#METABOLOMICS WORKBENCH kovacs_david_20251203_062901 DATATRACK_ID:6817 STUDY_ID:ST004430 ANALYSIS_ID:AN007411 PROJECT_ID:PR002673 VERSION 1 CREATED_ON December 3, 2025, 7:40 am #PROJECT PR:PROJECT_TITLE Chain length-dependent mobilization and oxidation of fatty acids in adipocytes PR:PROJECT_SUMMARY Fatty acids (FAs) are essential metabolites in energy homeostasis. Adipocytes PR:PROJECT_SUMMARY store FAs as triacylglycerol (TG) in their lipid droplets and mobilize them upon PR:PROJECT_SUMMARY demand in order to provide energy for peripheral tissues. While the mobilization PR:PROJECT_SUMMARY of long-chain fatty acids (LCFAs) during lipolysis is largely documented, there PR:PROJECT_SUMMARY is little information on the metabolism of short- and medium-chain fatty acids PR:PROJECT_SUMMARY (SMCFA) in adipocytes. We demonstrate that adipocytes store SMCFAs in their PR:PROJECT_SUMMARY lipid droplets and that following lipolysis initiation, TGs containing SMCFAs PR:PROJECT_SUMMARY undergo rapid hydrolysis. We found that this process is facilitated by the PR:PROJECT_SUMMARY preferential accumulation of SMCFA-containing TGs at the surface of lipid PR:PROJECT_SUMMARY droplets, thereby enhancing their accessibility to lipases. Unlike LCFAs, SMCFAs PR:PROJECT_SUMMARY are not released from the adipocytes following lipolysis but undergo oxidation PR:PROJECT_SUMMARY within the cell. Our findings suggest that SMCFAs are preferentially mobilized PR:PROJECT_SUMMARY and oxidized to provide energy for the adipocyte, highlighting a distinct PR:PROJECT_SUMMARY metabolic fate compared to LCFAs. PR:INSTITUTE University of Szeged PR:DEPARTMENT Institute of Biochemistry PR:LAST_NAME Kovacs PR:FIRST_NAME David PR:ADDRESS Dóm tér 9, Szeged, Csongrád-Csanád, 6723, Hungary PR:EMAIL kovacs.david@med.u-szeged.hu PR:PHONE +3662342665 #STUDY ST:STUDY_TITLE Time-resolved lipidomics analysis of TERT-hWA adipocytes upon differentiation ST:STUDY_SUMMARY TERT-hWA cells (5,000 per well) were seeded into ultra-low attachment plates in ST:STUDY_SUMMARY medium containing 2% FBS and allowed to form spheroids for 5 days. On day 0, ST:STUDY_SUMMARY pre-formed spheroids were treated with an adipogenic differentiation cocktail ST:STUDY_SUMMARY and cultured for an additional 2 weeks to generate fully differentiated ST:STUDY_SUMMARY adipocyte spheroids. At defined days of the differentiation process (days 0, 6, ST:STUDY_SUMMARY 12, and 19), eight spheroids per sample were collected, and lipids were ST:STUDY_SUMMARY extracted. Lipids were analysied by LC-MS/MS in the resulted ACN and HEX ST:STUDY_SUMMARY fractions. ST:INSTITUTE University of Szeged ST:LAST_NAME David ST:FIRST_NAME Kovacs ST:ADDRESS Dóm tér 9, 6723 ST:EMAIL kovacs.david@med.u-szeged.hu ST:PHONE +3662342665 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 Day_0_1 1 Condition:Day_0 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d0-1_Pos1.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_0_1 2 Condition:Day_0 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d0-1_Pos2.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_0_1 3 Condition:Day_0 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d0-1_Pos3.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_0_2 4 Condition:Day_0 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d0-2_Pos1.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_0_2 5 Condition:Day_0 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d0-2_Pos2.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_0_2 6 Condition:Day_0 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d0-2_Pos3.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_0_3 7 Condition:Day_0 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d0-3_Pos1.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_0_3 8 Condition:Day_0 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d0-3_Pos2.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_0_3 9 Condition:Day_0 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d0-3_Pos3.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_12_1 10 Condition:Day_12 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d12-1_Pos1.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_12_1 11 Condition:Day_12 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d12-1_Pos2.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_12_1 12 Condition:Day_12 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d12-1_Pos3.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_12_2 13 Condition:Day_12 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d12-2_Pos1.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_12_2 14 Condition:Day_12 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d12-2_Pos2.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_12_2 15 Condition:Day_12 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d12-2_Pos3.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_12_3 16 Condition:Day_12 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d12-3_Pos1.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_12_3 17 Condition:Day_12 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d12-3_Pos2.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_12_3 18 Condition:Day_12 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d12-3_Pos3.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_19_1 19 Condition:Day_19 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d19-1_Pos1.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_19_1 20 Condition:Day_19 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d19-1_Pos2.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_19_1 21 Condition:Day_19 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d19-1_Pos3.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_19_2 22 Condition:Day_19 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d19-2_Pos1.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_19_2 23 Condition:Day_19 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d19-2_Pos2.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_19_2 24 Condition:Day_19 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d19-2_Pos3.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_19_3 25 Condition:Day_19 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d19-3_Pos1.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_19_3 26 Condition:Day_19 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d19-3_Pos2.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_19_3 27 Condition:Day_19 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d19-3_Pos3.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_6_1 28 Condition:Day_6 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d6-1_Pos1.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_6_1 29 Condition:Day_6 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d6-1_Pos2.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_6_1 30 Condition:Day_6 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d6-1_Pos3.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_6_2 31 Condition:Day_6 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d6-2_Pos1.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_6_2 32 Condition:Day_6 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d6-2_Pos2.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_6_2 33 Condition:Day_6 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d6-2_Pos3.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_6_3 34 Condition:Day_6 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d6-3_Pos1.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_6_3 35 Condition:Day_6 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d6-3_Pos2.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_6_3 36 Condition:Day_6 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_ACN_d6-3_Pos3.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Extraction_blank 37 Condition:Blank | Injection order:1 | Sample source:PBS RAW_FILE_NAME(Raw file name)=230511_ACN_ext-blk_Pos1.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Extraction_blank 38 Condition:Blank | Injection order:2 | Sample source:PBS RAW_FILE_NAME(Raw file name)=230511_ACN_ext-blk_Pos2.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Extraction_blank 39 Condition:Blank | Injection order:3 | Sample source:PBS RAW_FILE_NAME(Raw file name)=230511_ACN_ext-blk_Pos3.raw; Phase=ACN SUBJECT_SAMPLE_FACTORS Day_0_1 40 Condition:Day_0 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d0-1_Pos1.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_0_1 41 Condition:Day_0 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d0-1_Pos2.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_0_1 42 Condition:Day_0 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d0-1_Pos3.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_0_2 43 Condition:Day_0 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d0-2_Pos1.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_0_2 44 Condition:Day_0 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d0-2_Pos2.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_0_2 45 Condition:Day_0 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d0-2_Pos3.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_0_3 46 Condition:Day_0 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d0-3_Pos1.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_0_3 47 Condition:Day_0 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d0-3_Pos2.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_0_3 48 Condition:Day_0 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d0-3_Pos3.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_12_1 49 Condition:Day_12 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d12-1_d2_Pos1.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_12_1 50 Condition:Day_12 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d12-1_d2_Pos2.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_12_1 51 Condition:Day_12 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d12-1_d2_Pos3.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_12_2 52 Condition:Day_12 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d12-2_d2_Pos1.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_12_2 53 Condition:Day_12 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d12-2_d2_Pos2.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_12_2 54 Condition:Day_12 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d12-2_d2_Pos3.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_12_3 55 Condition:Day_12 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d12-3_d2_Pos1.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_12_3 56 Condition:Day_12 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d12-3_d2_Pos2.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_12_3 57 Condition:Day_12 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d12-3_d2_Pos3.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_19_1 58 Condition:Day_19 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d19-1_d5_Pos1.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_19_1 59 Condition:Day_19 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d19-1_d5_Pos2.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_19_1 60 Condition:Day_19 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d19-1_d5_Pos3.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_19_2 61 Condition:Day_19 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d19-2_d5_Pos1.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_19_2 62 Condition:Day_19 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d19-2_d5_Pos2.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_19_2 63 Condition:Day_19 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d19-2_d5_Pos3.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_19_3 64 Condition:Day_19 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d19-3_d5_Pos1.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_19_3 65 Condition:Day_19 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d19-3_d5_Pos2.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_19_3 66 Condition:Day_19 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d19-3_d5_Pos3.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_6_1 67 Condition:Day_6 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d6-1_Pos1.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_6_1 68 Condition:Day_6 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d6-1_Pos2.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_6_1 69 Condition:Day_6 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d6-1_Pos3.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_6_2 70 Condition:Day_6 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d6-2_Pos1.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_6_2 71 Condition:Day_6 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d6-2_Pos2.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_6_2 72 Condition:Day_6 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d6-2_Pos3.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_6_3 73 Condition:Day_6 | Injection order:1 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d6-3_Pos1.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_6_3 74 Condition:Day_6 | Injection order:2 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d6-3_Pos2.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Day_6_3 75 Condition:Day_6 | Injection order:3 | Sample source:Adipocyte_spheroids RAW_FILE_NAME(Raw file name)=230511_HEX_d6-3_Pos3.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Extraction_blank 76 Condition:Blank | Injection order:1 | Sample source:PBS RAW_FILE_NAME(Raw file name)=230511_HEX_ext-blk_Pos1.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Extraction_blank 77 Condition:Blank | Injection order:2 | Sample source:PBS RAW_FILE_NAME(Raw file name)=230511_HEX_ext-blk_Pos2.raw; Phase=HEX SUBJECT_SAMPLE_FACTORS Extraction_blank 78 Condition:Blank | Injection order:3 | Sample source:PBS RAW_FILE_NAME(Raw file name)=230511_HEX_ext-blk_Pos3.raw; Phase=HEX #COLLECTION CO:COLLECTION_SUMMARY On the indicated days of differentiation, spheroids were pooled in a minimal CO:COLLECTION_SUMMARY volume of PBS in glass tubes (8 spheroid/replicate) then ACN and Hex phases were CO:COLLECTION_SUMMARY extracted from TERT-hWA as described in the Sampleprep section. The phases were CO:COLLECTION_SUMMARY analysed by LC-MS/MS and each sample was injected at least times. CO:SAMPLE_TYPE Adipocyte spheroids #TREATMENT TR:TREATMENT_SUMMARY Pooled spheroids (8/sample) at different days of differentiation (Day 0, 6, 12 TR:TREATMENT_SUMMARY and 19) were collected and extracted. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY To extract lipids from spheroids, a 3-phase liquid extraction was performed to SP:SAMPLEPREP_SUMMARY separate neutral and polar lipids. Spheroids were collected in a minimum SP:SAMPLEPREP_SUMMARY phosphate-buffered saline (PBS) volume (aqueous). Spheroids were transferred SP:SAMPLEPREP_SUMMARY into glass tubes, containing already the internal standard mix (Splash) and TG SP:SAMPLEPREP_SUMMARY 6:0/6:0/6:0. Then, to reduce sample loss, 0.75 mL of ACN were added to SP:SAMPLEPREP_SUMMARY microtubes, vortexed, and transferred into the corresponding glass tubes. The SP:SAMPLEPREP_SUMMARY remaining solvents were added to each sample: 0.75 mL Hex, 0.25 mL EtAc. The SP:SAMPLEPREP_SUMMARY aqueous phase (sample) was completed with ultrapure water when needed, resulting SP:SAMPLEPREP_SUMMARY in Hex:EtAc:ACN:Aqueous (3:1:3:2, V:V:V:V). Spheroid samples were first vortexed SP:SAMPLEPREP_SUMMARY for 30 min at 4oC with glass beads, and only then centrifuged. The upper phase SP:SAMPLEPREP_SUMMARY was collected into a new tube with a Hamilton glass syringe, which was washed SP:SAMPLEPREP_SUMMARY three times in solvent between samples. Hex was added (half the volume of the SP:SAMPLEPREP_SUMMARY first extraction) to the 2 remaining phases for re-extraction. Samples were SP:SAMPLEPREP_SUMMARY again vortexed and centrifuged, and upper and middle phases were collected SP:SAMPLEPREP_SUMMARY separately. To reduce phospholipid loss, a re-extraction of middle phase was SP:SAMPLEPREP_SUMMARY done with ACN:EtAc (3:1, V:V) (half the volume of first extraction). Extraction SP:SAMPLEPREP_SUMMARY (solvents and water) and experiment blanks (PBS) were included. All extraction SP:SAMPLEPREP_SUMMARY solvents had 50 μg/mL BHT. Extracted samples were kept dried at -20oC under Ar. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Thermo Accucore C18 (150 x 2.1mm,2.6um) CH:SOLVENT_A 50% Acetonitrile/50% Water; 10 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 88% Isopropanom/10% Acetonitrile/2% Water; 2 mM ammonium formate; 0.02 % formic CH:SOLVENT_B acid CH:FLOW_GRADIENT 0.0 min, 35% B; 4.0 min, 60% B; 8.0 min, 70% B; 16.0 min, 85% B; 25.0 min, 97% B CH:FLOW_RATE 400 µl/min CH:COLUMN_TEMPERATURE 35°C #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME CNRS Institute of Molecular and Cellular Pharmacology #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Data acquisition was conducted in positive ionization mode using Xcalibur MS:MS_COMMENTS software (v4.1.31.9). Full scan MS spectra were acquired in data-dependent MS2 MS:MS_COMMENTS (dd-MS2) mode at a resolution of 70 000 (at m/z 200) over a mass range of m/z MS:MS_COMMENTS 250-1200. The automatic gain control (AGC) target was set to 1 × 10⁶ with a MS:MS_COMMENTS maximum injection time of 100 ms. The 15 most intense precursor ions per sac MS:MS_COMMENTS cycle were selected for fragmentation. Precursor isolation was performed with a MS:MS_COMMENTS 1.0 m/z isolation window, and fragmentation was achieved using higher-energy MS:MS_COMMENTS collisional dissociation (HCD) at normalized collision energy (NCE) of 25 and 30 MS:MS_COMMENTS eV. MS/MS spectra were acquired in the ion trap at a resolution of 35,000 (at MS:MS_COMMENTS m/z 200) with an AGC target of 1 × 10⁵ and a maximum injection time of 80 ms. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS raw intensity MS_METABOLITE_DATA_START Samples 1 2 3 4 5 6 7 8 9 28 29 30 31 32 33 34 35 36 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 37 38 39 40 41 42 43 44 45 46 47 48 67 68 69 70 71 72 73 74 75 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 76 77 78 Factors Condition:Day_0 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Blank | Injection order:1 | Sample source:PBS Condition:Blank | Injection order:2 | Sample source:PBS Condition:Blank | Injection order:3 | Sample source:PBS Condition:Day_0 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_0 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_6 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_12 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:1 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:2 | Sample source:Adipocyte_spheroids Condition:Day_19 | Injection order:3 | Sample source:Adipocyte_spheroids Condition:Blank | Injection order:1 | Sample source:PBS Condition:Blank | Injection order:2 | Sample source:PBS Condition:Blank | Injection order:3 | Sample source:PBS Cer(d18:1_16:0) 21180000 21380000 21430000 7742000 8112000 8251000 30060000 29750000 30020000 8207000 7720000 7989000 6620000 6901000 6590000 8214000 8405000 8144000 Cer(d18:1_24:0) 12260000 12400000 12560000 3944000 4122000 4197000 16610000 15650000 16690000 6520000 6342000 6426000 5164000 4776000 5069000 6657000 6681000 6661000 Cer(d18:1_24:1) 5418000 5359000 5539000 1908000 1957000 2031000 8260000 7794000 8215000 ChE() 21850000 22060000 20620000 18170000 18060000 19180000 18170000 18160000 18730000 16720000 15570000 16660000 17840000 17950000 17790000 17010000 17670000 17640000 Co(Q10) 5089000 4881000 4880000 4151000 4074000 4215000 4680000 4888000 4834000 8904000 9041000 8957000 13580000 12540000 12370000 9537000 9438000 8905000 3172000 2980000 3251000 2483000 2507000 2473000 3683000 3739000 3768000 DG(16:0_16:1) 103200 189500 210800 116900 124300 43670 82230 234600 239700 273000 395700 320800 354800 380100 374000 321700 439800 227700 2583000 2648000 2444000 2381000 2408000 2660000 2265000 2234000 2181000 8214000 7362000 8134000 8174000 8092000 8013000 6575000 7290000 7430000 8011000 8309000 8093000 8099000 7964000 7654000 7879000 7988000 8072000 73860000 73710000 75040000 105800000 99130000 100400000 81120000 77750000 77660000 36110000 37130000 35850000 26410000 30900000 27630000 40080000 41380000 41460000 5260000 5024000 4520000 DG(16:0_18:1) 6646000 7101000 7315000 6531000 5436000 5182000 5031000 5243000 5193000 20770000 20800000 21500000 31520000 29810000 26510000 22420000 21930000 21320000 17480000 15040000 15760000 13770000 11660000 11830000 18130000 17890000 19780000 DG(16:1_14:0) 15370000 15020000 15060000 21690000 21320000 21320000 18110000 16900000 17010000 7345000 7060000 6964000 4950000 4711000 5558000 7847000 7977000 7895000 DG(16:1_14:1) 5426000 5126000 5397000 5777000 6040000 5977000 5960000 5425000 5928000 2906000 2950000 3010000 1909000 1926000 1984000 2874000 3095000 3072000 DG(16:1_16:1) 34790 1 0 1 0 1 28250 0 1 422800 243800 365900 255200 298800 278200 429300 325200 362500 3101000 3262000 3076000 2342000 2374000 2527000 2389000 2618000 2461000 7395000 7166000 7457000 7708000 7576000 8015000 6364000 6115000 5563000 15950000 16120000 16160000 12820000 12830000 12120000 16570000 17360000 16880000 52970000 51310000 51370000 65800000 65330000 63390000 60760000 58830000 58530000 23480000 22180000 22560000 15120000 14080000 17300000 23310000 23360000 24230000 3070000 2899000 2636000 DG(16:1_18:1) 11180000 10730000 10550000 9709000 9834000 9184000 11620000 11860000 11610000 32600000 33430000 34970000 36360000 34620000 35020000 35280000 34140000 33050000 20160000 19980000 20660000 14490000 14280000 14510000 21090000 21480000 21790000 DG(18:1_18:1) 6831000 6655000 6877000 6126000 6196000 6067000 9116000 8782000 9275000 14180000 13420000 14240000 10880000 7974000 7343000 8108000 8313000 8741000 11370000 11580000 12020000 11330000 10330000 10960000 10590000 10440000 10520000 7545000 7404000 7548000 5949000 6074000 5978000 7648000 7717000 7655000 LPC(14:0) 554100 525100 499800 527800 529000 551500 634900 747900 676300 1454000 1553000 1499000 1142000 1076000 1127000 2132000 2131000 2146000 2996000 3051000 2947000 2415000 2366000 2285000 1511000 1564000 1532000 3614000 3810000 3714000 4116000 4013000 4175000 3959000 4300000 4121000 LPC(16:0) 13860000 12660000 13360000 24550000 24470000 24470000 20350000 19660000 20100000 15300000 15770000 15440000 11960000 12910000 12760000 20580000 19950000 19790000 66000000 65490000 65130000 49740000 49580000 51470000 35880000 35730000 35130000 176100000 171700000 172400000 190900000 180700000 184700000 174500000 178000000 175000000 LPC(16:1) 1910000 1782000 1839000 2061000 2036000 2117000 3783000 3615000 3524000 10880000 11330000 11190000 6687000 5080000 6448000 13480000 13830000 13480000 40800000 41450000 38920000 32880000 33010000 33460000 22440000 22290000 21890000 69020000 68000000 69180000 75740000 74460000 75080000 75020000 76320000 73790000 LPC(18:0) 11760000 11890000 12100000 26160000 26430000 26170000 17370000 16630000 17020000 7155000 7072000 7188000 5757000 5986000 6176000 7936000 7907000 8261000 23450000 23790000 23400000 18010000 17360000 18200000 14320000 14510000 14010000 59620000 58710000 59140000 58250000 56860000 56460000 55590000 56010000 56180000 LPC(18:1) 11990000 11810000 12010000 17170000 16590000 17390000 25350000 24560000 25030000 15650000 15790000 15280000 9444000 9956000 9968000 20010000 19530000 19490000 21850000 22310000 21020000 17190000 17260000 17790000 12220000 12630000 12020000 46430000 45690000 46090000 48090000 46150000 47220000 47570000 47470000 46850000 LPC(20:4) 1203000 1196000 1212000 1198000 1170000 1236000 2636000 2450000 2466000 1865000 1894000 2149000 2319000 2211000 2233000 1911000 2038000 1906000 1013000 1138000 1029000 807900 840300 770500 559600 601200 596400 1318000 1139000 1258000 1358000 1269000 1270000 1184000 1271000 1238000 PC(16:0_14:0) 30090000 30020000 30230000 19400000 19350000 19570000 39600000 38060000 38680000 89290000 94120000 92330000 81840000 85320000 84290000 99000000 100300000 97220000 106300000 108600000 104300000 105400000 108400000 107900000 84520000 86580000 84400000 71060000 69410000 71070000 85640000 81750000 82530000 73740000 73610000 72280000 PC(16:0_16:0) 114300000 115500000 115400000 66610000 67830000 69030000 159000000 151600000 152700000 143200000 142900000 140300000 125400000 126700000 126900000 149200000 151200000 148900000 98050000 98990000 96610000 93210000 94070000 94920000 74220000 73970000 73960000 94380000 90670000 94430000 109900000 107000000 109900000 97530000 98800000 97860000 PC(16:0_16:1) 146600000 146200000 150700000 89410000 91090000 91000000 189600000 184600000 187100000 562800000 580000000 565000000 503600000 530700000 521000000 595000000 603000000 584000000 2873000000 2957000000 2887000000 2911000000 2997000000 2997000000 2398000000 2456000000 2378000000 3386000000 3329000000 3394000000 3954000000 3906000000 3966000000 3431000000 3477000000 3389000000 PC(16:0_18:1) 581300000 586200000 587300000 340200000 345700000 350300000 793600000 773200000 777800000 471700000 474800000 469900000 415000000 427400000 428700000 505200000 504700000 506100000 845300000 859300000 829900000 835700000 833900000 842400000 675600000 686000000 668400000 1338000000 1320000000 1345000000 1605000000 1545000000 1588000000 1400000000 1424000000 1372000000 PC(16:0_20:4) 56850000 56380000 57270000 37410000 37720000 37470000 70880000 69550000 70710000 63810000 66140000 64670000 60020000 63790000 62460000 65900000 64580000 64420000 71950000 73970000 71800000 70490000 72890000 73390000 58370000 59060000 56820000 46790000 47400000 48170000 54720000 54230000 55490000 46910000 48220000 46460000 PC(16:1_14:0) 7274000 7563000 7526000 5212000 5234000 5279000 8958000 8732000 8896000 69970000 68800000 67660000 63600000 64840000 65810000 72150000 72240000 72100000 192600000 200000000 193700000 197300000 203400000 201700000 155700000 157000000 158500000 146100000 142200000 147300000 169500000 170100000 167700000 150800000 150600000 144700000 PC(16:1_16:1) 22020000 22410000 21850000 14310000 14340000 14690000 25950000 8577000 8292000 218700000 217400000 215100000 195200000 204700000 201500000 225500000 227500000 221900000 489600000 501100000 490700000 496000000 509000000 507900000 396800000 398400000 393900000 371400000 362300000 368800000 428400000 419500000 420700000 369500000 370700000 357200000 PC(16:1_18:1) 187800000 187700000 191200000 112000000 113700000 114700000 242500000 234300000 237200000 316400000 322000000 315600000 284200000 296900000 294000000 336700000 338500000 331100000 461000000 476200000 464800000 463200000 474500000 475400000 372300000 383400000 370100000 391100000 381700000 391700000 448400000 443600000 447400000 387400000 394000000 382500000 PC(18:0_18:1) 189400000 189800000 191600000 114400000 116300000 115800000 273500000 264800000 265500000 54250000 55800000 54820000 47390000 48840000 49280000 60950000 60950000 59260000 62920000 63590000 61960000 53600000 54990000 55610000 44740000 45760000 44270000 105000000 102200000 105800000 112400000 110400000 113200000 108400000 109800000 106400000 PC(18:0_20:4) 67530000 67740000 68290000 44440000 44450000 45890000 91370000 87690000 87430000 21100000 21730000 21150000 19870000 20270000 20660000 20910000 21850000 21210000 15160000 14870000 15140000 12990000 13530000 13060000 10910000 10440000 11000000 20130000 19980000 20440000 21790000 20330000 21230000 20200000 20190000 20180000 PC(18:1_18:1) 375000000 381400000 379700000 207800000 211200000 214100000 511100000 495100000 491500000 259600000 261900000 258400000 227300000 233500000 233300000 278300000 279100000 277600000 190100000 192400000 187200000 180900000 182500000 183300000 144100000 145700000 144200000 130800000 127000000 131400000 149200000 145100000 147200000 134700000 136300000 132000000 PC(18:1_18:2) 116700000 116400000 118100000 68910000 71620000 71040000 148200000 144400000 144900000 79090000 78370000 77140000 70670000 73440000 73390000 81640000 82600000 81130000 66370000 67710000 65070000 64970000 65760000 65890000 52160000 52710000 52450000 49700000 48100000 49780000 57470000 56200000 56730000 51430000 50080000 48850000 PC(18:1_20:4) 62860000 63910000 65460000 40070000 41560000 41010000 80550000 77800000 79700000 47940000 48760000 47360000 50110000 51700000 50700000 47690000 48590000 48660000 29380000 30320000 29360000 28450000 28620000 27850000 22550000 22260000 21940000 25570000 24350000 25640000 27030000 27430000 27550000 24100000 24130000 23800000 PC(28:0) 1527000 1544000 1564000 958100 915200 961900 1464000 1472000 1429000 10110000 10130000 9886000 9080000 8970000 9291000 10640000 10770000 10540000 12590000 13170000 12910000 13150000 13120000 13370000 10300000 10190000 10210000 8386000 8204000 8434000 10030000 9689000 9914000 8948000 8694000 8763000 PC(30:2) 240700 235100 282500 165100 231400 178600 354200 353100 337700 7250000 7232000 7399000 6768000 7156000 7072000 7630000 7467000 7444000 17340000 17180000 16850000 17360000 18080000 18000000 14320000 14540000 14150000 10960000 10420000 10710000 12570000 12020000 12250000 11000000 11340000 10980000 PC(34:0) 25890000 25560000 26290000 15400000 15720000 15770000 36600000 35610000 35650000 7605000 7966000 7694000 7038000 6963000 7231000 8554000 8400000 8614000 6875000 6965000 6863000 5996000 6057000 6033000 5105000 5302000 5128000 10320000 9976000 10720000 11210000 11360000 11240000 10720000 10800000 10730000 PC(36:5) 2419000 3172000 3838000 1111000 1468000 2491000 2895000 4589000 2372000 14210000 14280000 14150000 15670000 15610000 16500000 13830000 14190000 13840000 12090000 12410000 12290000 11680000 11920000 11440000 9056000 8582000 6263000 7341000 7326000 7240000 8854000 8343000 8266000 7464000 7067000 6930000 PC(38:2) 12710000 12910000 13130000 7753000 7852000 8048000 18060000 17390000 17160000 10620000 10910000 11020000 9740000 10120000 9608000 11540000 11660000 11630000 9102000 9551000 9313000 8452000 8521000 8742000 6916000 7195000 6786000 7342000 7534000 7244000 7944000 7587000 7981000 7710000 7666000 7432000 PC(40:6) 12460000 12510000 12370000 7666000 7578000 7659000 15500000 15010000 15060000 7589000 7642000 7878000 8103000 8463000 8826000 7679000 7849000 7683000 3421000 3644000 3103000 2902000 2974000 3136000 2552000 2706000 2599000 3428000 3086000 3152000 3411000 3262000 3176000 3137000 3021000 3215000 PE(16:0_16:1) 1306000 1365000 1321000 961000 1001000 973800 1460000 1448000 1431000 13270000 13840000 13880000 11750000 12660000 12360000 13810000 13860000 13700000 164700000 167700000 165500000 174100000 174900000 179200000 140700000 146300000 140500000 211400000 206300000 212100000 253900000 247500000 250800000 222900000 221700000 217700000 PE(16:0_18:1) 9007000 8917000 8859000 4379000 4807000 4482000 12520000 12280000 12330000 12730000 12710000 12250000 10960000 11090000 10990000 12690000 13200000 12980000 54920000 54970000 53440000 54880000 55260000 55740000 44010000 44380000 43270000 95560000 90730000 96740000 115400000 112400000 114100000 99620000 102000000 101400000 PE(16:0_20:5) 454700 313200 372100 204800 273000 238800 513300 514700 497900 1068000 1013000 1022000 893400 922600 970600 958900 1036000 1007000 3950000 4000000 3951000 4137000 3944000 4022000 3291000 3186000 3350000 3158000 3116000 3247000 3649000 3797000 3447000 3291000 3228000 3011000 PE(16:0_22:5) 7797000 7719000 7786000 4133000 4133000 4168000 10170000 10290000 9773000 7081000 7137000 7060000 6594000 6997000 6835000 6576000 6751000 6287000 12430000 12810000 12580000 13060000 13330000 13880000 10150000 10490000 10620000 7634000 7033000 7495000 8827000 8605000 8843000 7310000 7674000 7153000 PE(16:0p_16:1) 268100 198200 596300 45880 38530 80210 741900 659100 202400 2427000 2033000 2306000 1745000 1687000 1594000 2169000 2288000 2331000 71810000 71270000 68870000 75450000 76390000 72820000 58490000 63570000 59250000 114800000 111300000 112500000 134100000 129400000 127400000 119500000 117100000 117500000 PE(16:0p_18:1) 7169000 7154000 7416000 4210000 4279000 4125000 9793000 9426000 9760000 6474000 6676000 6332000 5372000 5346000 5333000 6781000 6636000 6478000 30860000 31650000 30300000 31790000 31940000 33140000 26100000 26380000 25320000 45680000 43820000 44900000 52790000 51440000 50810000 48200000 49140000 46190000 PE(16:0p_20:4) 17810000 17710000 18470000 9681000 10220000 10350000 24050000 23850000 23560000 17730000 17160000 17900000 14190000 14730000 15030000 17200000 16850000 17240000 19660000 20120000 18720000 19670000 20090000 20110000 15280000 16200000 15310000 7972000 7686000 7928000 8591000 8339000 8555000 7583000 7622000 7834000 PE(16:1_14:0) 0 0 0 16720 0 17070 0 0 0 780400 788300 820800 708800 741000 693800 808100 831800 856100 5311000 5486000 5686000 5795000 5926000 5818000 4457000 4541000 4453000 4606000 4476000 4736000 5473000 5624000 5415000 4964000 5189000 4686000 PE(16:1_16:1) 14220 16370 31320 1 16370 28480 72230 17650 1 3488000 3610000 3603000 3162000 3284000 3206000 3481000 3472000 3467000 31840000 33790000 32340000 33220000 34400000 33540000 27090000 26630000 26840000 31440000 30010000 31230000 35860000 35400000 34940000 31910000 31480000 30690000 PE(16:1_18:1) 1153000 896200 977900 669200 652000 546200 1523000 1358000 1553000 7037000 7689000 8221000 6473000 6671000 6976000 7695000 7864000 7273000 37130000 37300000 36700000 37850000 39010000 38580000 30660000 31940000 30640000 41470000 41430000 42090000 50110000 48760000 50020000 43720000 42330000 43290000 PE(18:0_20:4) 18070000 17850000 19180000 10030000 10090000 10240000 25490000 24490000 23860000 11110000 10890000 11300000 9838000 10030000 9476000 10740000 11040000 10930000 15070000 15310000 15870000 16320000 15600000 16090000 12230000 12310000 12180000 22360000 21770000 22330000 27010000 26600000 27290000 23440000 23150000 22740000 PE(18:0p_18:1) 3004000 3086000 3186000 1373000 1534000 1505000 4477000 4295000 4635000 2645000 2543000 2468000 1983000 2028000 1989000 2574000 2712000 2561000 5565000 5657000 5452000 5727000 5711000 5632000 4382000 4608000 4445000 6378000 6203000 6241000 7300000 7270000 7469000 6790000 6876000 6636000 PE(18:0p_20:4) 17720000 18020000 18690000 9844000 9395000 8788000 25650000 24760000 25260000 11870000 11540000 10990000 9546000 9888000 9433000 11330000 11310000 10370000 6593000 6204000 5924000 6791000 6656000 6713000 5101000 5352000 4831000 2240000 2102000 2422000 2724000 2335000 2582000 2463000 2513000 2206000 PE(18:1_18:1) 18810000 18980000 19080000 9630000 9926000 9955000 17570000 25770000 24340000 12940000 12750000 12640000 10680000 11150000 11230000 12720000 12850000 12760000 16750000 16330000 16200000 16400000 16200000 16460000 13180000 12930000 12650000 16400000 15940000 16740000 19550000 18740000 19250000 17010000 14720000 16910000 PE(18:1p_16:1) 133800 44940 39670 177100 72920 198700 74520 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55830000 81000000 76650000 76870000 59340000 55740000 58000000 13240000 12640000 12960000 10320000 10120000 10320000 15650000 16540000 15940000 TG(16:1_16:1_22:6) 28700000 28480000 29530000 46860000 45290000 44720000 31250000 31310000 30680000 5954000 5004000 6229000 4718000 4604000 4679000 7432000 7724000 7655000 TG(16:1_18:1_18:1) 38970000 38820000 39950000 24250000 24450000 23830000 32080000 30580000 31030000 984300000 950800000 971100000 815600000 805200000 766200000 923900000 917400000 922500000 3163000000 3089000000 3229000000 4347000000 4271000000 4149000000 3315000000 3233000000 3270000000 1069000000 1043000000 1088000000 833600000 844000000 841100000 1285000000 1266000000 1284000000 135300000 126400000 113600000 TG(16:1_18:1_18:2) 220800000 217800000 229800000 189100000 193100000 186900000 205600000 212000000 206800000 822700000 817000000 839700000 1159000000 1115000000 1111000000 894200000 879700000 862700000 183700000 183800000 186800000 151400000 149500000 149600000 219900000 224000000 225400000 32390000 34070000 33110000 TG(16:1_18:1_20:4) 94330000 90250000 93030000 80110000 79490000 76700000 85100000 89090000 82250000 35770000 36960000 37680000 60430000 56580000 57040000 39690000 40790000 33560000 TG(16:1_18:1_22:1) 16630000 16270000 16450000 12230000 12210000 12320000 19320000 19520000 19730000 TG(16:1_18:1_22:5) 51210000 50810000 52830000 79150000 76100000 77280000 57520000 52760000 54270000 TG(16:1_18:1_22:6) 16050000 15250000 15370000 14550000 13900000 13370000 14700000 14450000 14540000 8835000 8015000 8094000 11780000 11600000 11480000 9371000 9331000 9483000 TG(16:1_18:1_24:1) 13760000 13370000 14310000 10690000 10760000 10260000 12120000 12190000 12890000 30640000 31130000 32340000 49130000 46850000 46780000 31280000 30580000 30020000 TG(16:1_6:0_16:1) 199300000 194400000 198700000 285100000 285300000 271600000 214900000 205700000 209300000 40050000 41410000 42760000 32340000 34200000 33530000 49580000 53780000 51300000 12340000 13400000 10230000 TG(16:1_8:0_16:1) 63370000 59290000 59550000 98320000 87540000 93490000 70890000 71110000 67360000 7004000 7001000 6903000 TG(18:0_16:0_16:0) 10750000 10350000 11140000 7123000 7214000 7270000 6587000 6166000 6412000 12080000 13600000 12870000 9413000 10370000 10630000 12510000 12360000 12060000 74430000 69050000 76700000 104100000 106100000 108200000 68040000 70390000 71410000 54580000 53020000 56940000 41180000 41640000 41880000 42490000 44660000 42520000 4648000 4616000 4475000 TG(18:0_16:0_18:0) 7862000 7587000 8181000 10430000 10040000 9810000 7066000 6703000 6658000 TG(18:0_16:0_18:1) 42340000 41510000 41450000 20010000 20270000 20930000 36620000 34650000 36760000 70640000 70140000 73450000 46400000 49380000 48850000 58560000 61990000 57960000 251300000 252400000 259800000 377500000 355000000 361600000 254900000 251800000 256600000 148400000 145800000 157900000 114200000 117200000 106700000 170400000 157800000 173000000 9887000 9095000 9329000 TG(18:0_16:1_16:1) 89240000 93430000 89250000 TG(18:0_18:0_18:1) 8273000 8926000 8582000 4023000 4321000 4541000 4464000 4504000 4557000 6073000 6657000 6258000 6044000 5213000 5875000 6011000 6629000 7260000 TG(18:0_18:1_18:1) 56030000 55140000 55520000 27040000 26640000 27380000 54060000 53560000 54160000 125100000 124300000 128200000 101700000 98580000 99000000 118000000 125900000 116400000 11190000 11360000 10660000 TG(18:0_18:1_20:4) 8885000 8805000 8774000 3770000 4018000 3602000 6563000 6345000 6600000 TG(18:1_18:1_18:1) 7011000 7317000 5818000 122800000 123700000 124700000 73120000 75380000 76240000 68490000 65400000 67360000 478700000 472200000 483700000 384500000 378700000 371000000 439300000 445300000 450300000 792000000 787100000 817700000 1110000000 1083000000 1085000000 805600000 794700000 784200000 200200000 195800000 200500000 155700000 156600000 156800000 243400000 243400000 247400000 119900000 115600000 115800000 TG(18:1_18:1_18:2) 27350000 27760000 28720000 15770000 15920000 15460000 22310000 20660000 22040000 176900000 171400000 173100000 148500000 148300000 146700000 163800000 169900000 164100000 87250000 201400000 349000000 258600000 170100000 369300000 302900000 134600000 203500000 102200000 101900000 106400000 82930000 83580000 82290000 122300000 123700000 124200000 14750000 21630000 13860000 TG(18:1_18:1_20:4) 77840000 75620000 76990000 65320000 63920000 60420000 71520000 68990000 70130000 TG(18:1_18:1_22:5) 27620000 26860000 27850000 24620000 24780000 23220000 25960000 26360000 26840000 TG(20:0_16:0_18:1) 24550000 25620000 24320000 35440000 35450000 33650000 21220000 21040000 22650000 10020000 9645000 10570000 7403000 7434000 7649000 10670000 10450000 10600000 TG(20:1_18:1_18:1) 50100000 49620000 50840000 38380000 38880000 36690000 44300000 44720000 42910000 80360000 79190000 79380000 117100000 115500000 111200000 80350000 79270000 79550000 TG(26:0_16:0_16:1) 7980000 7962000 7784000 11180000 10780000 11240000 7187000 7027000 7492000 TG(26:1_16:0_16:1) 27800000 28250000 29690000 46110000 37390000 42800000 27240000 27950000 24230000 7383000 6964000 7278000 4924000 5120000 5275000 7644000 8101000 7890000 TG(26:1_16:0_18:1) 8426000 8667000 8483000 12270000 12270000 11630000 7777000 7764000 7456000 TG(26:1_16:1_18:1) 12450000 12410000 13100000 19710000 19140000 18930000 12180000 11900000 12220000 TG(4:0_12:0_16:1) 13220000 12680000 13140000 10480000 10110000 10580000 16700000 16880000 16920000 TG(4:0_14:0_14:0) 3438000 3244000 3768000 4863000 4845000 4513000 3730000 3681000 3658000 6106000 6038000 6504000 5418000 5065000 5081000 8477000 9186000 8863000 TG(4:0_14:0_14:1) 12410000 12150000 12440000 18130000 16890000 17460000 13480000 13590000 13110000 TG(4:0_14:0_16:0) 238500 317600 333500 293400 299200 329200 329600 250100 319400 374700 397800 322600 322300 318200 252100 255300 235400 240600 505300 541000 462400 466800 461700 418900 375000 473700 417200 3943000 3961000 4079000 4242000 4054000 4025000 3419000 3354000 3276000 52460000 51920000 53280000 79270000 72960000 71990000 62010000 57750000 57190000 112400000 109100000 113700000 92000000 93030000 92940000 154900000 153900000 156100000 TG(4:0_14:0_16:1) 167900000 164200000 171900000 261400000 242800000 243200000 194200000 195200000 184600000 224200000 217400000 223300000 180400000 182900000 177000000 297100000 295100000 298000000 TG(4:0_14:1_16:0) 0 0 0 16880 0 0241 0 0 0 0 0 0137 0 0 0 0 0 0 760000 860200 810900 756200 703700 782300 626000 726400 661800 9965000 9985000 10090000 10920000 10930000 10280000 9628000 9313000 9049000 TG(4:0_14:1_16:1) 22660000 21970000 24140000 33280000 32280000 31800000 25330000 23470000 23410000 18740000 18200000 18700000 14800000 15310000 15050000 23510000 23350000 23430000 TG(4:0_16:0_16:0) 369400 336300 317400 356600 356700 360100 347100 301600 296000 487100 443800 505800 304200 329200 318500 303800 327100 315700 527100 455900 492300 474400 450800 374700 497800 407900 411400 4363000 4246000 4253000 4180000 4083000 4132000 3542000 3469000 3544000 26330000 27650000 28020000 40750000 40150000 42320000 32460000 30560000 31560000 46190000 46490000 48280000 41100000 39160000 42660000 67770000 69360000 72910000 TG(4:0_16:0_16:1) 0 0 9494 0 23020 0 0 0 0 21810 30120 20920 0 0 0 20830 23060 0 2738000 2495000 2786000 2338000 2238000 2769000 2251000 2465000 2065000 41120000 38040000 39580000 40930000 39290000 39240000 34040000 33810000 32390000 8181000 8224000 8345000 6363000 8063000 7649000 8235000 8283000 7994000 947200000 946400000 902000000 1381000000 1347000000 1328000000 1046000000 1004000000 1019000000 1299000000 1293000000 1356000000 1154000000 1096000000 1097000000 1852000000 1818000000 1833000000 TG(4:0_16:0_18:1) 431500000 430700000 446000000 337000000 351100000 355200000 551700000 581600000 555100000 TG(4:0_16:1_16:1) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 973600 908100 922600 878100 883600 777900 826200 775300 800500 5956000 7477000 5955000 7953000 7575000 7593000 7053000 5834000 6516000 2474000 2512000 2548000 2502000 2472000 2459000 2721000 2636000 2577000 162100000 161200000 168500000 243800000 233800000 231200000 180200000 179800000 175100000 137400000 137800000 139800000 112800000 110000000 112300000 179200000 184000000 177000000 TG(4:0_16:1_18:2) 9827000 9011000 9620000 14380000 13890000 13830000 10520000 10880000 10510000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Cer(d18:1_16:0) Cer(d18:1_24:0) Cer(d18:1_24:1) ChE() Co(Q10) DG(16:0_16:1) DG(16:0_18:1) DG(16:1_14:0) DG(16:1_14:1) DG(16:1_16:1) DG(16:1_18:1) DG(18:1_18:1) LPC(14:0) LPC(16:0) LPC(16:1) LPC(18:0) LPC(18:1) LPC(20:4) PC(16:0_14:0) PC(16:0_16:0) PC(16:0_16:1) PC(16:0_18:1) PC(16:0_20:4) PC(16:1_14:0) PC(16:1_16:1) PC(16:1_18:1) PC(18:0_18:1) PC(18:0_20:4) PC(18:1_18:1) PC(18:1_18:2) PC(18:1_20:4) PC(28:0) PC(30:2) PC(34:0) PC(36:5) PC(38:2) PC(40:6) PE(16:0_16:1) PE(16:0_18:1) PE(16:0_20:5) PE(16:0_22:5) PE(16:0p_16:1) PE(16:0p_18:1) PE(16:0p_20:4) PE(16:1_14:0) PE(16:1_16:1) PE(16:1_18:1) PE(18:0_20:4) PE(18:0p_18:1) PE(18:0p_20:4) PE(18:1_18:1) PE(18:1p_16:1) PE(18:1p_18:1) PI(16:0_16:1) PI(16:0_18:1) PI(16:0_20:4) PI(16:1_18:1) PI(18:0_20:4) PI(18:1_20:4) PS(16:0_16:1) PS(18:0_16:1) PS(18:0_18:1) SM(d18:1_18:3) SM(d32:1) SM(d34:0) SM(d34:1) SM(d34:2) SM(d36:1) SM(d40:1) SM(d42:1) SM(d42:2) SM(d42:3) TG(16:0_10:0_16:1) TG(16:0_10:1_16:1) TG(16:0_10:2_16:1) TG(16:0_12:0_14:0) TG(16:0_12:2_16:1) TG(16:0_14:0_14:0) TG(16:0_14:0_14:1) TG(16:0_14:0_16:0) TG(16:0_14:0_16:1) TG(16:0_14:0_18:1) TG(16:0_14:0_22:6) TG(16:0_14:1_16:1) TG(16:0_14:1_20:5) TG(16:0_14:1_22:6) TG(16:0_16:0_16:0) TG(16:0_16:0_16:1) TG(16:0_16:0_18:1) TG(16:0_16:0_22:6) TG(16:0_16:1_16:1) TG(16:0_16:1_18:1) TG(16:0_16:1_18:3) TG(16:0_16:1_20:4) TG(16:0_16:1_20:5) TG(16:0_16:1_22:5) TG(16:0_16:1_22:6) TG(16:0_16:1_24:0) TG(16:0_16:1_24:1) TG(16:0_18:1_18:1) TG(16:0_18:1_18:2) TG(16:0_18:1_20:1) TG(16:0_18:1_20:4) TG(16:0_18:1_22:1) TG(16:0_18:1_22:4) TG(16:0_18:1_22:5) TG(16:0_18:1_22:6) TG(16:0_6:0_16:1) TG(16:0_8:0_14:0) TG(16:0_8:0_16:0) TG(16:0_8:0_16:1) TG(16:1_10:1_14:1) TG(16:1_10:1_16:1) TG(16:1_12:0_14:0) TG(16:1_12:2_16:1) TG(16:1_14:0_14:0) TG(16:1_14:0_14:1) TG(16:1_14:0_20:4) TG(16:1_14:1_14:1) TG(16:1_14:1_16:1) TG(16:1_14:1_18:2) TG(16:1_14:1_18:3) TG(16:1_14:1_20:4) TG(16:1_14:2_16:1) TG(16:1_16:1_16:1) TG(16:1_16:1_18:1) TG(16:1_16:1_18:2) TG(16:1_16:1_18:3) TG(16:1_16:1_20:1) TG(16:1_16:1_20:3) TG(16:1_16:1_20:4) TG(16:1_16:1_20:5) TG(16:1_16:1_22:5) TG(16:1_16:1_22:6) TG(16:1_18:1_18:1) TG(16:1_18:1_18:2) TG(16:1_18:1_20:4) TG(16:1_18:1_22:1) TG(16:1_18:1_22:5) TG(16:1_18:1_22:6) TG(16:1_18:1_24:1) TG(16:1_6:0_16:1) TG(16:1_8:0_16:1) TG(18:0_16:0_16:0) TG(18:0_16:0_18:0) TG(18:0_16:0_18:1) TG(18:0_16:1_16:1) TG(18:0_18:0_18:1) TG(18:0_18:1_18:1) TG(18:0_18:1_20:4) TG(18:1_18:1_18:1) TG(18:1_18:1_18:2) TG(18:1_18:1_20:4) TG(18:1_18:1_22:5) TG(20:0_16:0_18:1) TG(20:1_18:1_18:1) TG(26:0_16:0_16:1) TG(26:1_16:0_16:1) TG(26:1_16:0_18:1) TG(26:1_16:1_18:1) TG(4:0_12:0_16:1) TG(4:0_14:0_14:0) TG(4:0_14:0_14:1) TG(4:0_14:0_16:0) TG(4:0_14:0_16:1) TG(4:0_14:1_16:0) TG(4:0_14:1_16:1) TG(4:0_16:0_16:0) TG(4:0_16:0_16:1) TG(4:0_16:0_18:1) TG(4:0_16:1_16:1) TG(4:0_16:1_18:2) METABOLITES_END #END