#METABOLOMICS WORKBENCH LuizLeiria83_20190626_123122 DATATRACK_ID:1750 STUDY_ID:ST001213 ANALYSIS_ID:AN002024 PROJECT_ID:PR000816 VERSION 1 CREATED_ON July 15, 2019, 3:21 pm #PROJECT PR:PROJECT_TITLE Role of 12-LOX in cold adaptation PR:PROJECT_SUMMARY We aimed to study the role of 12-LOX lipid products in the adaptive PR:PROJECT_SUMMARY thermogenesis in mice exposed to cold. PR:INSTITUTE Joslin Diabetes Center - Harvard medical School PR:LAST_NAME Leiria PR:FIRST_NAME Luiz PR:ADDRESS One Joslin Place, 02215, Boston, MA-USA PR:EMAIL luiz.leiria@joslin.harvard.edu PR:PHONE 617-309-1967 #STUDY ST:STUDY_TITLE Serum lipidomic profile of cold-exposed Ucp1cre/12-LOX KO mice ST:STUDY_SUMMARY We aimed to evaluate whether specific deletion of 12-Lipoxygenase (12-LOX) in ST:STUDY_SUMMARY brown fat can affect the serum concentrations of 12-LOX products under cold ST:STUDY_SUMMARY exposure. ST:INSTITUTE Joslin Diabetes Center - Harvard medical School ST:LAST_NAME Leiria ST:FIRST_NAME Luiz ST:ADDRESS One Joslin Place, 02215, Boston, MA-USA ST:EMAIL luiz.leiria@joslin.harvard.edu ST:PHONE 617-309-1967 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENDER Male #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 4621 02 Temperature:22C | Genotype:KO SUBJECT_SAMPLE_FACTORS - 4801 04 Temperature:5C | Genotype:WT SUBJECT_SAMPLE_FACTORS - 4801 01 Temperature:22C | Genotype:WT SUBJECT_SAMPLE_FACTORS - 4761 01 Temperature:5C | Genotype:KO SUBJECT_SAMPLE_FACTORS - 4801 03 Temperature:22C | Genotype:KO SUBJECT_SAMPLE_FACTORS - 4621 04 Temperature:5C | Genotype:KO SUBJECT_SAMPLE_FACTORS - 4671 02 Temperature:22C | Genotype:WT SUBJECT_SAMPLE_FACTORS - 4601 02 Temperature:5C | Genotype:WT SUBJECT_SAMPLE_FACTORS - 4661 01 Temperature:22C | Genotype:KO SUBJECT_SAMPLE_FACTORS - 4801 02 Temperature:22C | Genotype:WT SUBJECT_SAMPLE_FACTORS - 4661 02 Temperature:5C | Genotype:WT SUBJECT_SAMPLE_FACTORS - 4801 05 Temperature:5C | Genotype:KO SUBJECT_SAMPLE_FACTORS - 4621 01 Temperature:5C | Genotype:WT SUBJECT_SAMPLE_FACTORS - 4621 03 Temperature:22C | Genotype:WT SUBJECT_SAMPLE_FACTORS - 4601 03 Temperature:5C | Genotype:KO SUBJECT_SAMPLE_FACTORS - 4831 02 Temperature:22C | Genotype:KO SUBJECT_SAMPLE_FACTORS - 4761 02 Temperature:5C | Genotype:KO SUBJECT_SAMPLE_FACTORS - 4671 01 Temperature:22C | Genotype:KO SUBJECT_SAMPLE_FACTORS - 4601 04 Temperature:22C | Genotype:WT SUBJECT_SAMPLE_FACTORS - 4671 03 Temperature:5C | Genotype:WT SUBJECT_SAMPLE_FACTORS - 4831 01 Temperature:22C | Genotype:WT SUBJECT_SAMPLE_FACTORS - 4841 01 Temperature:5C | Genotype:WT SUBJECT_SAMPLE_FACTORS - 4841 02 Temperature:22C | Genotype:KO SUBJECT_SAMPLE_FACTORS - 4831 03 Temperature:5C | Genotype:KO #COLLECTION CO:COLLECTION_SUMMARY Mice were anaesthetised with Isoflurane (under controlled flow-rate), and placed CO:COLLECTION_SUMMARY in a hot pad, while the blood was drawn from the tail into a tube. The blood was CO:COLLECTION_SUMMARY left at 22C for 30 - 60 minutes, and then centrifuged at 14,000 RPM for 3 CO:COLLECTION_SUMMARY minutes. The serum fraction was collected and frost at -20C. CO:SAMPLE_TYPE Blood (serum) #TREATMENT TR:TREATMENT_SUMMARY Wild-type and Ucp1CRE/12-LOX KO mice were exposed to a short-term cold TR:TREATMENT_SUMMARY temperature (1 hour at 5C) or kept at room temperature. After this period, the TR:TREATMENT_SUMMARY serum was collected as described. Ucp1CRE/12-LOX KO mice were created through TR:TREATMENT_SUMMARY CRISPR-Cas9 technology, as described in Leiria et al., 2019, Cell Metabolism. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Aliquots of 100 µL serum or 1mg protein from homogenized tissue (measured by SP:SAMPLEPREP_SUMMARY BCA) were taken, depending on the experiment. A mixture of deuterium-labeled SP:SAMPLEPREP_SUMMARY internal standards was added to each aliquot, followed by 3x volume of sample of SP:SAMPLEPREP_SUMMARY cold methanol (MeOH). Samples were vortexed for 5 minutes and stored at 31 −20 SP:SAMPLEPREP_SUMMARY °C overnight. Cold samples were centrifuged at 14,000g for 10 minutes, and the SP:SAMPLEPREP_SUMMARY supernatant was then transferred to a new tube and 3 mL of acidified H 2 O (pH SP:SAMPLEPREP_SUMMARY 3.5) was added to each sample prior to C18 SPE. The methyl formate fractions SP:SAMPLEPREP_SUMMARY were collected, dried under nitrogen, and reconstituted in 50 µL MeOH:H 2 O SP:SAMPLEPREP_SUMMARY (1:1, by vol). Samples were transferred to 0.5 mL tubes and centrifuged at SP:SAMPLEPREP_SUMMARY 20,000g at 4 °C for 10 minutes. 35ul of supernatant was transferred to SP:SAMPLEPREP_SUMMARY LC–MS/MS vials for analysis using the BERG LCMS/MS mediator lipidomics SP:SAMPLEPREP_SUMMARY platform. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE UHPLC MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF CH:COLUMN_NAME Synergiâ„¢ Fusion-RP capillary C18 column (150 × 0.5 mm, 4 µm; Phenomenex Inc., Torrance, CA, USA) CH:COLUMN_NAME Inc., Torrance, CA, USA) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS MS spectra were acquired in high-resolution mode (>30,000) using a 100-ms MS:MS_COMMENTS accumulation time per spectrum. Fullscan MS/MS was acquired in high sensitivity MS:MS_COMMENTS mode, with an accumulation time optimized per cycle. Collision energy was set MS:MS_COMMENTS using rolling collision energy with a spread of 15V. The identity of a component MS:MS_COMMENTS was confirmed using PeakView® software (SCIEX), and quantification was MS:MS_COMMENTS performed using MultiQuant™ software (SCIEX). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples 4621 02 4801 04 4801 01 4761 01 4801 03 4621 04 4671 02 4601 02 4661 01 4801 02 4661 02 4801 05 4621 01 4621 03 4601 03 4831 02 4761 02 4671 01 4601 04 4671 03 4831 01 4841 01 4841 02 4831 03 Factors Temperature:22C | Genotype:KO Temperature:5C | Genotype:WT Temperature:22C | Genotype:WT Temperature:5C | Genotype:KO Temperature:22C | Genotype:KO Temperature:5C | Genotype:KO Temperature:22C | Genotype:WT Temperature:5C | Genotype:WT Temperature:22C | Genotype:KO Temperature:22C | Genotype:WT Temperature:5C | Genotype:WT Temperature:5C | Genotype:KO Temperature:5C | Genotype:WT Temperature:22C | Genotype:WT Temperature:5C | Genotype:KO Temperature:22C | Genotype:KO Temperature:5C | Genotype:KO Temperature:22C | Genotype:KO Temperature:22C | Genotype:WT Temperature:5C | Genotype:WT Temperature:22C | Genotype:WT Temperature:5C | Genotype:WT Temperature:22C | Genotype:KO Temperature:5C | Genotype:KO Tetranor-12-HETE 0.090139622 0.131079013 0.183992872 0.032853761 0.073846279 0.136413916 0.125372104 0.515710298 0.088156328 0.108937638 0.1073758 0.136083652 0.124530692 0.048455585 0.146324727 0.14027013 0.128312755 0.341889027 0.105371359 0.136745834 0.025870263 0.54071431 0.027198926 0.067554838 9-oxoODE 0.003860314 0 0.012827185 0 0.058794491 0.007127174 2.319222834 3.024946579 0 0 0.013588978 0.174769814 0.347322966 0.158897012 0 0.005814126 0.004181131 0.010254929 0 0.213627383 0 0.022662299 0 0.103797701 13-oxoODE 0.130337612 0.496560217 26.37331748 0.018134738 0.00967104 0.008648713 6.692151886 5.343068498 0.00566565 0.103183875 0.385762308 0.011564385 0.024341007 0.553267321 0.36467738 0.289374328 0.442018496 0.216449435 0.009143228 0.024816938 0.011079166 1.149599099 0.151679424 0.15912902 9-HOTrE 0.068717962 0.074933668 0.580897795 0.067376531 0.094010698 0.063043565 0.280317006 0.195724281 0.080957974 0.073246819 0.233566232 0.152239731 0.125986661 0.158541403 0.193748777 0.147219986 0.115611913 0.193825569 0.09946648 0.101507877 0.118777575 0.160851013 0.059057115 0.114706039 13-HOTrE/13-HOTrE(r) 0.069207 0.212744047 6.107143584 0.066754706 0.080708612 0.168345058 3.385721011 2.213034279 0.110480833 0.06267797 0.321879221 0.258013601 0.206764092 0.160346093 0.134517918 0.199845002 0.11130849 0.036198923 0.10964332 0.220617719 0.127608962 0.265358616 0.080681311 0.103826744 9-HODE 1.235230684 5.237482417 9.894483954 0.784464771 1.503180549 3.151771373 4.030636141 7.074966173 2.616264862 1.008099011 8.779158503 3.023723289 5.187129041 3.134221375 5.330546567 4.838930282 3.140928276 4.749453602 5.525573917 3.909670632 1.178943284 4.88345357 2.159930769 1.781943634 13-HODE 0.796450859 2.976125914 4.63357022 0.733655303 1.171131222 1.990481494 2.615053241 3.099471428 1.939565713 1.251591626 4.073336362 3.103602543 4.329758263 3.150342579 3.770303438 3.026516235 2.320895717 3.129298711 3.31749723 4.271157141 2.669221011 4.526329446 2.27901618 3.029337013 9(10)-EpOME 0 0 0 0 0.005210638 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12(13)-EpOME 4.431417372 3.815405705 15.63225125 2.5857028 5.503662036 8.531102598 8.580987629 14.45531063 8.097836174 3.529261185 17.73177896 8.157090832 11.57816221 9.119549195 11.23627534 10.68293344 7.438944965 11.5460683 9.435521245 4.978857707 4.418377087 12.85307429 5.393673704 5.330967139 9,10-diHOME 2.121859962 7.476057874 3.528859623 2.639418507 3.101814346 7.628568194 3.839074303 8.593290808 4.727244003 2.076027052 18.41803978 4.549194993 11.46744106 6.690177417 11.64604692 6.523910313 5.1442431 8.462890431 8.083932997 8.368230735 3.366173412 7.885364478 5.484830777 4.123771042 12,13-diHOME 3.434648687 12.06418641 5.888689036 3.738023193 6.720785537 13.14463203 5.563911643 16.52129114 6.511665618 3.601051123 34.36386811 7.326605341 17.98054937 10.59348212 16.75823519 11.69374566 7.511088704 10.09871312 13.32662895 12.761308 5.221305992 14.56497611 10.23714376 7.191848173 15-deoxy-delta12,14-PGJ2 0 0.004086173 0 0.011982385 0.026469476 0.010877127 0.002892028 0.020389341 0.016289844 0.011053888 0.02470978 0.005756611 0.007323379 0.00350474 0.020534657 0.003310264 0.021981685 0.01514232 0.014727296 0.015241156 0.013636829 0.002330018 0.014937832 0.004095962 15-oxoETE 0.044119487 0.10662244 4.085976931 0.032311586 0.038885885 0.033826359 1.582355695 1.494129235 0.024260664 0.026982439 0.187022176 0.140261638 0.152215165 0.041104137 0.093946256 0.055189322 0.119537023 0.073601223 0.098056373 0.071232998 0.035688847 0.320300139 0.003593682 0.009765199 18-HEPE 0.01405008 0.037146666 0.169527978 0.002845985 0.029969326 0.067667268 0.061111729 0.087501617 0.043275508 0.023686285 0.064525776 0.028045645 0.044374523 0.026843454 0.04390356 0.050967719 0.015001317 0.039118261 0.032082251 0.044302039 0.008914992 0.05522099 0.037615418 0.023787453 15-HEPE 0.04930822 0.056354745 0.086480422 0.024549244 0.05355895 0.034596707 0.031671624 0.064206277 0.060808474 0.038518273 0.094727371 0.085605319 0.009819022 0.038509241 0.063381821 0.084912841 0.046244746 0.071232543 0.030687684 0.042751184 0.025000875 0.063014373 0.044051365 0.015699976 12-HEPE 13.19979573 8.847089087 8.669446179 4.484859175 6.667878829 4.677007866 5.764384077 14.78634687 5.447716924 5.004656102 13.94471712 7.643000397 6.211313285 3.09498566 11.90487414 10.40632577 11.86962861 12.24973538 9.223142612 10.60920246 5.270423927 20.42965036 1.266057673 3.935770571 5-HEPE 0.101979546 0.084872427 0.213416752 0.10138412 0.093959562 0.099679838 0.099890758 0.293585496 0.160434164 0.085733238 0.222522773 0.103189965 0.121186845 0.098488206 0.153932075 0.150998991 0.113650401 0.13107004 0.150049476 0.152014834 0.103234304 0.226279997 0.090837067 0.060255669 11-HEPE 0.162828775 0.122553817 0.205422485 0.05260191 0.072753795 0.091384052 0.155724108 0.258336759 0.07728572 0.05391373 0.265700941 0.075245525 0.108743797 0.050560211 0.19201243 0.136910757 0.1074841 0.103437808 0.097567272 0.128209239 0.064799859 0.337265318 0.057880131 0.037903372 8-HEPE 0.032485521 0.100604057 0.043632929 0.026766796 0.075907222 0.100630567 0.091831702 0.120656807 0.0724892 0.033791059 0.150647527 0.079276839 0.102412959 0.057644732 0.116273197 0.117255688 0.102742865 0.131936967 0.0969334 0.106980273 0.046065455 0.218018225 0.080359214 0.05669486 9-HEPE 1.205598213 0.578382722 0.65250909 0.293331394 0.496203867 0.388607993 0.410609372 1.196166461 0.392185008 0.42888164 1.293078251 0.646276069 0.458043213 0.31874897 0.757276052 0.97111409 0.951746163 0.949439489 0.642370037 0.77700485 0.427924272 1.639976727 0.116527751 0.272002621 12-oxoETE 0 0.086261261 0.558781113 0 0 0.093398925 0.206810495 0.464032178 0.126293772 0.058637556 0.320680835 0.10906432 0.057588267 0.076757458 0.126754172 0.204561243 0.073575737 0.246013643 0.24251787 0 0.104122496 0.545575348 0.009309664 0.080903213 14(15)-EpETE 0.008038166 0.029135645 0.056629482 0.018780129 0.022182169 0.009194497 0.032639304 0.089988593 0.011221083 0.007997269 0.06938977 0.061099801 0.013398545 0.035672297 0.047676305 0.020380038 0.030893734 0.01175175 0.034063257 0.035430437 0.023124104 0.138015841 0.008860508 0.011577556 17(18)-EpETE 0.009064753 0 0.05619532 0.015378453 0.071152156 0.017646136 0.044770782 0.030479842 0.022526286 0.012750448 0.01220491 0.028453148 0.009730634 0.015228361 0.047138844 0.014952768 0.032536684 0.029968309 0.045608891 0.031565531 0.024059496 0.025848798 0.007547788 0.03214985 5-oxoETE 0.011801399 0.037659415 0.452830407 0.006952561 0.014185101 0.001489755 0.294575172 0.17843715 0.006017761 0.009578655 0.021171184 0.036542974 0.047381109 0.004227771 0.028710287 0.023543645 0.01616838 0 0.010716137 0.008991837 0.010713484 0.032367129 0.003215004 0.010131637 14(15)-EET 0.050200634 0.054242891 0.031875647 0.042226233 0.027300406 0.009911078 0.065473525 0.089665968 0.014363731 0.026738937 0.066198808 0.080636173 0.095184554 0.046927774 0.059331474 0.084626936 0.124253228 0.064398692 0.072233783 0.099563428 0.054730276 0.124455748 0.015060353 0.078641072 11(12)-EET 0.005808948 0.026478168 0.05475915 0.004880197 0 0.004955542 0.007305796 0.046977071 0.006021516 0 0.048058555 0.006163798 0.015304731 0.003216326 0.029225406 0.006749918 0.035105338 0.023565915 0.009017117 0.015128019 0.010389831 0.028377219 0.003585442 0 8(9)-EET 0 0 0 0 0 0 0 0 0 0 0 0.004885935 0 0 0 0 0.005548468 0 0.00648032 0.003540702 0 0 0 0 5(6)-EET 0 0.006365838 0.008805186 0.000630526 0.007092432 0 0 0.008703263 0 0.004182277 0.021638708 0.005777961 0.012734234 0 0.004141376 0 0.007585146 0.003579864 0 0.00143336 0 0 0 0.005941648 15-HETE 0.342578228 0.691349422 0.805475685 0.085549512 0.174235797 0.073641185 0.259065107 0.991654464 0.122466965 0.143265249 1.890290394 0.374700995 0.574667216 0.154133609 0.874834514 0.557284704 1.062967376 0.706134838 0.562258106 0.299031738 0.078653513 0.738243461 0.074325005 0.068130009 12-HETE 84.20873392 101.4382085 105.3688443 30.28849837 32.57226091 28.73470664 40.04931247 135.0921678 33.73394627 24.78687276 145.4971388 77.2340369 77.19153111 32.9123331 104.3278417 96.3597341 100.859282 120.1890356 80.40759748 60.83746191 30.11460812 199.5537607 15.86190355 29.24610639 5-HETE 0.082068095 0.282270447 0.699624907 0.21088795 0.186154651 0.142186509 0.295270045 0.414993961 0.209569987 0.110164585 0.41504759 0.131668456 0.293273963 0.086075771 0.264713065 0.190986292 0.209792155 0.201212301 0.168987669 0.311592371 0.251249071 0.224523639 0.075827016 0.084719213 20-HETE 0 0.021176589 0.007030988 0.006991291 0.024740775 0.008358902 0 0.023705508 0 0.001854422 0.055547045 0.004529258 0.006077551 0 0.010392331 0.002534567 0.019991694 0.010775823 0.023599632 0.016633893 0 0.028395566 0.005958915 0.006103286 11-HETE 2.347410413 4.095750339 5.277061157 0.512753261 0.573002778 0.441256962 0.86745063 6.569289404 0.482032209 0.280394615 6.278778863 2.144760152 2.820361597 0.677153712 5.172778778 3.318817531 5.216402566 3.357485393 2.765030546 1.633481358 0.412134206 4.036328492 0.20349698 0.340208908 16-HETE 0.007126936 0.006091 0 0 0.018820577 0.013935105 0.0071624 0.007503523 0.006459275 0.006042367 0 0 0.019562285 0.017173302 0.010387141 0.003994046 0 0.009065006 0 0.010685427 0.001405297 0.018801372 0.0112041 0 17-HETE 0.011908392 0.015657929 0.023062392 0.054538658 0.024428982 0.023516513 0.038235319 0.02863796 0.046884715 0.060398636 0.186772789 0.056612115 0.010226096 0.02827232 0.034605035 0.025983571 0.073484135 0.014033679 0.025101907 0.068657765 0.033806769 0.103510231 0.007973104 0.027482468 18-HETE 0.032749645 0.051012919 0.027887018 0.071776701 0.04938327 0.025069944 0.084673063 0.112973618 0.012565417 0.040374776 0.185861587 0.060294309 0.040324302 0.048010603 0.077009484 0.033914885 0.0655341 0.096258082 0.073190832 0.080368625 0.024446662 0.106387418 0.040737187 0.021366998 9-HETE 2.899296597 3.336055196 3.822118635 1.035374421 1.021882279 1.00155575 1.336698927 5.199745249 1.216857532 0.939892086 5.157024965 2.80435967 2.433746984 1.152182241 3.361807797 3.386079552 3.565627385 3.923135532 2.815332846 2.169236355 0.914759401 6.27535922 0.513126212 1.116438858 8-HETE 0.265188306 0.501625963 0.361610263 0.121412524 0.134305667 0.078158981 0.201050449 0.400864025 0.157588589 0.128640027 0.513028999 0.243312748 0.304397182 0.166436294 0.311019427 0.333283203 0.30445704 0.412737104 0.188596938 0.185053105 0.138742943 0.457106552 0.064984501 0.143270571 5-HETrE 0.081812456 0.104113605 0.03448021 0.02926229 0 0.031265688 0.045155842 0.12847879 0.046001169 0.014619283 0.100126712 0.040229142 0.060831378 0.015369623 0.138542225 0.056407899 0.178209104 0.091539618 0.046767036 0.061743467 0.022605361 0.156203247 0.023467737 0.031727353 8-HETrE 0.087534471 0.183784641 0.062104564 0.063268143 0.168570058 0.004955123 0.04119349 0.053493942 0.043925105 0.034721792 0.094683189 0.076069454 0.082656902 0.064519124 0.066063493 0.162673145 0.041093337 0.12934819 0.086711561 0.083260112 0.024805876 0.057178494 0.012189543 0.033170073 15-HETrE 3.244627709 2.936081453 2.250647325 3.488181033 5.25611562 3.517488963 6.990477869 4.738152015 4.201395354 4.165331907 6.332848704 3.888755542 2.507027519 3.294491159 3.249353848 3.502872817 4.370014352 3.299392687 3.833033568 3.013432023 2.718922977 9.979113932 2.402580739 1.988470193 2,3-dinor-11beta-PGF2a 0 0 0 0 0 0 0 0 0.003331127 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 tetranor-PGFM 0 0 0 0.00183469 0 0 0 0 0 0 0.005702882 0 0 0 0.005423244 0 0 0 0 0 0 0 0 0 12-oxoLTB4 0.030280925 0 0.071605217 0.007727201 0.0075269 0 0.083427687 0.210995103 0.022929281 0.017526048 0.015857203 0.025979922 0.003681144 0 0.015879632 0.019732217 0.014715433 0.033027405 0 0.006280643 0 0.014400259 0.021240625 0 PGA2/PGJ2 0.006452207 0.02285642 0.016449236 0.000410692 0 0 0.003061769 0.025799115 0.00648594 0 0.005698478 0.018187148 0 0.003503088 0.012545456 0.003310263 0.013670688 0.004989065 0.014536994 0.003526875 0.004885044 0.018378556 0.002538322 0.010846774 PGB2 0.003080914 0.009552491 0.015816532 0.002815689 0 0 0.007553678 0.00849784 0 0.002695423 0.022821845 0.003518538 0 0 0.007061196 0.006388809 0 0.000509241 0.01536622 0 0.005869587 0.040301205 0 0.010024353 15-deoxy-delta12,14-PGD2 0.003109006 0.005261147 0.009648749 0.003415586 0 0.002698008 0.013991674 0.012533068 0.006080144 0.00281441 0.015451762 0.005509259 0 0.018940998 0 0.002251011 0 0.003120119 0.005118896 0 0.004885932 0 0.002985593 0.000827406 13,14-dihydro-15-keto PGA2 0.00460184 0.026022809 0.020944022 0.012275225 0.030022748 0.018208706 0.031839895 0.030302495 0.019630524 0.018419749 0.03135137 0.030504686 0.021104934 0.014022756 0.026829378 0.012510099 0.022241892 0.014976789 0.011283061 0.020622221 0.023765468 0.043101947 0.088356289 0.023057405 Bicyclo PGE2 0.024156323 0.009361053 0.005252665 0 0.010649085 0 0.006195611 0.02964474 0.008397714 0.002696035 0.01383362 0.005509308 0.011037553 0 0.008527594 0.011571001 0.002423709 0 0.016182164 0.010403756 0 0.006358658 0.005073769 0.004096303 delta12-PGJ2 0.006252827 0.030714993 0.025419685 0 0 0.002185961 0.001443462 0.023283577 0.003457143 0 0.053346088 0.015001588 0.019520169 0.01294222 0.011990391 0.01131312 0.024953327 0.008190257 0.015366557 0.015037672 0.005869022 0.007391356 0.002357164 0.00981378 LTB4 0.075476595 0.072922919 0.502742872 0.039773682 0.012574199 0.017606435 0.070547881 0.220082611 0.015271614 0.027932318 0.475676793 0.100171803 0.258484467 0.03656669 0.124594632 0.150101784 0.300686722 0.170129409 0.03832644 0.012639226 0.01001616 0.147333454 0.045601304 0.035625326 5,6-diHETE 0 0.016775952 0.024755599 0.00910707 0.006265663 0 0 0.014618947 0.008746804 0.013639092 0.027562635 0.059529206 0.122561562 0 0 0.024898122 0.016506205 0.008091233 0.037679867 0.027173495 0.011956006 0.021973928 0.011417385 0.014141949 5,15-diHETE 0 0 0 0 0 0 0.008660101 0 0.005437313 0 0.012846825 0 0 0 0.002609353 0 0 0 0 0 0 0 0.01346715 0 Hepoxilin A3 0.37262695 0.26167664 0.823119616 0.012047854 0.101857393 0.126631659 0.338559911 0.542117913 0.16522866 0.163714569 0.118227937 0.323161676 0.233217528 0.043265054 0.178475366 0.07118767 0.093536502 0.098775899 0.094700218 0.192401655 0.313324491 0.209425895 0.035484718 0.253044827 14,15-diHETE 0.015435472 0.023103468 0.085867851 0.003938226 0.013461089 0.011549653 0.053846223 0.011783316 0.008946766 0 0.041624492 0.025977544 0 0.012595918 0.00627235 0.012463815 0.012988634 0.033027913 0.017481279 0.007929191 0.008296524 0.0310264 0.029315808 0 17,18-diHETE 0.203676272 0.507890312 0.569945252 0.209687916 0.400358557 0.336512696 0.619526762 0.408328985 0.149961333 0.255278035 1.359303268 0.404597859 0.544811785 0.488632463 0.36054963 0.491756839 0.389017606 0.29711042 0.688311285 0.698515925 0.308436926 0.691301512 0.792520676 0.486567842 PGA1 0.011487021 0 0.005257209 0.003407811 0.008579509 0 0.00218463 0.004884384 0.003998018 0.002693217 0 0 0.003661844 0 0.021945833 0.005416683 0.006289005 0.003120171 0.00408255 0 0 0 0.005065069 0 5,6-diHETrE 0.135264334 0.071133654 0.035414645 0.03925948 0.080821914 0.084791612 0.072084306 0.109727955 0.013643756 0.018009897 0.182471913 0.028435428 0.085458128 0.132662101 0.111360632 0.08346514 0.101644304 0.125950709 0.159640533 0.107201208 0.055539182 0.030951405 0.034706788 0.107010959 8,9-diHETrE 0.003994082 0.042844188 0.201982051 0.029896436 0.054481137 0.077926446 0.083863023 0.079914878 0.058960419 0.012184224 0.16422267 0.131744925 0.148954064 0.067645824 0.111774939 0.128689663 0.028797428 0.030133289 0.075855192 0.100196362 0.057439231 0.058626065 0.024061011 0.059186484 11,12-diHETrE 0.023251307 0.064368118 0.118568682 0.022256481 0.075874057 0.061540672 0.073270686 0.261417171 0.106254231 0.074906281 0.216191902 0.091036819 0.162880038 0.051677288 0.059610307 0.104080863 0.16023408 0.150778072 0.114361068 0.191263422 0.041750356 0.055980658 0.106056975 0.098776702 14,15-diHETrE 0.200591337 0.159185124 0.262358033 0.14242168 0.245705142 0.202979698 0.282231837 0.367978313 0.154336046 0.135204 0.64913002 0.317959908 0.278118875 0.31855405 0.386552117 0.245485707 0.271255392 0.446483581 0.236642717 0.273172816 0.278041429 0.416722233 0.282650801 0.292774189 2,3-dinor TxB2 0 0.002883191 0.002450612 0.001496358 0.003132623 0 0 0 0.005072604 0 0.008130825 0.005509301 0.005089579 0 0 0 0.003866808 0 0 0 0 0 0 0 17-HDHA 0.01353482 0 0.016937508 0 0.022535872 0.032422944 0.013301827 0.00593559 0 0.002614388 0.018679636 0 0 0.008549615 0.007808863 0 0.07756271 0.043036167 0.036288838 0.000707784 0 0.03610668 0.005959595 0 14-HDHA 1.388233029 1.840780768 1.909133427 1.110760513 1.982873821 1.284957507 1.521403711 2.938898233 1.639816069 1.741519438 3.759005289 1.909994288 0.605500601 1.130884373 2.3335939 3.456426902 2.430009843 3.734236502 2.258481719 2.837373513 1.843667302 4.158755564 0.647203832 1.795170077 7-HDHA 0.005809742 0.01856251 0.169416378 0.010220386 0.013486345 0.036547771 0.032357634 0.070607942 0.028647066 0.007272377 0.068882169 0.016638804 0.047261111 0.029540823 0.022879065 0.04819442 0.068601349 0.03164671 0.04327728 0.034672888 0.007453285 0.043992016 0.009738038 0.014446116 4-HDHA 0.182287951 0.274192848 1.273090646 0.060832904 0.080430439 0.028591507 0.451243615 0.692088854 0.08466976 0.099977926 0.245976039 0.154151755 0.265495703 0.090545336 0.241876876 0.238834151 0.252285858 0.202146462 0.362676274 0.203798844 0.149056622 0.26116529 0.077181022 0.184237709 8-HDHA 0.322646844 0.303151204 0.457724794 0.146610879 0.203044272 0.175782015 0.308908713 0.383573413 0.156217152 0.21505202 0.723055902 0.263473179 0.201028555 0.145342453 0.366636518 0.337737324 0.340370332 0.508925453 0.315928641 0.34433939 0.126395372 0.571581932 0.069645096 0.194292522 10-HDHA 0.942690723 0.652764986 0.902880785 0.486666319 0.753821181 0.550047115 0.516630161 1.023420726 0.636344165 0.280535398 1.307710153 0.673770007 0.606735078 0.497321021 0.876743484 1.030102992 0.863571158 1.12737101 0.762633742 0.729072531 0.550769798 1.328898476 0.173538448 0.497600393 11-HDHA 0.291777473 0.204797052 0.328317545 0.095897677 0.249682211 0.157392115 0.177351997 0.41508299 0.209408298 0.161833782 0.30857013 0.198396594 0.184656607 0.169992979 0.181944141 0.329999895 0.243811511 0.406594643 0.232644328 0.264635958 0.251082456 0.510070014 0.047761584 0.147541018 13-HDHA 0.163142985 0.17160425 0.267851408 0.059559359 0.076612123 0.09158198 0.139044474 0.262014282 0.095858749 0.062651048 0.365627548 0.108749944 0.115826636 0.084164817 0.213925641 0.202363061 0.158554558 0.129891869 0.160448046 0.134532712 0.104911678 0.175405797 0.054348473 0.066037409 16-HDHA 0.128336033 0.124703654 0.240599049 0.025751268 0.058325402 0.09392687 0.16583051 0.218157459 0.03027314 0.023665663 0.263684138 0.15631854 0.167744179 0.124291911 0.175229863 0.183938618 0.173955496 0.196446952 0.096933353 0.092774884 0.076866819 0.235447676 0.050757077 0.044722103 20-HDHA 0.079538854 0.04273692 0.257256076 0.029800696 0.028582203 0.040529703 0.141346538 0.189041792 0.057210592 0.046783134 0.204209649 0.08011024 0.062868915 0.07538322 0.091209733 0.120617711 0.063842958 0.068996689 0.095348601 0.100700862 0.043974043 0.158547346 0.028327 0.029478261 19(20)-EpDPE 0.071543666 0.155446403 0.205030735 0.090549672 0.06453872 0.090077957 0.156505816 0.028434359 0.086498912 0.005468791 0.274263577 0.138341059 0.166114485 0.107414321 0.225259219 0.06558958 0.050928196 0.189757384 0.242962677 0.22082369 0.224031908 0.144644741 0.040873346 0.133198357 16(17)-EpDPE 0.08171758 0.045860512 0.103234843 0.081875812 0.042619107 0.039363642 0.048522128 0.137160618 0.047634927 0.010136559 0.269534038 0.123883651 0.081316538 0.02671203 0.085152268 0.129950968 0.142693029 0.089555971 0.150942891 0.169686523 0.13529183 0.157760766 0.063551776 0.100798737 PGD3/PGE3 0 0 0.005261281 0.002475054 0 0.006068061 0 0.006958304 0 0.001638731 0 0 0.002488987 0 0.00328526 0 0.011961926 0 0.011284 0.006082285 0 0.004755256 0.003065947 0 15-keto-PGE2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PGK2 0 0 0.002028889 0 0 0 0 0.005559566 0 0 0 0.005509308 0.003661783 0 0 0 0 0.009113352 0 0 0 0.00410567 0.000669654 0 13,14-dihydro-15-keto PGE2 0.039334735 0.017780922 0.093920942 0.024220481 0.039752714 0.015205868 0.072819462 0.091605184 0.049853904 0.07841975 0.134931851 0.053352484 0.048418819 0.003485607 0.064093888 0.013506039 0.037996162 0.040318783 0.06249648 0.058548589 0.014744788 0.0584325 0.043829767 0.015865966 13,14-dihydro-15-keto PGD2 0.01933105 0.051463328 0.035054493 0.006385843 0.018592047 0.009583613 0.018626717 0.051181286 0.022281399 0.033778826 0.046770563 0.025073551 0.027304072 0.005447546 0.060709665 0.023741086 0.021317454 0.050588585 0.011358331 0.062947825 0.011732302 0.040477407 0.027564741 0.007803375 15-keto-PGF2a 0.002605366 0.008277589 0.010019592 0.002215754 0 0 0.002892269 0.018484466 0.003331455 0.002695651 0.095721979 0 0.00585852 0.009654006 0.003775601 0.005416592 0.005013618 0 0.015071414 0.007766239 0.005869022 0 0.003065947 0.010576002 PGE2/PGD2 0.317672806 0.700743369 0.717672793 0.003408818 0.194886081 0.123683366 0.094762758 0.377454289 0 0.031931487 0.027416201 0.09646755 0.484360904 0.047203774 0.273275422 0.151720117 0.496267556 0.036129287 0.292939394 0.210943087 0.039971181 0.304682949 0.045707088 0.052267471 PGD2 0 0 0.017086968 0.003415588 0.003132671 0.011632082 0.000821008 0.007221083 0.00900901 0.015572245 0.005702886 0.086767205 0.012031028 0.006758605 0.006523188 0.039587683 0 0.003067872 0.007568025 0.03097672 0.009781075 0.285049501 0.04604386 0.004086207 LXA4 0.002605323 0 0.021242192 0.002475054 0.004664029 0.007098234 0.002594195 0.002364633 0.005072182 0.006560166 0.012914906 0.0055083 0.026605879 0.003501207 0.004188816 0.010259969 0 0.010686639 0.011285081 0.001430722 0 0.018239211 0 0 LXB4 0 0.005273706 0.020286449 0 0 0 0.013160429 0.005559559 0.010456829 0 0.003340729 0 0.010881196 0.003864935 0.003407944 0 0.006775504 0 0.018490583 0.00312823 0.003875254 0.017673836 0.003066155 0 PGF2a 0.053518013 0.129001287 0.123575575 0.015429727 0.016653259 0.013356076 0.024633369 0.200012252 0.008981328 0.009171112 0.322985408 0.081314935 0.074340829 0.01050425 0.077009137 0.062477827 0.174073473 0.044270357 0.034698424 0.058607136 0.002840759 0.1045937 0.004973947 0.01071968 8-iso PGF2a 0.048913007 0.139955527 0.017000666 0.013717724 0.011872376 0.010308823 0.015312633 0.184538693 0.006351813 0.004979746 0.20387859 0.017285531 0.044161442 0.003759465 0.070019783 0.040216871 0.089286871 0.059050016 0.035403085 0.052952991 0.007350134 0.065956969 0.008545355 0.011902528 5-iPF2a-VI 0.002812071 0.018720999 0.024172837 0.004950434 0.006273555 0.004529196 0.008771405 0.010444275 0.003331733 0.00593103 0.009139886 0.021187533 0.011198097 0.007005544 0.008584816 0.010389642 0.001059014 0.013749316 0.019446233 0.002049588 0.00586951 0.014728178 0.01440625 0.001559062 PGE1/PGD1 0.050337815 0.100611995 0.03057118 0.001255372 0.002725499 0.015383431 0.017956468 0.04859273 0.020193827 0.010362529 0 0.028662121 0 0.010306617 0.030269595 0.003179332 0.043443052 0.018347052 0.02684931 0.052084365 0.005869518 0.019870881 0.008530205 0.008191383 11-beta-PGF2a/PGF2b 0.042747387 0.139019351 0.068382033 0.012799757 0.013521179 0.008125126 0.018139199 0.178882238 0.007912296 0.003984361 0.204593924 0.017237482 0.048194858 0.005062777 0.108851574 0.039664324 0.167748483 0.064849985 0.039023697 0.049188893 0.009594562 0.065827781 0.008522857 0.013162534 13,14-dihydro-15-keto PGF2a 0.036015339 0 0.087164321 0.00589837 0.013781037 0.011365834 0.019029876 0.06155757 0.009836346 0.03146379 0.105514772 0.005063031 0.015837971 0.011339178 0.052563417 0.008664096 0.067681013 0.01000643 0.03297517 0.015650565 0.017595258 0.068040184 0.003065947 0.005061066 Maresin1 0 0 0.008413154 0 0.007121231 0.002976747 0.002892224 0.005617928 0.003155273 0 0 0 0 0.000504583 0 0 0.004071268 0.011347608 0 0 0 0 0 0 PD1 0.048603534 0.033000235 0.041544808 0.01163397 0.019885967 0.026601789 0.011620309 0.067784728 0.028727523 0.02990578 0.019533596 0.013357384 0.04154188 0.027517658 0.038295312 0.044891479 0.022223933 0.041977276 0.083739478 0.037045977 0.02287452 0.063861651 0.011596479 0.02863571 19,20-diHDPA 0.044102635 0.092428144 0.347134941 0.031379603 1.17429506 0.061154809 0.374628777 0.060569325 0.230053909 0.325163421 1.281258236 0.027372775 0.045635449 0.524556413 0.015874048 0.424304438 0.835490925 1.260859361 0.961756851 0.746760088 0.030403833 0.960731399 0.052464495 0.055817973 20-carboxy LTB4 0.013445239 0 0 0 0 0 0.006214087 0 0.00543686 0 0.017907465 0 0 0 0 0.011789711 0.011807948 0 0.017479556 0 0.008295144 0.009715972 0.010620254 0.022975334 TxB3 0.009571475 0.00935579 0.005069394 0 0.007120638 0.00307753 0 0.008999522 0 0.002695399 0 0.003919231 0.003557514 0.002815163 0 0.000846302 0.003761851 0 0.003313272 0 0.00242106 0.018833067 0.008058779 0.008191861 11-dehydro TxB2 0 0.005273187 0.004288723 0.000776311 0.00313241 0.007098241 0 0.006671368 0 0.00269653 0.003903642 0 0 0 0 0.005416676 0.007151398 0.005138403 0 0.002611432 0 0 0.005820173 0 19/20-OH PGE2 0 0 0 0 0 0 0 0 0 0 0 0 0.003557514 0 0 0 0 0 0 0 0 0 0 0 6-keto PGE1 0.002604889 0.007643544 0 0 0.007120423 0.005626778 0 0.012998154 0 0.008715594 0.002655553 0.005521793 0.002566163 0.014022818 0 0.000793857 0.004893376 0.011124002 0 0.003529651 0 0.004104903 0.001656123 0 TxB2 15.56612168 41.15041703 36.26464592 1.968672985 2.71416746 2.041740525 6.526269475 37.85038474 2.115537518 2.17533603 62.98675117 16.39856725 30.92627505 3.03100689 35.52166873 17.19828542 51.85557288 25.71285766 26.86353152 13.08924056 1.439392413 29.23108282 1.240858091 3.155025578 6-keto-PGF1a 0.109512017 0.42977743 0.336710814 0.003410023 0.003132647 0.013332634 0.044697147 0.37860365 0.042543302 0.003235775 0.538421343 0.186263686 0.123639035 0.030670092 0.205369216 0.152054884 0.680829239 0.170421174 0.155824476 0.122950836 0.024551454 0.160043779 0.02643648 0.061944328 19/20-OH PGF2a 0 0.004086643 0.004345773 0 0.003132623 0 0.007556138 0.002888243 0.01191436 0.00269653 0 0 0.002988198 0 0 0 0.002423873 0 0 0 0 0.004027786 0.002497573 0.002726042 6,15-diketo-13,14-dihydro PGF1a 0.005210509 0 0.006683243 0.00247526 0 0 0.002892224 0 0 0.003613953 0.005689393 0 0.001178983 0.003442573 0 0.003310263 0.002423709 0.006239874 0.008981265 0.000479028 0 0.005221363 0 0 RvD1 0.012568916 0.005273187 0.056460581 0.00183995 0.008439061 0.00709706 0.083923671 0.065553263 0.003998084 0.002693762 0.013831736 0.006988846 0.010772061 0.003503035 0.010178754 0.006786245 0.001647761 0.010467442 0 0.013717659 0 0.004104611 0.00367944 0.004915564 RvD2 0.008173161 0.019176375 0.014881492 0.014594411 0.163783948 0.01708436 0.19453153 0.03247606 0.011115214 0.059675013 0 0.0061091 0.010519439 0.005687737 0.013615599 0 0 0.006066859 0.003538251 0.004885046 0.014721033 0.00239784 0.006123566 0.012774017 LTE4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.003342011 0 0 LTD4 0 0.006903494 0.002475222 0.007119936 0 0.010447033 0.004409938 0.001909645 0 0 0 0.006689648 0 0.005224451 0 0.003393062 0 0.01435944 0 0 0 0 0.004096275 0 LTC4 0 0 0 0 0 0 0 0 0 0 0 0.003173272 0 0 0 0 0 0 0 0.001985748 0 0.001321748 0 0 d4-9-HODE 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 d8-5S-HETE 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 d4-LTB4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 d4-PGE2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PGF1a 0.08520835 0.041103403 0.078687327 0.121150868 0.07926377 0.063432724 0.079690506 0.054230812 0.029772288 0.027429451 0.058643153 0.065356336 0.086865391 0.08457756 0.082685098 0.045173501 0.030268024 0.085198598 0.030194421 0.107545879 0.090730832 0.022264693 0.144933752 0.055485214 13,14-dihydro PGE1 0 0.00216283 0.000688214 0 0.013381439 0.00466275 0.011521697 0.003331453 0 0 0 0 0 0.005422342 0 0.004638927 0.044018475 0.004079674 0 0 0.01883139 0.00367889 0.009194879 0.007256966 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem ID Tetranor-12-HETE 15730832 9-oxoODE 9839084 13-oxoODE 5283012 9-HOTrE 6439873 13-HOTrE/13-HOTrE(r) 16061072 9-HODE 5282944 13-HODE 5282947 9(10)-EpOME 12097313 12(13)-EpOME 5356421 9,10-diHOME 9966640 12,13-diHOME 10236635 15-deoxy-delta12,14-PGJ2 5311211 15-oxoETE 5280701 18-HEPE 16061132 15-HEPE 16061131 12-HEPE 10041593 5-HEPE 6439678 11-HEPE 16061130 8-HEPE 16061128 9-HEPE 16061129 12-oxoETE 5283162 14(15)-EpETE 16061088 17(18)-EpETE 16061089 5-oxoETE 5283159 14(15)-EET 5283205 11(12)-EET 40490664 8(9)-EET 6440706 5(6)-EET 5283202 15-HETE 9966861 12-HETE 13786989 5-HETE 5280733 20-HETE 5283157 11-HETE 14123410 16-HETE 6442739 17-HETE 6442740 18-HETE 6442778 9-HETE 14123398 8-HETE 11976122 5-HETrE 16759351 8-HETrE 71306337 15-HETrE 44322431 2,3-dinor-11beta-PGF2a tetranor-PGFM 3246853 12-oxoLTB4 PGA2/PGJ2 5280880 PGB2 5280881 15-deoxy-delta12,14-PGD2 5283052 13,14-dihydro-15-keto PGA2 5283042 Bicyclo PGE2 5283043 delta12-PGJ2 5280885 LTB4 5280492 5,6-diHETE 14429105 5,15-diHETE 5283158 Hepoxilin A3 5283211 14,15-diHETE 16061119 17,18-diHETE 16061120 PGA1 5281912 5,6-diHETrE 5283142 8,9-diHETrE 5283144 11,12-diHETrE 5283146 14,15-diHETrE 5283147 2,3-dinor TxB2 6438342 17-HDHA 132282537 14-HDHA 52921998 7-HDHA 132472337 4-HDHA 8-HDHA 10-HDHA 11-HDHA 13-HDHA 102571766 16-HDHA 20-HDHA 19(20)-EpDPE 11631565 16(17)-EpDPE 14392758 PGD3/PGE3 5282260 15-keto-PGE2 5280719 PGK2 5283037 13,14-dihydro-15-keto PGE2 5280711 13,14-dihydro-15-keto PGD2 5283036 15-keto-PGF2a 5280887 PGE2/PGD2 5280360 PGD2 448457 LXA4 5280914 LXB4 5280915 PGF2a 5280363 8-iso PGF2a 5282263 5-iPF2a-VI PGE1/PGD1 5280723 11-beta-PGF2a/PGF2b 5280506 13,14-dihydro-15-keto PGF2a 5283039 Maresin1 60201795 PD1 71508666 19,20-diHDPA 16061148 20-carboxy LTB4 5280877 TxB3 5283140 11-dehydro TxB2 1409 19/20-OH PGE2 6-keto PGE1 5280889 TxB2 5283137 6-keto-PGF1a 5280888 19/20-OH PGF2a 6,15-diketo-13,14-dihydro PGF1a 5283033 RvD1 44251266 RvD2 11383310 LTE4 5280879 LTD4 5280878 LTC4 5280493 d4-9-HODE d8-5S-HETE 5283153 d4-LTB4 16061113 d4-PGE2 5283031 PGF1a 6473774 13,14-dihydro PGE1 161273 METABOLITES_END #END