#METABOLOMICS WORKBENCH jpsaenz_20240530_024234 DATATRACK_ID:4881 STUDY_ID:ST003251 ANALYSIS_ID:AN005325 PROJECT_ID:PR002018 VERSION 1 CREATED_ON June 11, 2024, 9:26 am #PROJECT PR:PROJECT_TITLE Temperature change elicits lipidome adaptation in the simple organisms PR:PROJECT_TITLE Mycoplasma mycoides and JCVI-syn3B PR:PROJECT_TYPE Publication PR:PROJECT_SUMMARY Cell membranes mediate interactions between life and its environment, with PR:PROJECT_SUMMARY lipids determining their properties. Understanding how cells adjust their PR:PROJECT_SUMMARY lipidomes to tune membrane properties is crucial yet poorly defined due to the PR:PROJECT_SUMMARY complexity of most organisms. We used quantitative shotgun lipidomics to study PR:PROJECT_SUMMARY temperature adaptation in the simple organism Mycoplasma mycoides and the PR:PROJECT_SUMMARY minimal cell, JCVI-syn3B. We show that lipid abundances follow a universal PR:PROJECT_SUMMARY logarithmic distribution across eukaryotes and bacteria, with comparable degrees PR:PROJECT_SUMMARY of lipid remodeling for adaptation regardless of lipidomic or organismal PR:PROJECT_SUMMARY complexity. Lipid features analysis demonstrates head group-specific acyl chain PR:PROJECT_SUMMARY remodeling as characteristic of lipidome adaptation; its deficiency in Syn3B is PR:PROJECT_SUMMARY associated with impaired homeoviscous adaptation. Temporal analysis reveals a PR:PROJECT_SUMMARY two-stage cold adaptation process: swift cholesterol and cardiolipin shifts PR:PROJECT_SUMMARY followed by gradual acyl chain modifications. This work provides an in-depth PR:PROJECT_SUMMARY analysis of lipidome adaptation in minimal cells, laying a foundation to probe PR:PROJECT_SUMMARY the design principles of living membranes. PR:INSTITUTE TU Dresden PR:LAST_NAME Saenz PR:FIRST_NAME James PR:ADDRESS Tatzberg 41, Dresden, Saxony, 01307, Germany PR:EMAIL jpsaenz81@gmail.com PR:PHONE (+49) 351 463 43066 #STUDY ST:STUDY_TITLE Temperature change elicits lipidome adaptation in the simple organisms ST:STUDY_TITLE Mycoplasma mycoides and JCVI-syn3B ST:STUDY_SUMMARY Cell membranes mediate interactions between life and its environment, with ST:STUDY_SUMMARY lipids determining their properties. Understanding how cells adjust their ST:STUDY_SUMMARY lipidomes to tune membrane properties is crucial yet poorly defined due to the ST:STUDY_SUMMARY complexity of most organisms. We used quantitative shotgun lipidomics to study ST:STUDY_SUMMARY temperature adaptation in the simple organism Mycoplasma mycoides and the ST:STUDY_SUMMARY minimal cell, JCVI-syn3B. We show that lipid abundances follow a universal ST:STUDY_SUMMARY logarithmic distribution across eukaryotes and bacteria, with comparable degrees ST:STUDY_SUMMARY of lipid remodeling for adaptation regardless of lipidomic or organismal ST:STUDY_SUMMARY complexity. Lipid features analysis demonstrates head group-specific acyl chain ST:STUDY_SUMMARY remodeling as characteristic of lipidome adaptation; its deficiency in Syn3B is ST:STUDY_SUMMARY associated with impaired homeoviscous adaptation. Temporal analysis reveals a ST:STUDY_SUMMARY two-stage cold adaptation process: swift cholesterol and cardiolipin shifts ST:STUDY_SUMMARY followed by gradual acyl chain modifications. This work provides an in-depth ST:STUDY_SUMMARY analysis of lipidome adaptation in minimal cells, laying a foundation to probe ST:STUDY_SUMMARY the design principles of living membranes. ST:INSTITUTE TU Dresden ST:LAST_NAME Saenz ST:FIRST_NAME James ST:ADDRESS Tatzberg 41, Dresden, Saxony, 01307, Germany ST:EMAIL jpsaenz81@gmail.com ST:PHONE (+49) 351 463 43066 #SUBJECT SU:SUBJECT_TYPE Bacteria SU:SUBJECT_SPECIES Mycoplasma mycoides and JCVI-syn3B #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - MM_37 (adapted) Sample source:M. mycoides | Temperature:37 | "Time, hrs":- RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_33.5 (adapted) Sample source:M. mycoides | Temperature:33.5 | "Time, hrs":- RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_30 (adapted) Sample source:M. mycoides | Temperature:30 | "Time, hrs":- RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_27 (adapted) Sample source:M. mycoides | Temperature:27 | "Time, hrs":- RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_25 (adapted) Sample source:M. mycoides | Temperature:25 | "Time, hrs":- RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_37 (adapted) Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":- RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_33.5 (adapted) Sample source:JCVI-Syn3B | Temperature:33.5 | "Time, hrs":- RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_30 (adapted) Sample source:JCVI-Syn3B | Temperature:30 | "Time, hrs":- RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_37 start (Temporal) Sample source:M. mycoides | Temperature:37 | "Time, hrs":-0.25 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_25_0h Sample source:M. mycoides | Temperature:25 | "Time, hrs":0 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_25_1h Sample source:M. mycoides | Temperature:25 | "Time, hrs":1 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_25_2h Sample source:M. mycoides | Temperature:25 | "Time, hrs":2 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_25_4h Sample source:M. mycoides | Temperature:25 | "Time, hrs":4 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_25_8h Sample source:M. mycoides | Temperature:25 | "Time, hrs":8 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_25_24h Sample source:M. mycoides | Temperature:25 | "Time, hrs":24 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_37_0h Sample source:M. mycoides | Temperature:37 | "Time, hrs":24.25 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_37_1h Sample source:M. mycoides | Temperature:37 | "Time, hrs":25.25 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_37_2h Sample source:M. mycoides | Temperature:37 | "Time, hrs":26.25 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_37_4h Sample source:M. mycoides | Temperature:37 | "Time, hrs":28.25 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_37_8h Sample source:M. mycoides | Temperature:37 | "Time, hrs":32.25 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - MM_37_24h Sample source:M. mycoides | Temperature:37 | "Time, hrs":48.25 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_37 start (Temporal) Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":-0.25 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_30_0h Sample source:JCVI-Syn3B | Temperature:25 | "Time, hrs":0 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_30_1h Sample source:JCVI-Syn3B | Temperature:25 | "Time, hrs":1 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_30_2h Sample source:JCVI-Syn3B | Temperature:25 | "Time, hrs":2 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_30_4h Sample source:JCVI-Syn3B | Temperature:25 | "Time, hrs":4 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_30_8h Sample source:JCVI-Syn3B | Temperature:25 | "Time, hrs":8 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_30_24h Sample source:JCVI-Syn3B | Temperature:25 | "Time, hrs":24 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_37_0h Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":24.25 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_37_1h Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":25.25 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_37_2h Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":26.25 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_37_4h Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":28.25 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_37_8h Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":32.25 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx SUBJECT_SAMPLE_FACTORS - S3_37_24h Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":48.25 RAW_FILE_NAME(Raw file name)=240528_TempAdapt_Manuscript_Data.xlsx #COLLECTION CO:COLLECTION_SUMMARY Lipidomics data of M. mycoides and JCVI-syn3B membranes,extracted at different CO:COLLECTION_SUMMARY temperatures and time points, represented as molp for each of the samples. CO:COLLECTION_SUMMARY Quantification in mol % sample. mol% data were calculated, using pmols of lipid CO:COLLECTION_SUMMARY intensities (calculated from intensities of each lipid, measured m/z from the CO:COLLECTION_SUMMARY mass spectrometry), standardised to total lipid amount. CO:COLLECTION_PROTOCOL_FILENAME 240528_TempAdapt_Manuscript_Data.xlsx CO:SAMPLE_TYPE Mycoplasma #TREATMENT TR:TREATMENT_SUMMARY M. mycodies and JCVI-syn3B cells were grown at different temperatures in TR:TREATMENT_SUMMARY 25°C-37°C range and their membranes were extracted at adapted state or at TR:TREATMENT_SUMMARY different time points for lipidomic data analysis #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Bacterial samples are harvested at designated time points from the continuous SP:SAMPLEPREP_SUMMARY cell culture in the bioreactor system and washed twice at their growth SP:SAMPLEPREP_SUMMARY temperature in mycoplasma wash buffer (200 mM NaCl, 25 mM HEPES, 1% glucose, pH SP:SAMPLEPREP_SUMMARY 7.0) to remove traces of the growth medium (21000g, 2 min centrifuging steps). SP:SAMPLEPREP_SUMMARY Washed cell pellet is resuspended in 150 uL PBS and flash-frozen in liquid SP:SAMPLEPREP_SUMMARY nitrogen. Lipids are extracted using a two-step chloroform/methanol procedure SP:SAMPLEPREP_SUMMARY (Bligh-Dyer lipid extraction protocol) #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE None (Direct infusion) CH:INSTRUMENT_NAME none CH:COLUMN_NAME none CH:SOLVENT_A None CH:SOLVENT_B None CH:FLOW_GRADIENT None CH:FLOW_RATE None CH:COLUMN_TEMPERATURE None #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Lipotype AN:SOFTWARE_VERSION LipidXplorer #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Samples are analyzed by direct infusion on a QExactive mass spectrometer (Thermo MS:MS_COMMENTS Scientific) equipped with a TriVersa NanoMate ion source (Advion Biosciences). MS:MS_COMMENTS Samples are analyzed in both positive and negative ion modes with a resolution MS:MS_COMMENTS of Rm/z=200=280000 for MS (species structural resolution) and Rm/z=200=17500 for MS:MS_COMMENTS MSMS (subspecies structural resolution) experiments, in a single acquisition. MS:MS_COMMENTS MSMS is triggered by an inclusion list encompassing corresponding MS mass ranges MS:MS_COMMENTS scanned in 1 Da increments. Both MS and MSMS data are combined to monitor CE, MS:MS_COMMENTS DAG and TAG ions as ammonium adducts; cholesterol as ammonium adduct of an MS:MS_COMMENTS acetylated derivative. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS mol percent MS_METABOLITE_DATA_START Samples MM_37 (adapted) MM_33.5 (adapted) MM_30 (adapted) MM_27 (adapted) MM_25 (adapted) S3_37 (adapted) S3_33.5 (adapted) S3_30 (adapted) MM_37 start (Temporal) MM_25_0h MM_25_1h MM_25_2h MM_25_4h MM_25_8h MM_25_24h MM_37_0h MM_37_1h MM_37_2h MM_37_4h MM_37_8h MM_37_24h S3_37 start (Temporal) S3_30_0h S3_30_1h S3_30_2h S3_30_4h S3_30_8h S3_30_24h S3_37_0h S3_37_1h S3_37_2h S3_37_4h S3_37_8h S3_37_24h Factors Sample source:M. mycoides | Temperature:37 | "Time, hrs":- Sample source:M. mycoides | Temperature:33.5 | "Time, hrs":- Sample source:M. mycoides | Temperature:30 | "Time, hrs":- Sample source:M. mycoides | Temperature:27 | "Time, hrs":- Sample source:M. mycoides | Temperature:25 | "Time, hrs":- Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":- Sample source:JCVI-Syn3B | Temperature:33.5 | "Time, hrs":- Sample source:JCVI-Syn3B | Temperature:30 | "Time, hrs":- Sample source:M. mycoides | Temperature:37 | "Time, hrs":-0.25 Sample source:M. mycoides | Temperature:25 | "Time, hrs":0 Sample source:M. mycoides | Temperature:25 | "Time, hrs":1 Sample source:M. mycoides | Temperature:25 | "Time, hrs":2 Sample source:M. mycoides | Temperature:25 | "Time, hrs":4 Sample source:M. mycoides | Temperature:25 | "Time, hrs":8 Sample source:M. mycoides | Temperature:25 | "Time, hrs":24 Sample source:M. mycoides | Temperature:37 | "Time, hrs":24.25 Sample source:M. mycoides | Temperature:37 | "Time, hrs":25.25 Sample source:M. mycoides | Temperature:37 | "Time, hrs":26.25 Sample source:M. mycoides | Temperature:37 | "Time, hrs":28.25 Sample source:M. mycoides | Temperature:37 | "Time, hrs":32.25 Sample source:M. mycoides | Temperature:37 | "Time, hrs":48.25 Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":-0.25 Sample source:JCVI-Syn3B | Temperature:25 | "Time, hrs":0 Sample source:JCVI-Syn3B | Temperature:25 | "Time, hrs":1 Sample source:JCVI-Syn3B | Temperature:25 | "Time, hrs":2 Sample source:JCVI-Syn3B | Temperature:25 | "Time, hrs":4 Sample source:JCVI-Syn3B | Temperature:25 | "Time, hrs":8 Sample source:JCVI-Syn3B | Temperature:25 | "Time, hrs":24 Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":24.25 Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":25.25 Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":26.25 Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":28.25 Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":32.25 Sample source:JCVI-Syn3B | Temperature:37 | "Time, hrs":48.25 Cer 32:1;2 0.006848628 0.010842985 0.007322052 0.006814013 0.007922292 0.008899399 0.007297737 0.006453973 0.004567553 0.005379951 0.005245275 0.006064272 Cer 34:0;2 0.001432708 0.001568808 0.001542164 0.00139848 0.001297873 Cer 34:1;2 0.040280896 0.028781682 0.035527632 0.03056643 0.027653035 0.030174307 0.03061597 0.025334881 0.026986059 0.027168814 Cer 34:2;2 0.002817315 0.00207058 0.003171759 0.003261281 0.018302307 0.011874529 0.015095054 0.016169669 0.015155474 0.015622555 0.014736695 0.012105427 0.008162388 0.006623718 0.008322967 0.007938274 0.009382069 Cer 36:1;2 0.00860522 0.006794348 0.007463485 0.006524559 0.004985615 0.006097922 0.005539456 0.005747775 0.006050571 0.00422328 0.003943685 0.005187258 Cer 36:2;2 0.001725351 0.001164135 0.00174497 0.001821876 0.004994895 0.002884587 0.005216615 0.004190669 0.003643155 0.003332066 0.003234872 0.003097468 0.003257661 0.001864115 0.001774492 0.001743966 0.00246647 Cer 38:1;2 0.003799085 0.002753474 0.00363055 0.002672303 0.002333551 0.001796389 0.002535126 0.002240875 0.002967978 0.002204121 0.002374755 0.002221622 0.003322214 Cer 40:0;1 0.00142411 0.000792012 0.001323242 0.001361297 Cer 40:1;2 0.005956412 0.006122203 0.00420672 0.004975144 0.005020192 0.007632464 0.026042932 0.010396437 0.007384333 0.007725591 0.006958482 0.005942661 0.006540163 0.005671049 0.005122609 0.006356285 0.004930744 0.005982869 0.005578038 0.00765744 0.003622955 0.004057989 0.003880376 0.003791656 0.003232744 0.013354928 0.014008213 0.021486818 0.029398636 0.021342548 0.018089895 Cer 40:2;2 0.004958592 0.004662232 0.003995914 0.004341255 0.003264596 0.010251 0.006020606 0.028467681 0.041856238 0.01514877 0.017664624 0.009301044 0.007866524 0.005942857 0.005180953 0.007162835 0.009905185 0.017535327 0.005759141 0.005443678 0.007083131 0.002437736 0.013670848 0.019715609 Cer 42:0;1 0.000783 0.001501485 0.001836801 0.00123763 0.002357427 0.002103417 0.002179176 0.002748835 0.002441356 Cer 42:1;1 0.001413824 0.002189611 0.002792369 0.003322568 0.004997025 0.002409848 0.002803995 0.003025606 0.003526308 0.002299173 0.002896718 0.00358511 0.004035684 Cer 42:1;2 0.003598015 0.008009331 0.024297824 0.00696797 0.005668461 0.006019197 0.005476954 0.004392258 0.004557679 0.004876 0.005061469 0.005721363 0.003563949 0.004782287 0.00471467 0.007078622 0.004870618 0.004540728 0.00657742 0.005610818 0.006145591 0.006240866 0.01456758 0.014550023 0.020030986 0.024870841 0.017632115 0.017795346 0.018133451 Cer 42:2;2 0.015872677 0.015013496 0.011307999 0.010626183 0.009901584 0.01037751 0.023186867 0.096698825 0.028793527 0.022571156 0.02348119 0.022579861 0.017510497 0.016184318 0.013693823 0.013176073 0.013167226 0.012424424 0.01626691 0.016036802 0.019349392 0.00780038 0.007894385 0.011721046 0.010777475 0.011162568 0.009153034 0.041577007 0.042977216 0.061966579 0.08036897 0.073158343 0.066393296 0.068302659 DAG 14:0;0_18:0;0 0.003181842 0.004396153 0.003678831 0.007121617 DAG 16:0;0_16:0;0 0.150746173 0.117849588 0.127094971 0.089406301 0.0719246 0.074646209 0.079061508 0.08686898 0.117512 DAG 14:0;0_18:1;0 0.007610625 0.01923873 0.021833834 0.017523533 0.01366599 0.01394541 0.012968622 0.020127644 0.042699596 0.018573341 0.024593242 0.018761555 DAG 16:0;0_16:1;0 0.083132806 0.105787685 0.073677065 0.059317663 0.056443753 0.064986315 0.131394681 0.023212612 DAG 15:0;0_18:1;0 0.022903774 0.014518832 0.027988731 0.016224401 0.040743612 DAG 16:0;0_17:1;0 0.015947584 0.011477172 0.018435183 0.012118482 0.027938446 DAG 16:1;0_17:0;0 0.002657714 0.003383071 0.012353271 DAG 16:0;0_18:0;0 0.185328176 0.12367803 0.092729063 0.079329279 DAG 16:0;0_18:1;0 0.220475659 0.212560843 0.097189443 0.09304059 0.066804624 0.044507911 0.413073561 0.41428329 0.41593791 0.358499982 0.240889145 0.202432012 0.139680168 0.118487187 0.147457981 0.148451295 0.291321534 0.291416529 0.341881173 0.167772264 0.072354622 0.101380761 0.078066823 0.05923279 0.223259052 0.064674559 0.055762105 0.09013088 0.062171877 0.058692771 0.072821711 0.079725622 DAG 16:1;0_18:0;0 0.04666589 0.035762389 0.038788971 0.031548954 0.02113056 0.020467914 0.015914303 0.013023816 0.011727595 0.010597074 0.01863523 0.021772392 0.024851681 0.002922343 0.006799139 0.003381544 0.003530554 0.044638898 0.002413995 0.006883741 DAG 16:0;0_18:2;0 0.016312894 0.026579074 0.031498749 0.02599369 0.027080351 0.019684005 0.013541579 0.010147538 0.01086052 0.01204879 0.020898797 0.023012438 0.027788275 0.013372802 0.008559099 0.01351482 0.009582548 0.009230585 0.0153033 0.012380357 DAG 16:1;0_18:1;0 0.025923315 0.028037757 0.022722724 0.023160985 0.016042801 0.011699956 0.009656707 0.009768279 0.011868883 0.017651314 0.019116794 0.025920909 0.011107069 0.008207727 0.014933526 0.009401206 0.008188799 0.01416737 0.008496974 DAG 16:0;0_19:1;0 0.00513822 0.005635477 0.005307598 0.003470006 0.003040855 0.00367473 0.003581436 DAG 17:0;0_18:1;0 0.059593001 0.064457712 0.058832474 0.036512133 0.033295963 0.020475962 0.02186833 0.048880535 0.039504674 0.052039391 0.120249609 DAG 17:1;0_18:0;0 0.004206536 0.006475669 0.007058088 0.006500517 0.004274851 0.00395944 0.002116073 0.002466326 0.00510645 0.004229001 0.005768022 DAG 18:0;0_18:1;0 0.165418535 0.140737117 0.061512307 0.667397251 0.589477483 0.611431381 0.544120238 0.397665543 0.29277119 0.228774439 0.188860819 0.195904286 0.273362208 0.334593238 0.480065994 0.534941989 0.085507679 0.039175701 1.583777155 0.021810501 0.051381041 0.036242064 0.031470489 DAG 16:0;0_20:2;0 0.005818564 0.005680554 0.005321862 0.004226053 0.002850742 0.002557732 0.001576271 0.002031463 0.003365517 0.004088368 0.004576047 DAG 18:0;0_18:2;0 0.017878656 0.01836009 0.008928732 0.009627408 0.008191472 0.036184096 0.03712657 0.03747479 0.033761718 0.026790998 0.017125156 0.014823718 0.011984745 0.012096894 0.015228797 0.028739943 0.025017157 0.029862519 0.001888255 0.001635417 0.003638467 0.002831362 DAG 18:1;0_18:1;0 0.053325648 0.050887069 0.024183245 0.027627945 0.022963383 0.102442813 0.094614756 0.095859499 0.083359169 0.058357766 0.039332454 0.036959042 0.031596725 0.0311353 0.037524407 0.065373897 0.060488419 0.074031038 0.010659505 0.008648943 0.015585576 0.009645287 DAG 16:0;0_20:3;0 0.020869322 0.070252123 0.073727927 0.0726825 0.06962901 0.052457238 0.042150702 0.032258307 0.021799204 0.029229167 0.028230311 0.044238704 0.049958426 0.06678084 DAG 18:1;0_18:2;0 0.010454637 0.015875717 0.016977219 0.018299589 0.01598794 0.011057769 0.008823502 0.008405152 0.006137329 0.009073577 0.006625777 0.009832355 0.010848864 0.016981627 DAG 16:0;0_20:4;0 0.025733796 0.079680984 0.083616745 0.079438448 0.057347143 0.044913216 0.020206263 0.024376021 0.029116618 0.038327645 0.057383706 0.065974354 0.077506628 DAG 16:1;0_20:3;0 0.001271274 0.001217565 0.001032359 DAG 18:2;0_18:2;0 0.000556187 0.001594048 DAG 18:0;0_20:3;0 0.077186506 0.069627719 0.075482381 0.062694705 0.049577552 0.042693501 0.029955821 0.016439531 0.020212119 0.021270003 0.040878802 0.048647645 0.052559796 DAG 16:0;0_22:4;0 0.005387477 0.005414121 0.003759194 0.00322925 0.002716821 0.001727244 0.001747293 0.001743671 0.002534684 0.003490343 0.003597826 DAG 18:0;0_20:4;0 0.035131169 0.062164315 0.062896641 0.066077355 0.058389291 0.04428016 0.036585819 0.024796911 0.020293463 0.021309179 0.027041861 0.040545613 0.050014687 0.054341634 DAG 18:1;0_20:3;0 0.016182848 0.021436822 0.017755225 0.019029121 0.017284713 0.013639338 0.011410172 0.008569733 0.00670117 0.006341771 0.007551341 0.010964936 0.015696411 0.015107337 DAG 16:0;0_22:5;0 0.039565335 0.031224557 0.038917344 0.020527075 0.015616468 0.036182329 DAG 18:1;0_20:4;0 0.077155617 0.023669052 0.021389636 0.058956422 0.039884531 0.043125612 0.009770485 0.006855227 0.008922869 0.03398736 0.033842598 0.056799974 0.018489487 DAG 16:0;0_22:6;0 0.055754099 0.058186802 0.055174639 0.045948026 0.040569653 0.030845159 0.022458999 0.013542445 0.017795276 0.022195126 0.032531663 0.045162202 0.042117281 DAG 18:0;0_22:5;0 0.036992601 0.052109324 0.049957652 0.058431003 0.046899428 0.043777554 0.043557438 0.028354241 0.018380945 0.021433963 0.02489259 0.036393459 0.043336629 0.050930889 DAG 18:0;0_22:6;0 0.092853521 0.070639494 0.064196408 0.055038238 0.054878707 0.0338215 0.020705964 0.021750281 0.028684342 0.04638617 0.050484561 0.053671975 DAG 18:1;0_22:5;0 0.012962905 0.010508227 0.008787591 0.007342394 0.007034294 0.005270619 0.003357705 0.002781935 0.004130666 0.006586881 0.006785807 0.006770568 DAG 20:3;0_20:3;0 0.001113934 0.001003611 0.001300203 0.000991319 DAG 18:1;0_22:6;0 0.011049702 TAG 36:0;0 0.035413297 TAG 38:0;0 0.036017413 TAG 44:0;0 0.031426617 TAG 44:1;0 0.042371141 TAG 45:1;0 0.051298564 TAG 46:0;0 0.07900127 TAG 46:1;0 0.039347515 0.04887104 0.100751694 0.073182014 TAG 46:2;0 0.076765693 TAG 47:0;0 0.053469096 TAG 47:1;0 0.16468019 TAG 47:2;0 0.041656561 TAG 48:1;0 0.009817345 0.025645143 0.022696001 0.049805288 TAG 48:2;0 0.018211211 0.017015549 0.008133301 0.006968999 0.04299281 0.024360034 TAG 49:1;0 0.024927587 0.020288061 0.088516806 TAG 49:2;0 0.063454623 TAG 50:1;0 0.016790477 0.025911724 0.03242076 0.026966208 0.021187615 0.021197497 0.018970918 0.024276835 0.045669442 0.011249876 0.013481961 0.029462193 0.020128507 0.022875187 0.011619162 TAG 50:2;0 0.011718531 0.021290727 0.036875441 0.026243737 0.02196753 0.019918938 0.017996182 0.017879704 0.045660856 0.015861308 0.022361309 0.022847311 0.009989185 TAG 50:3;0 0.009131198 0.007660036 0.00637237 0.023121209 0.011427059 TAG 52:1;0 0.009202736 0.01779946 TAG 52:2;0 0.012371291 0.013598685 0.022638927 0.033847498 0.022134523 0.026060695 0.025693877 0.019585309 0.023117303 0.038126565 0.0406366 0.022918592 0.029262234 0.021962286 0.032200728 0.019940101 0.015630655 0.01548796 0.027917845 0.025874443 0.012793479 0.032826238 0.018450277 TAG 52:3;0 0.00799431 0.027972832 0.016373892 0.015882616 0.017249699 0.013484462 0.027889522 0.024777751 0.014279656 0.009121699 TAG 52:4;0 0.009917498 0.015029721 0.007114281 TAG 54:2;0 0.010875002 0.006315074 TAG 54:3;0 0.034720466 0.017705219 0.027986119 0.007856749 0.007361831 0.007738576 0.02895779 0.032978174 0.011323641 0.012543556 0.015174363 0.013232193 TAG 54:4;0 0.013409275 0.010716211 0.011531181 0.023772792 0.005321628 0.014709813 0.012967035 0.006287243 0.016522944 TAG 54:5;0 0.010729701 0.00999082 0.007401618 0.024982918 0.00793882 0.012474773 0.011693694 0.008637977 0.010509588 0.017476649 TAG 54:6;0 0.010465133 0.023453762 0.011054719 0.011316933 CE 14:0;0 0.799472442 1.248250883 1.411653649 1.617360939 1.325048016 0.079082229 1.044498543 1.11264835 0.959081305 0.895579466 1.277900109 1.236906602 1.349605415 1.476404317 1.645862573 1.586445067 1.414965248 1.351076465 0.914144545 0.04418481 0.049116742 0.049062538 0.040516163 0.039094905 0.024404229 0.026689734 0.039941864 0.052357456 0.040013475 0.039937312 CE 15:0;0 0.566786984 0.820691809 0.960048048 1.083833303 0.877264329 0.876415721 0.893111413 0.772826126 1.021366525 1.041887389 1.151166964 1.205739418 1.283938495 1.287579368 1.174251595 1.100121761 0.744831509 0.043366823 0.078005228 0.039267323 0.047305861 0.048738414 0.027643001 0.111751872 0.070069941 0.04760778 0.015346264 CE 15:1;0 8.072753484 0.032737438 0.022872255 0.029836919 0.024297051 0.022440053 CE 16:0;0 6.919348933 10.0725581 11.63843869 13.87638233 10.86614297 0.623608695 1.193902275 0.832719144 8.229960905 8.099406452 7.065904811 3.339039226 8.959226281 8.994924302 9.806474146 10.64187069 11.74406758 11.64504412 10.60312819 9.764007916 6.675083025 0.514121611 0.426499279 0.317164499 0.450716797 0.357269015 0.282876107 0.257813351 0.217276318 0.215272377 0.60459711 0.322928112 0.274651172 0.289712359 CE 16:1;0 2.932081591 4.092078684 4.892181613 5.533631943 4.527577261 0.29461199 3.219506405 3.3521068 2.835140867 0.076238616 3.848947815 3.80828839 4.181341403 4.485179084 4.920706323 4.857841777 4.265763173 4.124612156 2.838785596 0.182437087 0.211943384 0.170570757 0.209482441 0.187670996 0.148074673 0.136230311 0.097396317 0.118925754 0.293228476 0.159807627 0.15977614 0.151051202 CE 16:2;0 0.080143663 0.119286555 0.129388927 0.145969727 0.112101621 0.064043982 0.07829329 0.068482718 0.307941196 0.092000708 0.095348846 0.097257174 0.10203441 0.113589647 0.125452541 0.100143057 0.093732771 0.068229641 CE 17:0;0 0.264349794 0.253336997 0.332059254 0.330738897 0.272402974 0.337809491 0.30254668 0.264419601 0.897611577 0.364818434 0.333328869 0.362458715 0.402352954 0.462131023 0.436425961 0.438930777 0.432137869 0.360668025 0.070620103 0.047092634 CE 17:1;0 0.761736126 1.026116762 1.296431194 1.40727303 1.15708202 0.121139484 0.072320916 0.827352906 0.902143048 0.788259407 1.04730667 1.019842627 1.114464115 1.18920149 1.310581917 1.289950376 1.228262536 1.120556116 0.808035266 0.063926192 0.047985063 0.049451935 0.050398408 0.046683973 0.036705305 0.031948674 0.021880573 0.083656601 0.030812698 0.044986263 0.030149761 CE 17:2;0 0.201910082 0.022512234 0.024424913 0.025834736 CE 18:0;0 0.189491962 0.123077694 0.148281522 0.148664756 0.152114951 0.233765086 0.205576961 0.154199819 6.963748101 0.226831842 0.21081988 0.20790148 0.244462141 0.233038811 0.246710843 0.270108962 0.296466828 0.320577081 0.059072059 0.074724822 0.051936592 0.045337652 0.053719426 0.029245906 0.031918395 0.030627378 CE 18:1;0 6.885558532 8.978484334 10.39106112 11.63917698 9.683832906 0.624477969 1.170522565 0.714143843 6.978995569 7.040547947 6.060940318 4.496079954 8.128998847 7.961201253 8.709531538 9.200949995 9.950411933 9.939125097 9.622265141 8.778894613 6.402042606 0.572094102 0.601240404 0.440290458 0.586669901 0.479500838 0.358848559 0.309829269 0.258746157 0.250543309 0.727989316 0.370838985 0.358535179 0.408909394 CE 18:2;0 3.689346367 5.449517779 6.633278258 7.116683595 5.945232518 0.491714217 0.355585083 3.922550644 4.352760693 3.811127516 0.31887633 5.284857855 4.984899668 5.615689041 5.969673364 6.420853592 6.311568026 5.885688915 5.210433378 3.69157756 0.241336688 0.250408384 0.18622057 0.247215307 0.214353168 0.173755324 0.164439179 0.132571577 0.11847681 0.335508827 0.199827211 0.160543501 0.178164486 CE 18:3;0 0.329173835 0.405262607 0.521673499 0.494187723 0.47284823 0.277363004 0.335002227 0.244836544 0.416321362 0.375290078 0.415545717 0.428115672 0.451226261 0.473933167 0.423976935 0.420486145 0.326168207 0.021171711 0.023375335 CE 19:0;0 0.042681177 0.047402793 CE 19:1;0 0.057564169 0.056973231 0.050765275 0.056996128 0.054331589 0.069330579 0.059184917 0.056442967 0.050021539 CE 19:2;0 0.055281873 0.045236 CE 19:3;0 0.0386509 0.034687645 0.035712062 0.036783281 0.041924881 0.033310852 0.030701847 CE 20:1;0 0.033856409 0.0272677 0.038181107 0.039135715 0.043039272 CE 20:2;0 0.554225296 0.036657218 0.034542976 0.036043647 0.048238349 0.045651389 0.033530463 0.040959898 CE 20:3;0 0.477308638 0.724621033 0.947238533 0.868651584 0.843697553 0.472606468 0.558203519 0.475395712 3.75023818 0.688705434 0.665266172 0.762092293 0.828809618 0.827049671 0.870399974 0.839716659 0.702922009 0.468939432 0.030077516 0.020126242 0.033321517 0.014560207 CE 20:4;0 5.124958432 6.447288848 0.421384411 0.307433902 3.043568987 3.739702499 3.074005301 0.819792016 4.704386073 4.491500738 5.298225828 5.528623927 5.94414856 5.83368187 5.468479707 4.636732993 3.16405244 0.147588965 0.220628356 0.143784266 0.213798777 0.176424975 0.140076174 0.137908435 0.106898341 0.07596587 0.273378715 0.169413583 0.135594927 0.160717707 CE 20:5;0 1.446711022 0.061755187 0.608167247 0.740771112 0.606261212 1.013851181 0.930719034 1.124752363 1.22227774 1.27249942 1.195925038 1.155493079 0.965131407 0.638982422 0.03636853 0.032890157 0.039239764 0.040417205 0.025593566 0.032609607 0.02959011 0.056820791 0.032191729 0.021455478 0.03404043 CE 21:0;0 0.156942812 0.078562693 CE 22:0;0 0.132324843 0.104443654 0.03993174 0.106901094 0.094002614 0.029604215 CE 22:1;0 0.153008782 0.02758533 CE 22:5;0 0.137946993 0.199530098 0.292975362 0.293752053 0.242707053 0.117197456 0.140380499 0.106385571 1.100303361 0.18973083 0.177951489 0.210610086 0.209799717 0.232512108 0.222477663 0.210908741 0.179074402 0.112725918 CE 22:6;0 0.897404356 1.453972132 2.013231449 1.931125467 1.745399315 0.079343066 0.778172847 1.085497268 0.886644156 1.462287035 1.320060682 1.657495669 1.684819221 1.830242013 1.751458262 1.626394858 1.39618773 0.892751746 0.05732731 0.045327455 0.055942138 0.050883214 0.02962147 0.029458854 0.033451139 0.072879119 0.045258825 0.031384498 0.047263727 CE 24:1;0 30.2410164 0.038987382 0.027430647 Chol 31.00280497 26.1792994 22.74897524 25.38249175 24.71914231 52.80840427 54.03974728 55.29658136 32.36080553 33.57713519 31.29793948 27.72687253 29.25355135 26.47214702 26.69868135 25.87424548 26.08360041 26.57622513 29.72003479 36.35259021 57.69498613 56.75034992 52.7548812 56.31099362 54.52706838 53.1061105 55.54450777 56.71275106 58.40532747 59.16603775 53.71010101 53.35105228 54.61852828 Cer 40:2;4 0.00556521 Cer 42:2;1 0.001271417 0.002486946 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Cer 32:1;2 Cer 34:0;2 Cer 34:1;2 Cer 34:2;2 Cer 36:1;2 Cer 36:2;2 Cer 38:1;2 Cer 40:0;1 Cer 40:1;2 Cer 40:2;2 Cer 42:0;1 Cer 42:1;1 Cer 42:1;2 Cer 42:2;2 DAG 14:0;0_18:0;0 DAG 16:0;0_16:0;0 DAG 14:0;0_18:1;0 DAG 16:0;0_16:1;0 DAG 15:0;0_18:1;0 DAG 16:0;0_17:1;0 DAG 16:1;0_17:0;0 DAG 16:0;0_18:0;0 DAG 16:0;0_18:1;0 DAG 16:1;0_18:0;0 DAG 16:0;0_18:2;0 DAG 16:1;0_18:1;0 DAG 16:0;0_19:1;0 DAG 17:0;0_18:1;0 DAG 17:1;0_18:0;0 DAG 18:0;0_18:1;0 DAG 16:0;0_20:2;0 DAG 18:0;0_18:2;0 DAG 18:1;0_18:1;0 DAG 16:0;0_20:3;0 DAG 18:1;0_18:2;0 DAG 16:0;0_20:4;0 DAG 16:1;0_20:3;0 DAG 18:2;0_18:2;0 DAG 18:0;0_20:3;0 DAG 16:0;0_22:4;0 DAG 18:0;0_20:4;0 DAG 18:1;0_20:3;0 DAG 16:0;0_22:5;0 DAG 18:1;0_20:4;0 DAG 16:0;0_22:6;0 DAG 18:0;0_22:5;0 DAG 18:0;0_22:6;0 DAG 18:1;0_22:5;0 DAG 20:3;0_20:3;0 DAG 18:1;0_22:6;0 TAG 36:0;0 TAG 38:0;0 TAG 44:0;0 TAG 44:1;0 TAG 45:1;0 TAG 46:0;0 TAG 46:1;0 TAG 46:2;0 TAG 47:0;0 TAG 47:1;0 TAG 47:2;0 TAG 48:1;0 TAG 48:2;0 TAG 49:1;0 TAG 49:2;0 TAG 50:1;0 TAG 50:2;0 TAG 50:3;0 TAG 52:1;0 TAG 52:2;0 TAG 52:3;0 TAG 52:4;0 TAG 54:2;0 TAG 54:3;0 TAG 54:4;0 TAG 54:5;0 TAG 54:6;0 CE 14:0;0 CE 15:0;0 CE 15:1;0 CE 16:0;0 CE 16:1;0 CE 16:2;0 CE 17:0;0 CE 17:1;0 CE 17:2;0 CE 18:0;0 CE 18:1;0 CE 18:2;0 CE 18:3;0 CE 19:0;0 CE 19:1;0 CE 19:2;0 CE 19:3;0 CE 20:1;0 CE 20:2;0 CE 20:3;0 CE 20:4;0 CE 20:5;0 CE 21:0;0 CE 22:0;0 CE 22:1;0 CE 22:5;0 CE 22:6;0 CE 24:1;0 Chol Cer 40:2;4 Cer 42:2;1 METABOLITES_END #END