"C3H 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"035-1.A10-901_032"}
},
{
"Subject ID":"-",
"Sample ID":"902",
"Factors":{"Treatment":"C3H 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"013-1.A11-902_033"}
},
{
"Subject ID":"-",
"Sample ID":"903",
"Factors":{"Treatment":"C3H 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"041-1.A12-903_034"}
},
{
"Subject ID":"-",
"Sample ID":"904",
"Factors":{"Treatment":"C3H 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"040-1.B01-904_035"}
},
{
"Subject ID":"-",
"Sample ID":"905",
"Factors":{"Treatment":"C3H 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"022-1.B02-905_036"}
},
{
"Subject ID":"-",
"Sample ID":"906",
"Factors":{"Treatment":"C3H 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"016-1.B03-906_037"}
},
{
"Subject ID":"-",
"Sample ID":"908",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"045-1.B04-908_038"}
},
{
"Subject ID":"-",
"Sample ID":"909",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"046-1.B05-909_039"}
},
{
"Subject ID":"-",
"Sample ID":"910",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"021-1.B06-910_040"}
},
{
"Subject ID":"-",
"Sample ID":"911",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"037-1.B07-911_041"}
},
{
"Subject ID":"-",
"Sample ID":"912",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"014-1.B08-912_042"}
},
{
"Subject ID":"-",
"Sample ID":"913",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"042-1.B09-913_043"}
},
{
"Subject ID":"-",
"Sample ID":"914",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"034-1.B10-914_044"}
},
{
"Subject ID":"-",
"Sample ID":"915",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"038-1.B11-915_045"}
},
{
"Subject ID":"-",
"Sample ID":"916",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"039-1.B12-916_046"}
},
{
"Subject ID":"-",
"Sample ID":"917",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"020-1.C01-917_047"}
},
{
"Subject ID":"-",
"Sample ID":"918",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"032-1.C02-918_048"}
},
{
"Subject ID":"-",
"Sample ID":"919",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"023-1.C03-919_049"}
},
{
"Subject ID":"-",
"Sample ID":"920",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"025-1.C04-920_050"}
},
{
"Subject ID":"-",
"Sample ID":"921",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"033-1.C05-921_051"}
},
{
"Subject ID":"-",
"Sample ID":"922",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"015-1.C06-922_052"}
},
{
"Subject ID":"-",
"Sample ID":"923",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"018-1.C07-923_053"}
},
{
"Subject ID":"-",
"Sample ID":"924",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"036-1.C08-924_054"}
},
{
"Subject ID":"-",
"Sample ID":"925",
"Factors":{"Treatment":"tx-J 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"026-1.C09-925_055"}
},
{
"Subject ID":"-",
"Sample ID":"926",
"Factors":{"Treatment":"C3H 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"043-1.C10-926_056"}
},
{
"Subject ID":"-",
"Sample ID":"927",
"Factors":{"Treatment":"C3H 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"027-1.C11-927_057"}
},
{
"Subject ID":"-",
"Sample ID":"928",
"Factors":{"Treatment":"C3H 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"019-1.C12-928_058"}
},
{
"Subject ID":"-",
"Sample ID":"929",
"Factors":{"Treatment":"C3H 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"017-1.D01-929_059"}
},
{
"Subject ID":"-",
"Sample ID":"930",
"Factors":{"Treatment":"C3H 5001"},
"Additional sample data":{"Tissue":"Liver","RAW_FILE_NAME":"024-1.D02-930_060"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"The liver was isolated. All samples were stored at -80°C until further analysis.","SAMPLE_TYPE":"Liver"},

"TREATMENT":{"TREATMENT_SUMMARY":"NA"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Weigh 1-15 mg tissue aliquots on dry ice, record exact weights, place in 2-mL eppendorf tubes labeled on cap, keep frozen Add 10 µL anti-oxidant soln, (0.2 mg/ml solution BHT/EDTA in 1:1 meoh:water) Add 10 uL of surrogate standards Add 500 uL of cold methanol as extraction solvent and stainless steel grinding balls Homogenize using GenoGrinder 2x30 sec, centrifuge, transfer supernatant to a 1.5-mL eppendorf tube (Cryo-label on side) containing 10 µL 20% glycerol solution in MeOH Add a second aliquot of 500 uL of cold methanol to centrifugation pellet Homogenize using GenoGrinder 2x30 sec, centrifuge, combine this second supernatant with the first one in the 1.5-mL eppendorf tube Transfer vials to Speed-vac and evaporate to dryness or transfer to 96 well plate and Gene-Vac to dryness. Assure samples are dry before removing from evaporation process. Reconstitute samples for LC-MS in PHAU/CUDA 50 nM in methanol/ACN 50:50, vortex for 10 sec, then sonicate for 5 min. Set rack of samples on wet ice for 15min Centrifuge for 3 min at highest speed, then transfer supernatant to glass insert in amber HPLC vial / 96 well plate Store at -20°C until LCMS analysis"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Shimadzu Nexera X2","COLUMN_NAME":"Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um)","SOLVENT_A":"100% water; 0.1% acetic acid","SOLVENT_B":"90% acetonitrile/ 10% isopropanol","FLOW_GRADIENT":"75% ACN:IPA 90:10 (v/v) with 0.1% Acetic acid","FLOW_RATE":"0.6 mL/min","COLUMN_TEMPERATURE":"65°C"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"Oxy-EC_analysis_protocol.pdf"},

"MS":{"INSTRUMENT_NAME":"ABI Sciex 6500 QTrap","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"LC/MS on Thermo Scientific Vanquish UPLC/Sciex Qtrap with targeted MRM method (developed by Newman lab, optimized for Fiehn lab setup). See protocol file."},

"MS_METABOLITE_DATA":{
"Units":"nM",

"Data":[{"Metabolite":"Thromboxane B2","900":"0.944","901":"18.524","902":"2.209","903":"0.781","904":"2.111","905":"2.255","906":"1.729","908":"2.465","909":"1.588","910":"5.256","911":"8.955","912":"1.801","913":"1.104","914":"1.392","915":"1.838","916":"10.926","917":"4.922","918":"4.345","919":"2.087","920":"3.794","921":"5.555","922":"4.903","923":"7.924","924":"2.02","925":"1.575","926":"1.079","927":"1.622","928":"3.597","929":"4.347","930":"2.749"},{"Metabolite":"6-Ketoprostaglandin F1 alpha","900":"0.264","901":"0.102","902":"0.108","903":"0.071","904":"0.298","905":"1","906":"1.041","908":"2.63","909":"1.463","910":"2.538","911":"13.004","912":"3.211","913":"1.412","914":"4.627","915":"13.505","916":"16.213","917":"3.013","918":"2.526","919":"0.661","920":"5.798","921":"1.245","922":"2.678","923":"37.373","924":"3.371","925":"2.703","926":"1.682","927":"0.677","928":"2.123","929":"1.884","930":"1.083"},{"Metabolite":"Prostaglandin E1","900":"0.027","901":"0.022","902":"0.085","903":"0.028","904":"0.028","905":"0.016","906":"0.047","908":"0.065","909":"0.006","910":"0.055","911":"0.183","912":"0.037","913":"0.002","914":"0.052","915":"0.091","916":"1.694","917":"0.048","918":"0.042","919":"0.038","920":"0.067","921":"0.008","922":"0.019","923":"0.085","924":"0.007","925":"0.003","926":"0.002","927":"0.024","928":"0.096","929":"0.021","930":"0.053"},{"Metabolite":"Prostaglandin E2","900":"1.549","901":"0.051","902":"0.033","903":"0.463","904":"0.042","905":"0.086","906":"0.235","908":"0.681","909":"0.087","910":"0.024","911":"4.748","912":"53.001","913":"0.601","914":"0.031","915":"0.063","916":"8.194","917":"0.125","918":"0.046","919":"0.029","920":"1.921","921":"0.009","922":"0.008","923":"0.581","924":"0.055","925":"0.05","926":"0.148","927":"1.229","928":"0.118","929":"0.078","930":"0.086"},{"Metabolite":"Prostaglandin D2","900":"1.137","901":"0.154","902":"0.031","903":"1.026","904":"0.082","905":"0.07","906":"1.89","908":"0.805","909":"0.414","910":"0.07","911":"5.264","912":"62.083","913":"1.216","914":"0.102","915":"0.034","916":"9.623","917":"0.068","918":"0.038","919":"0.03","920":"0.436","921":"0.026","922":"0.049","923":"0.489","924":"0.147","925":"0.266","926":"1.905","927":"0.065","928":"0.157","929":"0.072","930":"0.275"},{"Metabolite":"15-Deoxy-delta-12,14-Prostaglandin J2","900":"0.399","901":"0.548","902":"0.908","903":"0.355","904":"0.309","905":"0.694","906":"0.956","908":"0.535","909":"0.423","910":"0.83","911":"0.757","912":"0.793","913":"0.41","914":"0.473","915":"0.354","916":"0.508","917":"0.526","918":"0.518","919":"0.488","920":"0.076","921":"0.719","922":"0.93","923":"0.607","924":"0.375","925":"0.781","926":"0.059","927":"0.557","928":"0.323","929":"0.321","930":"0.07"},{"Metabolite":"15-Keto-prostaglandin E2","900":"1.158","901":"1.54","902":"6.687","903":"0.964","904":"1.476","905":"0.927","906":"2.003","908":"2.868","909":"2.332","910":"2.971","911":"2.805","912":"5.292","913":"2.587","914":"3.208","915":"215.698","916":"4.258","917":"2.674","918":"2.296","919":"1.741","920":"5.306","921":"2.916","922":"10.493","923":"4.9","924":"4.53","925":"0.977","926":"0.556","927":"9.936","928":"4.575","929":"3.427","930":"1.953"},{"Metabolite":"Prostaglandin F2a","900":"0.094","901":"0.229","902":"1.205","903":"0.524","904":"0.068","905":"0.271","906":"1.251","908":"9.851","909":"1.765","910":"1.849","911":"64.762","912":"1.749","913":"1.367","914":"1.552","915":"5.709","916":"62.378","917":"1.766","918":"0.287","919":"0.778","920":"11.38","921":"1.849","922":"1.031","923":"10.962","924":"2.175","925":"0.986","926":"0.593","927":"0.11","928":"0.243","929":"0.311","930":"0.201"},{"Metabolite":"Prostaglandin E3","900":"0.032","901":"0.741","902":"83.751","903":"0.261","904":"0.08","905":"0.074","906":"30.325","908":"0.102","909":"0.066","910":"1.533","911":"0.642","912":"0.157","913":"0.03","914":"0.159","915":"0.096","916":"1.23","917":"0.046","918":"0.037","919":"0.017","920":"0.093","921":"0.166","922":"0.071","923":"0.054","924":"0.027","925":"0.098","926":"0.075","927":"2.066","928":"2.775","929":"0.457","930":"0.963"},{"Metabolite":"9,11,15-trihydroxy-5,13,1Z-prostatrienoic acid","900":"0.947","901":"2.285","902":"1.624","903":"0.051","904":"0.503","905":"2.095","906":"0.735","908":"2.158","909":"0.057","910":"0.084","911":"7.835","912":"7.766","913":"0.329","914":"0.67","915":"11.486","916":"5.376","917":"0.027","918":"0.013","919":"5.843","920":"1.782","921":"0.01","922":"0.901","923":"1.457","924":"5.042","925":"0.565","926":"0.026","927":"0.365","928":"3.36","929":"0.54","930":"0.89"},{"Metabolite":"9,12,13-trihydroxyoctadec-10-enoic acid","900":"46.614","901":"74.574","902":"21.701","903":"8.876","904":"9.928","905":"18.106","906":"11.077","908":"21.096","909":"12.93","910":"13.309","911":"11.727","912":"3.454","913":"7.064","914":"12.459","915":"11.443","916":"25.962","917":"12.06","918":"26.38","919":"15.679","920":"10.532","921":"32.398","922":"6.1","923":"13.791","924":"21.126","925":"22.587","926":"10.315","927":"13.757","928":"9.171","929":"16.527","930":"15.065"},{"Metabolite":"5,6,15-trihydroxyeicosa-7,9,11,13-tetraenoic acid","900":"0.132","901":"0.86","902":"0.559","903":"0.445","904":"0.292","905":"0.405","906":"0.366","908":"0.218","909":"0.278","910":"0.071","911":"0.274","912":"8.408","913":"0.126","914":"0.591","915":"4.07","916":"1.316","917":"1.105","918":"4.478","919":"0.156","920":"6.22","921":"0.309","922":"0.718","923":"0.364","924":"0.741","925":"0.396","926":"0.173","927":"0.884","928":"3.877","929":"2.479","930":"0.227"},{"Metabolite":"Resolvin D1","900":"0.029","901":"0.071","902":"0.249","903":"0.05","904":"0.021","905":"0.057","906":"0.034","908":"0.04","909":"0.045","910":"0.152","911":"0.087","912":"3.849","913":"0.024","914":"0.065","915":"0.108","916":"0.024","917":"0.283","918":"0.116","919":"0.159","920":"0.015","921":"0.12","922":"0.056","923":"0.033","924":"0.034","925":"0.039","926":"0.073","927":"0.136","928":"0.212","929":"0.138","930":"0.256"},{"Metabolite":"9S,10R-dihydroxy-stearic acid","900":"42.286","901":"70.153","902":"57.491","903":"29.827","904":"35.871","905":"61.013","906":"44.013","908":"26.572","909":"27.197","910":"34.645","911":"25.49","912":"25.699","913":"14.169","914":"29.261","915":"26.714","916":"41.018","917":"32.307","918":"55.17","919":"25.971","920":"20.26","921":"37.716","922":"20.913","923":"32.133","924":"39.371","925":"35.428","926":"39.799","927":"60.053","928":"47.381","929":"51.836","930":"45.084"},{"Metabolite":"12,13-dihydroxyoctadec-9-enoic acid","900":"24.12","901":"33.76","902":"34.187","903":"24.041","904":"13.323","905":"31.169","906":"32.146","908":"12.587","909":"15.732","910":"21.923","911":"23.199","912":"14.073","913":"10.22","914":"17.711","915":"14.448","916":"27.045","917":"17.485","918":"16.555","919":"18.508","920":"14.449","921":"15.01","922":"20.643","923":"13.878","924":"24.93","925":"18.428","926":"23.294","927":"32.326","928":"17.685","929":"25.779","930":"25.061"},{"Metabolite":"9,10-dihydroxyoctadec-12-enoic acid","900":"2.022","901":"2.592","902":"1.97","903":"0.911","904":"0.833","905":"1.942","906":"2.356","908":"1.079","909":"1.018","910":"1.565","911":"1.624","912":"0.803","913":"0.701","914":"1.142","915":"0.668","916":"1.835","917":"1.235","918":"1.485","919":"1.251","920":"0.799","921":"1.889","922":"1.575","923":"0.903","924":"1.82","925":"1.541","926":"1.495","927":"1.823","928":"1.451","929":"1.876","930":"1.416"},{"Metabolite":"15,16-dihydroxyoctadeca-9,12-dienoic 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Key":"JSFATNQSLKRBCI-VAEKSGALSA-N","PubChem":"5280724","Ret.Time":"11.27"},{"Metabolite":"12-Hydroxy-5,8,10,14-eicosatetraenoic acid","approved short names":"12S-HETE","InChI Key":"ZNHVWPKMFKADKW-LQWMCKPYSA-N","PubChem":"5283155","Ret.Time":"11.96"},{"Metabolite":"8-hydroxyeicosa-5,9,11,14-tetraenoic acid","approved short names":"8S-HETE","InChI Key":"NLUNAYAEIJYXRB-VYOQERLCSA-N","PubChem":"5283154","Ret.Time":"12.1"},{"Metabolite":"11-Hydroxy-arachidonic acid","approved short names":"11-HETE","InChI Key":"GCZRCCHPLVMMJE-RSPKXIRXSA-N","PubChem":"5312981","Ret.Time":"11.71"},{"Metabolite":"9-hydroxyeicosa-5,7,11,14-tetraenoic acid","approved short names":"9-HETE","InChI Key":"KATOYYZUTNAWSA-OIZRIKEUSA-N","PubChem":"14123398","Ret.Time":"12.31"},{"Metabolite":"5-Hydroxy-6,8,11,14-eicosatetraenoic acid","approved short names":"5-HETE","InChI Key":"KGIJOOYOSFUGPC-JGKLHWIESA-N","PubChem":"5280733","Ret.Time":"12.68"},{"Metabolite":"12-Hydroxy-5,8,10,14,17-eicosapentaenoic acid","approved short names":"12S-HEPE","InChI Key":"MCRJLMXYVFDXLS-UOLHMMFFSA-N","PubChem":"5283191","Ret.Time":"10.4"},{"Metabolite":"9-Hydroxy-5,7,11,14,17-icosapentaenoic acid","approved short names":"9-HEPE","InChI Key":"OXOPDAZWPWFJEW-IMCWFPBLSA-N","PubChem":"16061129","Ret.Time":"10.61"},{"Metabolite":"5-Hydroxy-6,8,11,14,17-eicosapentaenoic acid","approved short names":"5S-HEPE","InChI Key":"FTAGQROYQYQRHF-GHWNLOBHSA-N","PubChem":"5283193","Ret.Time":"11"},{"Metabolite":"17-hydroxy-4,7,10,13,15,19-docosahexaenoic acid","approved short names":"17-HDoHE","InChI Key":"SWTYBBUBEPPYCX-VIIQGJSXSA-N","PubChem":"6439179","Ret.Time":"11.39"},{"Metabolite":"14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid","approved short names":"14-HDoHE","InChI Key":"ZNEBXONKCYFJAF-BGKMTWLOSA-N","PubChem":"11566378","Ret.Time":"11.7"},{"Metabolite":"4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid","approved short names":"4-HDoHE","InChI Key":"IFRKCNPQVIJFAQ-PQVBWYSWSA-N","PubChem":"14429109","Ret.Time":"13.02"},{"Metabolite":"13-ketooctadeca-9,11-dienoic acid","approved short names":"13-KODE","InChI Key":"JHXAZBBVQSRKJR-BSZOFBHHSA-N","PubChem":"6446027","Ret.Time":"11.33"},{"Metabolite":"9-ketooctadeca-10,12-dienoic acid","approved short names":"9-KODE","InChI Key":"LUZSWWYKKLTDHU-ZJHFMPGASA-N","PubChem":"9839084","Ret.Time":"11.78"},{"Metabolite":"15-ketoeicosa-5,8,11,13-tetraenoic acid","approved short names":"15-KETE","InChI Key":"YGJTUEISKATQSM-USWFWKISSA-N","PubChem":"5280701","Ret.Time":"11.63"},{"Metabolite":"5-ketoeicosa-6,8,11,14-tetraenoic acid","approved short names":"5-KETE","InChI Key":"MEASLHGILYBXFO-XTDASVJISA-N","PubChem":"5283159","Ret.Time":"13.39"},{"Metabolite":"9,10-Epoxystearic acid","approved short names":"910-EpO","InChI Key":"IMYZYCNQZDBZBQ-UHFFFAOYSA-N","PubChem":"15868","Ret.Time":"14.44"},{"Metabolite":"trans-12,13-epoxy-11-oxo-trans-9-octadecenoic acid","approved short names":"12(13)Ep-9-KODE","InChI Key":"RCMABBHQYMBYKV-BUHFOSPRSA-N","PubChem":"5283007","Ret.Time":"9.5"},{"Metabolite":"12,13-epoxy-9-octadecenoic acid","approved short names":"12(13)-EpOME","InChI Key":"CCPPLLJZDQAOHD-FLIBITNWSA-N","PubChem":"5356421","Ret.Time":"12.81"},{"Metabolite":"9(10)-epoxy-12Z-octadecenoic acid","approved short names":"9(10)-EpOME","InChI Key":"FBUKMFOXMZRGRB-YFHOEESVSA-N","PubChem":"6246154","Ret.Time":"13.04"},{"Metabolite":"15(16)-epoxy-9,12-octadecadienoic acid","approved short names":"1516-EpODE","InChI Key":"HKSDVVJONLXYKL-OHPMOLHNSA-N","PubChem":"16061062","Ret.Time":"11.15"},{"Metabolite":"9(10)-epoxy-12,15-octadecadienoic acid","approved short names":"Alpha-9(10)-EpODE","InChI Key":"JTEGNNHWOIJBJZ-ZJSQCTGTSA-N","PubChem":"16061060","Ret.Time":"11.35"},{"Metabolite":"12(13)-epoxy-9,15-octadecadienoic acid","approved short names":"alpha-12(13)-EpODE","InChI Key":"BKKGUKSHPCTUGE-OOHFSOINSA-N","PubChem":"16061061","Ret.Time":"11.55"},{"Metabolite":"11-Hydroxy-14,15-epoxyeicosatrienoic acid","approved short names":"1415-EpETrE","InChI Key":"JBSCUHKPLGKXKH-ILYOTBPNSA-N","PubChem":"5283205","Ret.Time":"12.91"},{"Metabolite":"11,12-Epoxyeicosa-5,8,14-trienoic acid","approved short names":"1112-EpETrE","InChI Key":"DXOYQVHGIODESM-KROJNAHFSA-N","PubChem":"5283204","Ret.Time":"13.39"},{"Metabolite":"8,9-Epoxyeicosa-5,11,14-trienoic acid","approved short names":"8(9)-EpETrE","InChI Key":"DBWQSCSXHFNTMO-TYAUOURKSA-N","PubChem":"5283203","Ret.Time":"13.59"},{"Metabolite":"17,18-Epoxy-5,8,11,14-eicosatetraenoic acid","approved short names":"17(18)-EpETE","InChI Key":"GPQVVJQEBXAKBJ-JPURVOHMSA-N","PubChem":"16061089","Ret.Time":"11.25"},{"Metabolite":"14(15)-epoxy-5,8,11,17-eicosatetraenoic acid","approved short names":"14(15)-EpETE","InChI Key":"RGZIXZYRGZWDMI-QXBXTPPVSA-N","PubChem":"16061088","Ret.Time":"11.72"},{"Metabolite":"11(12)-epoxy-5,8,14,17- eicosatetraenoic acid","approved short names":"11(12)-EpETE","InChI Key":"QHOKDYBJJBDJGY-BVILWSOJSA-N","PubChem":"16061087","Ret.Time":"11.87"},{"Metabolite":"18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,16-pentaenoic acid","approved short names":"19(20)-EpDPE","InChI Key":"OSXOPUBJJDUAOJ-MBYQGORISA-N","PubChem":"11631565","Ret.Time":"12.65"},{"Metabolite":"16(17)-epoxy-4,7,10,13,19-docosapentaenoic acid","approved short names":"16(17)-EpDPE","InChI Key":"BCTXZWCPBLWCRV-ZYADFMMDSA-N","PubChem":"14392758","Ret.Time":"13.04"},{"Metabolite":"10-nitrooleic acid","approved short names":"10-Nitrooleate","InChI Key":"WRADPCFZZWXOTI-BMRADRMJSA-N","PubChem":"24836820","Ret.Time":"14.84"},{"Metabolite":"9-nitrooleic acid","approved short names":"9-Nitrooleate","InChI Key":"CQOAKBVRRVHWKV-SAPNQHFASA-N","PubChem":"11645581","Ret.Time":"14.79"},{"Metabolite":"10-nitrolinoleic acid","approved short names":"10-Nitrolinoleate","InChI Key":"LELVHAQTWXTCLY-XYWKCAQWSA-N","PubChem":"5282259","Ret.Time":"13.85"}]
}

}