#METABOLOMICS WORKBENCH hormel101_20161214_144126_mwtab.txt DATATRACK_ID:800 STUDY_ID:ST000525 ANALYSIS_ID:AN000803 PROJECT_ID:PR000387 VERSION 1 CREATED_ON December 30, 2016, 2:44 pm #PROJECT PR:PROJECT_TITLE Mayo Metabolomics Pilot and Feasibility Award: Effects of Curcumin PR:PROJECT_TITLE Supplementation on the Plasma Metabolome of Older Adults: Relation to Vascular PR:PROJECT_TITLE Function PR:PROJECT_SUMMARY Age is the major risk factor for cardiovascular diseases (CVD). Two key PR:PROJECT_SUMMARY contributors to the increased risk of CVD in middle-aged and older (MA/O) adults PR:PROJECT_SUMMARY are stiffening of the large elastic arteries and the development of vascular PR:PROJECT_SUMMARY endothelial dysfunction, indicated by impaired nitric oxide (NO)-induced PR:PROJECT_SUMMARY endothelium-dependent dilation (EDD). The mechanisms by which aging causes PR:PROJECT_SUMMARY arterial dysfunction are incompletely understood, but involve reductions in NO PR:PROJECT_SUMMARY bioavailability associated with the development of oxidative stress and PR:PROJECT_SUMMARY inflammation. Thus, establishing novel strategies to reduce arterial stiffness PR:PROJECT_SUMMARY and increase vascular endothelial function in MA/O adults by increasing NO PR:PROJECT_SUMMARY bioavailability and reducing oxidative stress and inflammation are a high PR:PROJECT_SUMMARY biomedical research priority. Curcumin is a naturally occurring phenol found in PR:PROJECT_SUMMARY the Indian spice turmeric that improves physiological function in animal models PR:PROJECT_SUMMARY of age-related diseases and is a promising nutraceutical for intervention for PR:PROJECT_SUMMARY promoting healthy aging. Our preclinical results indicate that chow supplemented PR:PROJECT_SUMMARY with curcumin reduces aortic pulse wave velocity (PWV), the most common and PR:PROJECT_SUMMARY clinically important measure of large elastic artery stiffness, restores PR:PROJECT_SUMMARY NO-mediated EDD and reduces arterial oxidative stress and inflammation in old PR:PROJECT_SUMMARY C57/BL6 mice. Preliminary data from our recently funded NIH R21 pilot grant PR:PROJECT_SUMMARY indicate that curcumin supplementation improves vascular function in humans. It PR:PROJECT_SUMMARY is possible that changes in the circulating (plasma) metabolome with oral PR:PROJECT_SUMMARY curcumin supplementation will provide insight into novel metabolic mechanisms by PR:PROJECT_SUMMARY which curcumin may improve vascular function. The goal of this project is to PR:PROJECT_SUMMARY identify key metabolic pathways that change with oral curcumin supplementation PR:PROJECT_SUMMARY and to relate those changes with improvements in vascular function in MA/O PR:PROJECT_SUMMARY adults with initial endothelial dysfunction. Metabolomic analysis of plasma PR:PROJECT_SUMMARY samples at baseline also may produce unique molecular signatures that predict PR:PROJECT_SUMMARY responsiveness (changes in vascular function) to curcumin supplementation among PR:PROJECT_SUMMARY individuals. PR:INSTITUTE Mayo Clinic PR:LAST_NAME Seals PR:FIRST_NAME Douglas PR:ADDRESS Department of Integrative Physiology University of Colorado Boulder, CO 80309 PR:EMAIL seals@colorado.edu PR:PHONE 303-492-5305 #STUDY ST:STUDY_TITLE Effects of Curcumin Supplementation on the Non‐Esterified Fatty Acids ST:STUDY_TITLE concentration of Older Adults: Relation to Vascular Function ST:STUDY_SUMMARY Perform non-esterified fatty acid concentrations metabolite analysis related to ST:STUDY_SUMMARY nitric oxide biology, oxidative stress and inflammation in plasma before and ST:STUDY_SUMMARY after 12 weeks of oral curcumin (2000 mg/d) or placebo (double-blind, ST:STUDY_SUMMARY randomized) in men and women aged 45-79 years who are free from clinical ST:STUDY_SUMMARY cardiovascular disease. ST:INSTITUTE Mayo Clinic ST:LAST_NAME Seals ST:FIRST_NAME Douglas ST:ADDRESS Department of Integrative Physiology University of Colorado Boulder, CO 80309 ST:EMAIL seals@colorado.edu ST:PHONE 303-492-5305 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS IF131 ms5534-1 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU02 ms5534-2 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU02 ms5534-3 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU06 ms5534-4 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU06 ms5534-5 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS IF145 ms5534-6 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU10 ms5534-7 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU10 ms5534-8 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU11 ms5534-9 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU11 ms5534-10 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS IF119 ms5534-11 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU14 ms5534-12 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU14 ms5534-13 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU20 ms5534-14 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU20 ms5534-15 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS 9758 ms5534-16 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU22 ms5534-17 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU22 ms5534-18 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU23 ms5534-19 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU23 ms5534-20 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU24 ms5534-21 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU24 ms5534-22 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS 9737 ms5534-23 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU28 ms5534-24 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU28 ms5534-25 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU31 ms5534-26 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU31 ms5534-27 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU33 ms5534-28 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU33 ms5534-29 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS 6218 ms5534-30 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU34 ms5534-31 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU34 ms5534-32 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU36 ms5534-33 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU36 ms5534-34 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU40 ms5534-35 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU40 ms5534-36 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS EC96 ms5534-37 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS 9732 ms5589-1 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU46 ms5589-2 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU46 ms5589-3 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU48 ms5589-4 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU48 ms5589-5 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS 9735 ms5589-6 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU49 ms5589-7 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU49 ms5589-8 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU51 ms5589-9 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU51 ms5589-10 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS 9760 ms5589-11 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU52 ms5589-12 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU52 ms5589-13 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU54 ms5589-14 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU54 ms5589-15 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS 9727 ms5589-16 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU56 ms5589-17 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU56 ms5589-18 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU57 ms5589-19 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU57 ms5589-20 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU58 ms5589-21 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU58 ms5589-22 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS IF152 ms5589-23 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU60 ms5589-24 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU60 ms5589-25 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU63 ms5589-26 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU63 ms5589-27 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU65 ms5589-28 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU65 ms5589-29 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS 9759 ms5589-30 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU66 ms5589-31 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU66 ms5589-32 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU71 ms5589-33 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU71 ms5589-34 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU75 ms5589-35 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU75 ms5589-36 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS IF182 ms5589-37 group:young | Time point:Baseline #COLLECTION CO:COLLECTION_SUMMARY Healthy men & women aged 45-79 without clinical CVD, but with below normal CO:COLLECTION_SUMMARY baseline endothelial dysfunction (FMDBA < 7%). #TREATMENT TR:TREATMENT_SUMMARY "A 12-week randomized, double-blind, placebo controlled study will be conducted. TR:TREATMENT_SUMMARY After CTRC screening for inclusion/exclusion criteria, qualified subjects will TR:TREATMENT_SUMMARY be randomly assigned to 1 of 2 groups. The investigators involved in the TR:TREATMENT_SUMMARY acquisition and analysis of key outcomes will be blinded to the curcumin intake TR:TREATMENT_SUMMARY status of the subjects. With the assistance of dietary monitoring from the TR:TREATMENT_SUMMARY UC-Boulder CTRC bionutritionists, subjects will maintain their baseline diet TR:TREATMENT_SUMMARY with either unchanged (control) or enhanced curcumin intake delivered as TR:TREATMENT_SUMMARY capsules (Longvida®, Verdure Sciences): Group 1 = placebo (inert substances); TR:TREATMENT_SUMMARY Group 2 = curcumin (2000mg curcumin/day). Extensive published work has TR:TREATMENT_SUMMARY established that the curcumin dose of 2000 mg/day is well tolerated and safe. TR:TREATMENT_SUMMARY Sessions 1 & 2: Screening measurements. Session 3: Baseline measurements and TR:TREATMENT_SUMMARY blood draw. Sessions 4-8 (every other week to assess adherence and overall TR:TREATMENT_SUMMARY subject well-being): Body weight, BP, adherence, discuss any problems. Session TR:TREATMENT_SUMMARY 9: Identical to session 3 (stop intake of capsules after completion of TR:TREATMENT_SUMMARY post-testing)." #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Venous blood sampling. All blood samples are handled in a similar time frame and SP:SAMPLEPREP_SUMMARY immediately spun to extract plasma and stored in our -80 freezer until ready for SP:SAMPLEPREP_SUMMARY analysis. NEFA concentrations were measured. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity CH:COLUMN_NAME Waters Acquity BEH C18 (150 x 2.1mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6460 QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS uM MS_METABOLITE_DATA_START Samples ms5534-1 ms5534-2 ms5534-3 ms5534-4 ms5534-5 ms5534-6 ms5534-7 ms5534-8 ms5534-9 ms5534-10 ms5534-11 ms5534-12 ms5534-13 ms5534-14 ms5534-15 ms5534-16 ms5534-17 ms5534-18 ms5534-19 ms5534-20 ms5534-21 ms5534-22 ms5534-23 ms5534-24 ms5534-25 ms5534-26 ms5534-27 ms5534-28 ms5534-29 ms5534-30 ms5534-31 ms5534-32 ms5534-33 ms5534-34 ms5534-35 ms5534-36 ms5534-37 ms5589-1 ms5589-2 ms5589-3 ms5589-4 ms5589-5 ms5589-6 ms5589-7 ms5589-8 ms5589-9 ms5589-10 ms5589-11 ms5589-12 ms5589-13 ms5589-14 ms5589-15 ms5589-16 ms5589-17 ms5589-18 ms5589-19 ms5589-20 ms5589-21 ms5589-22 ms5589-23 ms5589-24 ms5589-25 ms5589-26 ms5589-27 ms5589-28 ms5589-29 ms5589-30 ms5589-31 ms5589-32 ms5589-33 ms5589-34 ms5589-35 ms5589-36 ms5589-37 Factors group:young | Time point:Baseline group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:young | Time point:Baseline group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:young | Time point:Baseline group:young | Time point:Baseline group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:young | Time point:Baseline group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:young | Time point:Baseline EPA 0.821007167 0.897522353 1.08180422 0.691697404 0.79137835 0.972392406 0.698240603 1.100877279 2.66877393 1.885988898 0.659839428 2.130689091 1.442113806 0.659660872 0.961084069 0.249230764 4.090242234 2.962343053 4.893305854 3.253959856 2.10273327 1.22877447 1.446834907 5.353485696 4.245361031 1.536499048 1.725937076 1.53896959 0.958492647 1.131654215 3.116056415 2.306645456 1.266445653 1.373588372 2.379322341 2.788229362 0 0.702144556 1.675220221 2.05371863 1.439547438 1.500498642 9.96404668 0 0.925529439 1.996222328 2.092623648 0 1.425077255 1.482829926 2.143999463 2.260558292 2.345644985 5.339212973 4.165631271 0.965024457 0.970608651 2.862207033 3.902890596 0 1.04680491 0.936737303 4.447755016 4.664480485 0 0 0.712532503 3.61832839 2.250149467 2.673523456 1.749164796 1.383525606 1.224042323 0.950497163 linolenic 2.39815757 4.144563514 4.585642036 3.14200326 2.659366466 5.014621699 3.840751018 6.822789762 6.263443558 5.122850931 2.626064175 5.582506011 3.717110332 1.748109097 2.144980994 1.631550176 6.801796544 6.325850899 5.912991548 5.168590441 10.71006711 4.536255017 4.750989925 4.030152756 2.953444777 4.603026636 4.217426887 8.023869687 4.937727765 4.185769651 10.94914415 9.497160722 3.023796575 3.684923546 6.85999338 6.550270794 1.652827237 3.791504731 4.695666009 4.370534018 5.750347329 5.00877742 4.122531577 4.108017554 6.117762181 2.557488137 1.535109199 4.917954468 4.582259132 2.575349858 5.257673142 7.140779903 5.143187213 6.015349768 5.079615425 4.069993882 2.916171998 3.189471559 5.210422947 2.382320119 7.977432417 8.293887057 14.23373187 15.10721822 2.949585498 2.126719953 4.038510643 2.811217365 1.764988886 4.699151993 3.493009119 4.735643312 2.961916207 4.864996577 DHA 1.110065771 1.42478864 1.300901374 1.171125102 1.121373253 1.893648241 0.981896453 1.260963288 2.774145458 2.465387133 0.869523258 1.943799349 1.613876861 1.116283477 1.038757626 1.129507396 2.839095186 2.570614866 3.536591032 2.931002211 2.345749002 1.649299993 2.175402044 4.351360105 3.688410313 2.315241104 2.34382957 1.317385877 1.06164858 0.712828276 2.586208439 3.18632199 1.766366008 1.644289287 1.730970682 2.189357762 0.783529586 0.366313615 1.19817518 1.399128791 1.675874589 1.87604115 10.62525868 0.407637871 0.428946229 1.675030529 1.51760674 0.301112826 1.190617067 0.889642973 1.725182997 1.750987356 3.936886657 7.29809198 5.062868944 0.72370331 1.320920403 3.559224393 5.655699726 0.586383406 0.902524851 0.677968508 5.093523516 4.072726879 0.300159469 0.531622986 0.604819344 2.50770202 1.220129384 3.505737654 2.370339628 1.259739454 0.971891564 0.680756537 myristic 1.510383795 3.26165989 3.834141141 3.68066635 3.424967451 5.819630392 3.050734484 5.939729452 8.37215563 6.843451763 3.49425251 4.682288689 3.317487576 1.734053925 2.517589901 2.284571131 3.614162221 3.688796502 6.639495308 5.371837659 10.40084604 4.67851893 3.560330176 4.240594866 3.85136757 4.538571517 3.710397562 7.578524396 4.688368246 1.436635154 3.842231573 3.416799232 3.406795275 3.702306573 3.406789002 3.756594097 1.248650479 3.005505802 5.906480326 5.282432462 6.55579005 5.036802434 4.649038447 5.220694409 8.868005821 1.647505895 1.426918435 2.349608391 6.488627369 2.990509945 5.953900614 6.455493567 4.215531206 7.84645171 7.484375684 3.391322209 1.646938252 1.624340346 3.0419088 1.430331341 4.412845848 5.578699013 8.508789826 8.653955427 1.475784766 0.727551462 3.946807016 4.156975572 2.897805478 5.172352328 3.117333022 5.035507723 3.489320295 2.539310527 palmitoleic 1.415395378 6.615137188 7.218997548 6.304266127 4.738442356 11.26058324 5.910856757 10.4788598 9.781413766 7.634846381 4.300357915 9.440712792 5.238999888 2.454231156 3.430961617 2.021719149 6.177635816 6.436320178 14.01194601 11.19535066 8.779075574 3.205253564 4.117963237 7.581134728 6.92090945 6.482394106 5.515731776 18.93522195 12.59077682 3.379024009 6.131830139 5.959519483 6.522408821 6.842570467 7.507562062 8.110037026 1.099483414 4.921976386 9.743912948 8.324033368 13.93022153 10.66069939 4.735109484 4.384505729 8.404106969 3.164478683 2.272300775 3.168273458 13.35533022 6.804028809 7.626393287 7.882982619 9.287670201 17.81316041 18.33145848 2.176022643 1.492936731 3.021980024 5.154732958 3.135701457 10.74756915 11.41654045 15.58826291 15.62524797 3.097415285 1.668458002 4.473720222 6.282328171 4.914200746 10.7363449 8.394371583 9.783555538 6.935525058 4.143953708 arachidonic 1.387424348 1.820943076 1.997575307 1.386673307 1.368254645 1.840242498 1.31998655 1.675602012 1.918165477 1.424848227 1.185510998 1.695632575 1.372995507 0.93102614 0.963835721 1.293109002 1.765044172 1.539819792 2.052282161 1.816811498 2.263591288 1.272031064 1.055901371 1.313390389 1.13788583 1.678020405 1.475785209 2.448028765 1.867471044 1.468558901 1.356359668 1.292123535 1.309947393 1.202701575 1.188016786 1.499849506 2.151363863 1.406763304 2.31964186 2.464556948 2.64213982 2.276171497 2.530651457 1.70278473 1.88533187 0.925401856 0.767528491 1.375807606 1.580494368 1.000517317 2.453028703 2.541203104 1.866385286 2.60144344 2.484950216 1.884262561 2.077893859 0.870794886 1.551448142 0.969987596 1.69761579 1.565518985 2.528182615 2.066778134 1.412638243 1.296879941 1.844022864 1.654518004 1.012175917 1.244067817 1.161401873 2.507107569 2.062706493 1.225270926 palmitelaidic 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 linoleic 15.38403705 48.09336669 51.70637644 43.57600323 34.20656787 55.91091068 38.71452945 57.2154486 54.72528424 42.40473492 24.8613778 34.46680356 23.71163313 16.04427884 19.73870419 14.90389914 50.62596675 49.04959527 52.81634843 42.05076974 63.75299245 30.98738 39.0250583 33.83643629 29.36351976 41.7259651 36.70469523 67.93444546 48.99409058 32.60470035 38.62721228 38.74374332 29.91320299 31.86395486 37.16756555 35.73687824 13.96311407 29.13170029 38.69102543 37.3593772 51.99399 41.81424151 25.78644225 54.03771286 66.66766545 18.56128559 13.34562809 49.09549456 36.21485516 18.89650382 52.31176246 55.61787158 49.44955544 39.64115429 42.68900712 36.89168802 25.70577894 35.97763529 55.33690036 20.76692614 63.75803158 73.59534741 78.59257707 80.27206844 35.43052904 25.06492163 28.5494761 25.09012889 17.86401086 32.18528809 25.3361195 39.95141378 30.0833908 33.7632231 palmitic 16.78514288 71.49945728 79.34454576 64.28265767 58.06943961 92.13452748 53.16754253 73.16111484 99.57142285 80.496978 39.58827595 52.32328995 42.54361133 25.97839461 32.10201179 26.52517171 58.09530524 56.06622171 99.19790087 75.44203155 93.22457302 49.05502088 45.90601759 49.35747506 42.02668425 63.57780777 54.93310664 81.42463404 64.21121699 30.2605498 60.15448917 59.66785313 45.63698292 49.93092829 49.90948841 46.15529575 15.89462583 34.12734338 79.62736299 72.15225503 90.28561838 66.23829064 47.64205765 96.06881468 116.4481218 28.81079868 23.05108967 51.64103508 60.92254883 31.48046327 83.3864453 77.25680239 77.23061193 83.40309885 93.07594964 56.35504675 32.10048157 42.92203539 68.82184609 29.53661428 70.72354631 84.33921118 88.3598694 84.34380474 38.67866615 28.05290705 42.8548909 56.27468714 39.15760776 58.75560017 44.00823875 89.72652354 69.43767368 49.86308598 oleic 25.49151914 128.6877711 140.055405 119.0809028 105.3750634 137.1079234 100.8949536 129.7316311 134.9900794 108.9082801 61.25269081 95.38607938 69.31235538 60.07287574 76.22572304 36.31361146 108.9093683 110.3728511 147.3315876 115.7295883 142.3168034 73.22866734 83.68647751 102.7298793 102.0061766 97.48621255 83.85722689 145.1220083 124.308706 60.04682186 120.7489411 117.8417245 102.6051243 92.71323515 105.7023653 101.4913281 19.75736774 59.81526147 129.3516526 120.0153001 152.4445853 119.3183912 58.57892908 158.169151 188.2769805 62.04493877 45.15657281 83.05459413 115.407846 63.00364329 126.2681763 116.2661927 131.0485153 159.0704973 188.2804145 100.9378815 60.03436695 83.70097617 123.8233223 52.76000132 153.8945121 172.4514465 170.4477232 175.5857646 112.4801268 81.80678103 59.10603298 103.4935699 91.88874574 107.8639855 92.35720647 107.1104701 93.92525973 69.23760167 elaidic 1.26159862 4.686730983 5.398255866 4.485816906 3.597270987 4.90297621 5.183476899 6.557280636 4.58098533 3.783668089 2.908753914 2.056907718 1.823990737 1.440769297 1.645154302 2.252059967 2.380666829 2.266842075 4.247606569 3.066219767 3.603800396 2.353006389 4.921833247 2.387514189 2.298253039 3.510875576 2.80333985 4.804979925 4.469112859 2.762105275 2.304568095 2.35551687 2.354341216 2.04192708 2.176847326 2.302984117 1.852586823 3.398063271 3.759811448 3.021562903 4.997761313 3.8564681 3.310677461 5.650838836 6.566906273 1.269265946 1.18282469 3.238988067 3.256821999 1.918120633 4.676342952 3.923667101 6.424616214 3.545035748 4.463822617 3.133532571 1.378864856 1.792287929 4.180115719 2.674920991 3.242132211 3.785422812 3.194679529 2.558407293 1.526559796 1.22814384 2.9883811 2.153241509 1.471807994 2.68952683 2.019683204 3.541007901 3.070472447 2.545829661 stearic 42.18677856 73.75089849 99.97631347 69.10448993 69.88673582 123.4670071 71.06779864 64.50083597 79.65759626 73.39770652 47.96785561 57.59391094 59.44529956 52.93651175 52.53285888 52.35940661 55.69813037 46.4383517 69.63416799 63.81317937 59.05998189 55.01572861 69.1644236 49.95938357 50.95744461 56.91926383 47.70827677 57.98566606 62.64468632 40.92383855 67.81578527 41.6243585 55.93256537 41.52593232 36.17337614 32.75870768 25.71824525 19.21862761 35.89574778 35.25473548 34.05855186 33.42082732 35.21837812 57.80108255 65.65951484 27.37003325 27.11414931 34.72148685 35.22770405 23.8828243 47.32835793 33.05561679 30.40276073 42.19670125 43.46050214 41.31381377 32.98343564 34.18278694 40.72768565 29.47962817 36.47286399 35.88078323 50.53273652 46.36151099 36.00047801 38.15224079 38.43755387 40.71787376 39.49566938 37.91133061 34.27355007 45.91790121 43.42623708 44.21539075 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name EPA linolenic DHA myristic palmitoleic arachidonic palmitelaidic linoleic palmitic oleic elaidic stearic METABOLITES_END #END