#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