#METABOLOMICS WORKBENCH engelmab_20231004_003346 DATATRACK_ID:4371 STUDY_ID:ST002922 ANALYSIS_ID:AN004792 PROJECT_ID:PR001814 VERSION 1 CREATED_ON October 11, 2023, 12:04 am #PROJECT PR:PROJECT_TITLE MINCH causes metabolic rewiring towards lipid accumulation and adipogenesis PR:PROJECT_SUMMARY Humans are ubiquitously exposed to plastic additives, including plasticizers. PR:PROJECT_SUMMARY There is growing evidence that exposure to certain plasticizers is associated PR:PROJECT_SUMMARY with the development of obesity due to their metabolism-disrupting properties. PR:PROJECT_SUMMARY Following the restriction of the use of the phthalate plasticizer PR:PROJECT_SUMMARY di-(2-ethylhexyl) phthalate (DEHP) due to its adverse health effects, it has PR:PROJECT_SUMMARY been replaced by new substitutes such as the plasticizer PR:PROJECT_SUMMARY diisononylcyclohexane-1,2-dicarboxylate (DINCH). Despite recent studies PR:PROJECT_SUMMARY suggesting that the primary metabolite monoisononylcyclohexane-1,2-dicarboxylic PR:PROJECT_SUMMARY acid ester (MINCH) promotes human adipocyte differentiation, the adipogenic PR:PROJECT_SUMMARY properties of MINCH remain controversial. Because the metabolome largely PR:PROJECT_SUMMARY reflects the molecular phenotype and is sensitive to perturbation by external PR:PROJECT_SUMMARY factors, we used targeted metabolomics to investigate the effects of DINCH and PR:PROJECT_SUMMARY MINCH on key metabolic pathways of adipocytes. Analysis of central carbon PR:PROJECT_SUMMARY metabolism is particularly relevant because it provides cellular energy through PR:PROJECT_SUMMARY the degradation of organic compounds and metabolic precursors for anabolic PR:PROJECT_SUMMARY functions that are critical for adipocyte function, such as de novo lipogenesis. PR:PROJECT_SUMMARY The project consists of three main studies: analysis of the effects of DINCH and PR:PROJECT_SUMMARY MINCH on central carbon metabolism of human SGSB cells, analysis of the insulin PR:PROJECT_SUMMARY response of DINCH- and MINCH-treated SGSB cells, and analysis of the effects of PR:PROJECT_SUMMARY DINCH and MINCH on central carbon metabolism of human SGSB cells in the presence PR:PROJECT_SUMMARY of the PPARG inhibitor GW9662. PR:INSTITUTE Helmholtz Centre for Environmental Research PR:DEPARTMENT Molecular Systems Biology PR:LAST_NAME Engelmann PR:FIRST_NAME Beatrice PR:ADDRESS Permoserstraße 15, Leipzipg, Saxony, 03418, Germany PR:EMAIL beatrice.engelmann@ufz.de PR:PHONE 00493412351099 #STUDY ST:STUDY_TITLE Effects of DINCH and MINCH on adipocyte metabolism of human SGBS cells. ST:STUDY_SUMMARY In the first part of the project, we investigated the effects of DINCH and MINCH ST:STUDY_SUMMARY on central carbon metabolism. For this purpose, the human SGBS preadipocyte cell ST:STUDY_SUMMARY line (Wabitsch et al., 2001) was exposed to DINCH and MINCH at concentrations ST:STUDY_SUMMARY ranging from 10 nM to 10 µM and compared with cells differentiated with ST:STUDY_SUMMARY rosiglitazone (adipogenic reference) and without rosiglitazone (undifferentiated ST:STUDY_SUMMARY control). Analysis of central carbon metabolism showed that MINCH, similar to ST:STUDY_SUMMARY rosiglitazone, induces lipid accumulation mainly through PPARG-mediated ST:STUDY_SUMMARY upregulation of the pyruvate cycle. In addition, increased lactate production ST:STUDY_SUMMARY suggests altered glucose homeostasis induced by MINCH-treatment. Our results ST:STUDY_SUMMARY suggest that MINCH could potentially lead to a weight-promoting effect, as ST:STUDY_SUMMARY observed with thiazolidinediones, because of the similarity of the observed ST:STUDY_SUMMARY changes to the effects of the thiazolidinedione rosiglitazone. ST:INSTITUTE Helmholtz Centre for Environmental Research ST:DEPARTMENT Molecular Systems Biology ST:LAST_NAME Engelmann ST:FIRST_NAME Beatrice ST:ADDRESS Permoserstraße 15, Leipzipg, Saxony, 03418, Germany ST:EMAIL beatrice.engelmann@ufz.de ST:PHONE 00493412351099 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male #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 - Ctrl_1 Treatment:Control Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - Ctrl_2 Treatment:Control Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - Ctrl_3 Treatment:Control Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - Ctrl_4 Treatment:Control Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_100nM_1 Treatment:DINCH 100nM Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_100nM_2 Treatment:DINCH 100nM Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_100nM_3 Treatment:DINCH 100nM Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_100nM_4 Treatment:DINCH 100nM Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10nM_1 Treatment:DINCH 10nM Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10nM_2 Treatment:DINCH 10nM Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10nM_3 Treatment:DINCH 10nM Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10nM_4 Treatment:DINCH 10nM Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10uM_1 Treatment:DINCH 10µM Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10uM_2 Treatment:DINCH 10µM Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10uM_3 Treatment:DINCH 10µM Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10uM_4 Treatment:DINCH 10µM Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_1uM_1 Treatment:DINCH 1µM Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_1uM_2 Treatment:DINCH 1µM Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_1uM_3 Treatment:DINCH 1µM Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_1uM_4 Treatment:DINCH 1µM Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_100nM_1 Treatment:MINCH 100nM Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_100nM_2 Treatment:MINCH 100nM Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_100nM_3 Treatment:MINCH 100nM Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_100nM_4 Treatment:MINCH 100nM Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10nM_1 Treatment:MINCH 10nM Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10nM_2 Treatment:MINCH 10nM Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10nM_3 Treatment:MINCH 10nM Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10nM_4 Treatment:MINCH 10nM Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10uM_1 Treatment:MINCH 10µM Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10uM_2 Treatment:MINCH 10µM Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10uM_3 Treatment:MINCH 10µM Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10uM_4 Treatment:MINCH 10µM Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_1uM_1 Treatment:MINCH 1µM Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_1uM_2 Treatment:MINCH 1µM Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_1uM_3 Treatment:MINCH 1µM Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_1uM_4 Treatment:MINCH 1µM Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - Rosi_1 Treatment:Rosiglitazone Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - Rosi_2 Treatment:Rosiglitazone Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - Rosi_3 Treatment:Rosiglitazone Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - Rosi_4 Treatment:Rosiglitazone Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=2221215_SGBS_DINCH_MINCH_GW_intracellular_CG.wiff SUBJECT_SAMPLE_FACTORS - Ctrl_SN1 Treatment:Control supernatant Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - Ctrl_SN2 Treatment:Control supernatant Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - Ctrl_SN3 Treatment:Control supernatant Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - Ctrl_SN4 Treatment:Control supernatant Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_100nM_SN1 Treatment:DINCH 100nM supernatant Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_100nM_SN2 Treatment:DINCH 100nM supernatant Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_100nM_SN3 Treatment:DINCH 100nM supernatant Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_100nM_SN4 Treatment:DINCH 100nM supernatant Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10nM_SN1 Treatment:DINCH 10nM supernatant Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10nM_SN2 Treatment:DINCH 10nM supernatant Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10nM_SN3 Treatment:DINCH 10nM supernatant Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10nM_SN4 Treatment:DINCH 10nM supernatant Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10uM_SN1 Treatment:DINCH 10µM supernatant Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10uM_SN2 Treatment:DINCH 10µM supernatant Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10uM_SN3 Treatment:DINCH 10µM supernatant Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_10uM_SN4 Treatment:DINCH 10µM supernatant Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_1uM_SN1 Treatment:DINCH 1µM supernatant Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_1uM_SN2 Treatment:DINCH 1µM supernatant Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_1uM_SN3 Treatment:DINCH 1µM supernatant Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - DINCH_1uM_SN4 Treatment:DINCH 1µM supernatant Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_100nM_SN1 Treatment:MINCH 100nM supernatant Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_100nM_SN2 Treatment:MINCH 100nM supernatant Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_100nM_SN3 Treatment:MINCH 100nM supernatant Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_100nM_SN4 Treatment:MINCH 100nM supernatant Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10nM_SN1 Treatment:MINCH 10nM supernatant Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10nM_SN2 Treatment:MINCH 10nM supernatant Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10nM_SN3 Treatment:MINCH 10nM supernatant Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10nM_SN4 Treatment:MINCH 10nM supernatant Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10uM_SN1 Treatment:MINCH 10µM supernatant Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10uM_SN2 Treatment:MINCH 10µM supernatant Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10uM_SN3 Treatment:MINCH 10µM supernatant Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10uM_SN4 Treatment:MINCH 10µM supernatant Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_1uM_SN1 Treatment:MINCH 1µM supernatant Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_1uM_SN2 Treatment:MINCH 1µM supernatant Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_1uM_SN3 Treatment:MINCH 1µM supernatant Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_1uM_SN4 Treatment:MINCH 1µM supernatant Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_GW_SN1 Treatment:MINCH GW supernatant Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_GW_SN2 Treatment:MINCH GW supernatant Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_GW_SN3 Treatment:MINCH GW supernatant Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_GW_SN4 Treatment:MINCH GW supernatant Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - Rosi_SN1 Treatment:Rosiglitazone supernatant Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - Rosi_SN2 Treatment:Rosiglitazone supernatant Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - Rosi_SN3 Treatment:Rosiglitazone supernatant Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - Rosi_SN4 Treatment:Rosiglitazone supernatant Replicate=4; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10uM_blank1 Treatment:Medium blank supernatant Replicate=1; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10uM_blank2 Treatment:Medium blank supernatant Replicate=2; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff SUBJECT_SAMPLE_FACTORS - MINCH_10uM_blank3 Treatment:Medium blank supernatant Replicate=3; Species=Homo sapiens; RAW_FILE_NAME=221216_SGBS_DINCH_MINCH_GW_SN_CG.wiff #COLLECTION CO:COLLECTION_SUMMARY The SGBS cells were obtained from Prof. Martin Wabitsch laboratory at the CO:COLLECTION_SUMMARY University Clinic Ulm. SGBS preadipocytes were differentiated according to the CO:COLLECTION_SUMMARY standard protocol described previously (Wabitsch et al., 2001). CO:SAMPLE_TYPE Adipose tissue CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY SGSB preadipocytes were maintained at 37°C and 5% CO2 in 95% humidity. To TR:TREATMENT_SUMMARY investigate the effects of the plasticizer DINCH and its primary metabolite TR:TREATMENT_SUMMARY MINCH on adipocyte differentiation, SGBS preadipocytes were treated for 12 days TR:TREATMENT_SUMMARY with differentiation media without the PPARG agonist rosiglitazone supplemented TR:TREATMENT_SUMMARY with DINCH or MINCH (10 nM, 100 nM, 1 µM, and 10 µM). To obtain an TR:TREATMENT_SUMMARY adipogenesis reference, SGBS cells were differentiated in the presence of TR:TREATMENT_SUMMARY rosiglitazone; to obtain an untreated control, they were differentiated in the TR:TREATMENT_SUMMARY absence of rosiglitazone. A final concentration of 0.01% (v/v) MeOH and 0.02% TR:TREATMENT_SUMMARY (v/v) DMSO was added to all conditioned differentiation media. Continuous TR:TREATMENT_SUMMARY exposure was mimicked by replacing the cell culture medium every second day. TR:TREATMENT_SUMMARY Each treatment was performed in four biological replicates (n=4). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Extraction of intracellular and extracellular metabolites was performed by a SP:SAMPLEPREP_SUMMARY 1:1:1 methanol:water:chloroform extraction protocol. For the extraction of SP:SAMPLEPREP_SUMMARY intracellular metabolites, the culture medium was removed and the cells were SP:SAMPLEPREP_SUMMARY rinsed twice with 1 ml of 0.9% ice-cold NaCl. The rinsing solution was removed, SP:SAMPLEPREP_SUMMARY and the metabolism of the cells was stopped by adding 400 µL of MeOH (-20 °C) SP:SAMPLEPREP_SUMMARY followed by 400 µL of ice-cold H2O containing 10 µM d6-glutarate. Cells were SP:SAMPLEPREP_SUMMARY collected using a cell lifter and 400 µL of chloroform was added. After shaking SP:SAMPLEPREP_SUMMARY at 1,400 rpm and 4 °C for 20 min, the extraction mixture was centrifuged at SP:SAMPLEPREP_SUMMARY 18,000 g and 4 °C for 5 min. Subsequently, 300 µL volume of the polar upper SP:SAMPLEPREP_SUMMARY phase was collected and evaporated to complete dryness. For the extraction of SP:SAMPLEPREP_SUMMARY extracellular metabolites, 300 µL of the supernatant was extracted by adding SP:SAMPLEPREP_SUMMARY 400 µL MeOH (-20 °C) containing 100 nM MEHP, 100 µL ice-cold H2O containing SP:SAMPLEPREP_SUMMARY 40 µM d6-glutarate, and 400 µL chloroform (-20 °C). Subsequent sample SP:SAMPLEPREP_SUMMARY preparation was identical to the extraction of intracellular metabolites. Note: SP:SAMPLEPREP_SUMMARY After measurement of the samples by LC-MS, the raw AUC values uploaded here were SP:SAMPLEPREP_SUMMARY normalized to the internal standard (d6-glutarate, if applicable) and DNA SP:SAMPLEPREP_SUMMARY content per well (measured by DAPI fluorescence). After normalization, log2 fold SP:SAMPLEPREP_SUMMARY changes were calculated by dividing the normalized peak area from each replicate SP:SAMPLEPREP_SUMMARY of each treatment by the normalized peak area from each control. Insulin data SP:SAMPLEPREP_SUMMARY were not normalized to DAPI because fold changes were calculated by dividing the SP:SAMPLEPREP_SUMMARY intensities of the insulin-stimulated cells by the noninsulin-stimulated cells SP:SAMPLEPREP_SUMMARY from each treatment. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Waters XSelect XP HSS T3 (150 x 2.1mm, 2.5um) CH:SOLVENT_A 10mM TBA, 10mM acetic acid, 5% MeOH, 2% IPA in water CH:SOLVENT_B 100% IPA CH:FLOW_GRADIENT 0-5 min 0% B, 5-9 min 0%- 2% B, 9-9.5 min 2-6% B, 9.5-11.5 min 6% B, 11.5-12 min CH:FLOW_GRADIENT 6-11% B, 12-13.5 min 11% B, 13.5-15.5 min 11-28% B, 15.5-16.5 min 28-53% B, CH:FLOW_GRADIENT 16.5-22.5 53% B, 22.5-23 min 53-0% B, 23-33 min 0% B CH:FLOW_RATE 0-15.5 min 0.4 mL/min, 15.5-16.5 min 0.4-0.15 mL/min, 16.5-23 min 0.15 mL/min, CH:FLOW_RATE 23-27 min 0.15-0.4 mL/min, 27-33 min 0.4 mL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 6500+ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS For identification and quantitation, a scheduled MRM method was used, with MS:MS_COMMENTS specific transitions for every metabolite. Data acquisition and peak integration MS:MS_COMMENTS were performed in Analyst® software (Version 1.7.1). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak AUC MS_METABOLITE_DATA_START Samples Ctrl_1 Ctrl_2 Ctrl_3 Ctrl_4 DINCH_100nM_1 DINCH_100nM_2 DINCH_100nM_3 DINCH_100nM_4 DINCH_10nM_1 DINCH_10nM_2 DINCH_10nM_3 DINCH_10nM_4 DINCH_10uM_1 DINCH_10uM_2 DINCH_10uM_3 DINCH_10uM_4 DINCH_1uM_1 DINCH_1uM_2 DINCH_1uM_3 DINCH_1uM_4 MINCH_100nM_1 MINCH_100nM_2 MINCH_100nM_3 MINCH_100nM_4 MINCH_10nM_1 MINCH_10nM_2 MINCH_10nM_3 MINCH_10nM_4 MINCH_10uM_1 MINCH_10uM_2 MINCH_10uM_3 MINCH_10uM_4 MINCH_1uM_1 MINCH_1uM_2 MINCH_1uM_3 MINCH_1uM_4 Rosi_1 Rosi_2 Rosi_3 Rosi_4 Ctrl_SN1 Ctrl_SN2 Ctrl_SN3 Ctrl_SN4 DINCH_100nM_SN1 DINCH_100nM_SN2 DINCH_100nM_SN3 DINCH_100nM_SN4 DINCH_10nM_SN1 DINCH_10nM_SN2 DINCH_10nM_SN3 DINCH_10nM_SN4 DINCH_10uM_SN1 DINCH_10uM_SN2 DINCH_10uM_SN3 DINCH_10uM_SN4 DINCH_1uM_SN1 DINCH_1uM_SN2 DINCH_1uM_SN3 DINCH_1uM_SN4 MINCH_100nM_SN1 MINCH_100nM_SN2 MINCH_100nM_SN3 MINCH_100nM_SN4 MINCH_10nM_SN1 MINCH_10nM_SN2 MINCH_10nM_SN3 MINCH_10nM_SN4 MINCH_10uM_SN1 MINCH_10uM_SN2 MINCH_10uM_SN3 MINCH_10uM_SN4 MINCH_1uM_SN1 MINCH_1uM_SN2 MINCH_1uM_SN3 MINCH_1uM_SN4 MINCH_GW_SN1 MINCH_GW_SN2 MINCH_GW_SN3 MINCH_GW_SN4 Rosi_SN1 Rosi_SN2 Rosi_SN3 Rosi_SN4 MINCH_10uM_blank1 MINCH_10uM_blank2 MINCH_10uM_blank3 Factors Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:DINCH 100nM Treatment:DINCH 100nM Treatment:DINCH 100nM Treatment:DINCH 100nM Treatment:DINCH 10nM Treatment:DINCH 10nM Treatment:DINCH 10nM Treatment:DINCH 10nM Treatment:DINCH 10µM Treatment:DINCH 10µM Treatment:DINCH 10µM Treatment:DINCH 10µM Treatment:DINCH 1µM Treatment:DINCH 1µM Treatment:DINCH 1µM Treatment:DINCH 1µM Treatment:MINCH 100nM Treatment:MINCH 100nM Treatment:MINCH 100nM Treatment:MINCH 100nM Treatment:MINCH 10nM Treatment:MINCH 10nM Treatment:MINCH 10nM Treatment:MINCH 10nM Treatment:MINCH 10µM Treatment:MINCH 10µM Treatment:MINCH 10µM Treatment:MINCH 10µM Treatment:MINCH 1µM Treatment:MINCH 1µM Treatment:MINCH 1µM Treatment:MINCH 1µM Treatment:Rosiglitazone Treatment:Rosiglitazone Treatment:Rosiglitazone Treatment:Rosiglitazone Treatment:Control supernatant Treatment:Control supernatant Treatment:Control supernatant Treatment:Control supernatant Treatment:DINCH 100nM supernatant Treatment:DINCH 100nM supernatant Treatment:DINCH 100nM supernatant Treatment:DINCH 100nM supernatant Treatment:DINCH 10nM supernatant Treatment:DINCH 10nM supernatant Treatment:DINCH 10nM supernatant Treatment:DINCH 10nM supernatant Treatment:DINCH 10µM supernatant Treatment:DINCH 10µM supernatant Treatment:DINCH 10µM supernatant Treatment:DINCH 10µM supernatant Treatment:DINCH 1µM supernatant Treatment:DINCH 1µM supernatant Treatment:DINCH 1µM supernatant Treatment:DINCH 1µM supernatant Treatment:MINCH 100nM supernatant Treatment:MINCH 100nM supernatant Treatment:MINCH 100nM supernatant Treatment:MINCH 100nM supernatant Treatment:MINCH 10nM supernatant Treatment:MINCH 10nM supernatant Treatment:MINCH 10nM supernatant Treatment:MINCH 10nM supernatant Treatment:MINCH 10µM supernatant Treatment:MINCH 10µM supernatant Treatment:MINCH 10µM supernatant Treatment:MINCH 10µM supernatant Treatment:MINCH 1µM supernatant Treatment:MINCH 1µM supernatant Treatment:MINCH 1µM supernatant Treatment:MINCH 1µM supernatant Treatment:MINCH GW supernatant Treatment:MINCH GW supernatant Treatment:MINCH GW supernatant Treatment:MINCH GW supernatant Treatment:Rosiglitazone supernatant Treatment:Rosiglitazone supernatant Treatment:Rosiglitazone supernatant Treatment:Rosiglitazone supernatant Treatment:Medium blank supernatant Treatment:Medium blank supernatant Treatment:Medium blank supernatant Glucose 6-phosphate 2.13E+05 6.59E+05 1.83E+05 8.00E+05 5.13E+05 5.68E+05 4.23E+05 6.00E+05 4.38E+05 4.15E+05 4.78E+05 4.20E+05 5.27E+05 6.91E+05 4.14E+05 6.79E+05 3.70E+05 6.19E+05 4.64E+05 7.28E+05 3.93E+05 6.21E+05 2.24E+05 6.47E+05 2.85E+05 5.19E+05 3.93E+05 5.45E+05 5.99E+05 7.87E+05 5.87E+05 7.43E+05 3.28E+05 6.26E+05 2.87E+05 7.69E+05 2.50E+06 8.01E+06 2.95E+06 7.61E+06 Citrate 1.24E+07 1.39E+07 1.22E+07 1.42E+07 7.15E+07 3.09E+06 6.67E+07 3.94E+06 5.48E+07 4.15E+06 6.42E+07 2.21E+06 5.92E+07 3.03E+06 4.19E+07 3.63E+06 3.23E+07 3.85E+06 4.69E+07 3.96E+06 3.68E+07 3.36E+06 2.54E+07 3.76E+06 2.53E+07 2.06E+06 4.56E+07 3.40E+06 4.07E+07 4.58E+06 3.39E+07 3.24E+06 2.42E+07 4.17E+06 1.66E+07 5.21E+06 1.11E+07 1.40E+07 1.76E+07 1.14E+07 a-Ketoglutarate 1.20E+06 3.16E+06 1.17E+06 3.78E+06 3.87E+06 3.05E+06 4.30E+06 2.68E+06 3.32E+06 4.49E+05 3.48E+06 2.38E+06 3.99E+06 3.46E+06 3.65E+06 3.52E+06 2.50E+06 3.69E+06 2.51E+06 3.85E+06 2.80E+06 3.94E+06 2.59E+06 4.04E+06 2.36E+06 3.12E+06 2.82E+06 4.01E+06 1.86E+06 2.27E+06 1.81E+06 2.11E+06 1.83E+06 2.52E+06 1.32E+06 3.22E+06 6.97E+05 3.51E+06 9.06E+05 3.50E+06 Succinate 3.76E+05 3.20E+05 3.51E+05 3.41E+05 3.49E+05 2.92E+05 3.30E+05 2.83E+05 3.35E+05 2.98E+05 3.87E+05 2.66E+05 3.40E+05 3.55E+05 3.90E+05 2.85E+05 3.13E+05 3.04E+05 3.41E+05 3.41E+05 3.79E+05 3.52E+05 3.05E+05 3.48E+05 2.74E+05 2.78E+05 3.42E+05 3.46E+05 3.59E+05 2.67E+05 3.12E+05 2.21E+05 3.94E+05 2.63E+05 3.39E+05 2.75E+05 2.67E+05 2.08E+05 3.36E+05 1.97E+05 Glutamate 7.45E+07 4.92E+07 8.35E+07 5.29E+07 8.46E+07 3.58E+07 8.13E+07 3.45E+07 7.91E+07 3.18E+07 7.86E+07 3.02E+07 8.75E+07 5.21E+07 8.46E+07 5.38E+07 6.96E+07 5.06E+07 8.08E+07 5.00E+07 7.90E+07 5.72E+07 7.27E+07 6.02E+07 7.62E+07 4.66E+07 8.58E+07 6.20E+07 8.97E+07 8.56E+07 9.46E+07 8.61E+07 8.19E+07 4.71E+07 6.31E+07 5.57E+07 1.86E+07 1.78E+07 2.46E+07 1.49E+07 2.04E+07 2.23E+07 2.95E+07 1.64E+07 1.05E+07 1.31E+07 1.24E+07 1.27E+07 1.50E+07 1.96E+07 1.65E+07 1.80E+07 1.25E+07 1.81E+07 2.19E+07 1.74E+07 1.07E+07 1.15E+07 1.11E+07 1.46E+07 1.68E+07 2.40E+07 1.77E+07 2.62E+07 2.37E+07 3.18E+07 3.06E+07 4.52E+07 5.16E+06 4.94E+06 5.76E+06 4.66E+06 8.23E+06 6.90E+06 8.71E+06 7.14E+06 6.22E+06 6.05E+06 9.92E+06 8.47E+06 8.35E+05 5.76E+05 9.18E+05 5.41E+05 4.78E+07 4.68E+07 4.72E+07 Aspartate 7.36E+06 1.91E+06 8.25E+06 1.81E+06 3.65E+06 5.87E+05 3.27E+06 6.38E+05 3.08E+06 6.03E+05 3.13E+06 5.35E+05 4.26E+06 9.60E+05 3.59E+06 1.12E+06 3.22E+06 1.06E+06 3.92E+06 1.69E+06 3.16E+06 1.23E+06 2.93E+06 1.35E+06 2.62E+06 9.94E+05 3.31E+06 1.54E+06 9.47E+06 2.84E+06 9.57E+06 2.60E+06 8.36E+06 1.27E+06 6.78E+06 1.53E+06 3.04E+07 6.54E+06 3.77E+07 5.29E+06 8.19E+05 1.47E+06 1.24E+06 1.20E+06 6.00E+05 1.26E+06 8.39E+05 1.34E+06 7.36E+05 1.58E+06 7.86E+05 1.37E+06 6.86E+05 1.59E+06 1.03E+06 1.46E+06 5.48E+05 1.23E+06 6.39E+05 1.37E+06 6.83E+05 1.77E+06 6.79E+05 1.79E+06 9.12E+05 2.26E+06 1.21E+06 2.94E+06 3.81E+05 9.95E+05 4.96E+05 9.72E+05 4.33E+05 9.60E+05 4.72E+05 1.05E+06 3.42E+05 5.06E+05 5.12E+05 6.15E+05 2.83E+05 7.95E+05 2.64E+05 7.31E+05 4.95E+07 4.80E+07 5.03E+07 Lactate 7.29E+06 5.19E+06 7.23E+06 5.25E+06 1.22E+07 6.37E+06 1.09E+07 6.49E+06 9.71E+06 8.41E+06 1.02E+07 6.44E+06 1.41E+07 7.77E+06 8.55E+06 7.27E+06 7.52E+06 6.84E+06 1.31E+07 8.64E+06 1.09E+07 7.95E+06 1.07E+07 9.04E+06 6.66E+06 5.49E+06 8.15E+06 4.50E+06 3.08E+07 2.10E+07 3.02E+07 2.31E+07 1.24E+07 7.59E+06 9.84E+06 7.89E+06 5.63E+07 5.16E+07 6.20E+07 4.16E+07 2.33E+08 2.23E+08 2.25E+08 2.25E+08 2.59E+08 2.43E+08 2.56E+08 2.56E+08 2.48E+08 2.40E+08 2.45E+08 2.32E+08 2.53E+08 2.58E+08 2.45E+08 2.46E+08 2.43E+08 2.38E+08 2.53E+08 2.38E+08 1.95E+08 2.27E+08 2.22E+08 2.27E+08 2.17E+08 2.19E+08 2.16E+08 2.08E+08 5.08E+08 4.92E+08 4.99E+08 4.93E+08 2.78E+08 2.61E+08 2.66E+08 2.79E+08 2.86E+08 2.92E+08 2.87E+08 2.83E+08 6.09E+08 6.14E+08 6.12E+08 6.17E+08 Alanine 2.98E+04 2.51E+04 3.24E+04 2.79E+04 2.75E+04 1.32E+04 2.69E+04 1.32E+04 2.57E+04 1.26E+04 2.57E+04 1.16E+04 2.76E+04 1.66E+04 2.63E+04 1.78E+04 2.40E+04 1.76E+04 2.81E+04 1.98E+04 2.33E+04 1.75E+04 2.26E+04 1.79E+04 2.17E+04 1.55E+04 2.40E+04 1.49E+04 5.82E+04 4.53E+04 5.70E+04 4.66E+04 3.69E+04 2.35E+04 3.45E+04 2.60E+04 8.71E+04 8.41E+04 9.67E+04 7.99E+04 9.39E+04 9.68E+04 9.59E+04 8.68E+04 1.03E+05 1.02E+05 1.08E+05 1.08E+05 9.25E+04 1.13E+05 9.22E+04 9.80E+04 1.02E+05 1.07E+05 1.03E+05 1.08E+05 9.62E+04 1.10E+05 1.02E+05 1.05E+05 7.59E+04 9.47E+04 8.30E+04 9.52E+04 8.39E+04 8.96E+04 8.59E+04 9.14E+04 1.76E+05 1.90E+05 1.74E+05 1.91E+05 1.10E+05 1.05E+05 9.80E+04 1.11E+05 1.12E+05 1.22E+05 1.26E+05 1.11E+05 2.42E+05 2.86E+05 2.60E+05 2.82E+05 5.16E+04 4.97E+04 5.31E+04 Phosphoenolpyruvate 4.89E+05 2.16E+05 4.77E+05 2.53E+05 4.61E+05 1.71E+05 4.30E+05 1.83E+05 2.93E+05 1.48E+05 3.26E+05 1.45E+05 4.14E+05 1.57E+05 3.78E+05 1.53E+05 3.00E+05 1.53E+05 3.32E+05 2.33E+05 3.08E+05 1.44E+05 2.64E+05 1.34E+05 2.09E+05 1.31E+05 2.98E+05 1.08E+05 1.27E+06 7.13E+05 1.17E+06 6.44E+05 6.67E+05 2.82E+05 5.05E+05 3.91E+05 4.28E+06 6.81E+06 4.92E+06 6.34E+06 Pyruvate 8.58E+04 8.19E+04 7.60E+04 9.09E+04 9.91E+04 7.41E+04 1.03E+05 8.06E+04 8.24E+04 7.61E+04 7.26E+04 6.59E+04 1.16E+05 6.41E+04 8.18E+04 6.16E+04 5.06E+04 5.81E+04 5.86E+04 8.88E+04 7.14E+04 8.30E+04 9.30E+04 1.04E+05 4.93E+04 5.17E+04 5.14E+04 5.50E+04 1.86E+05 1.78E+05 1.82E+05 1.86E+05 1.39E+05 6.88E+04 8.45E+04 8.28E+04 4.05E+05 1.21E+06 4.78E+05 1.26E+06 Fructose 6-phosphate 4.26E+05 1.25E+06 2.98E+05 1.22E+06 6.98E+05 1.90E+06 7.93E+05 1.46E+06 8.61E+05 1.44E+06 7.87E+05 9.34E+05 8.68E+05 1.87E+06 8.51E+05 2.05E+06 6.82E+05 2.26E+06 7.94E+05 2.46E+06 7.83E+05 1.70E+06 3.87E+05 1.61E+06 5.84E+05 1.31E+06 6.66E+05 1.75E+06 1.10E+06 1.63E+06 9.70E+05 1.56E+06 6.00E+05 1.34E+06 5.00E+05 1.78E+06 4.17E+06 1.20E+07 4.01E+06 1.11E+07 Ribulose 5-phosphate 4.77E+05 3.38E+05 5.47E+05 3.61E+05 4.37E+05 1.07E+05 4.73E+05 1.33E+05 3.83E+05 9.11E+04 3.67E+05 7.67E+04 4.81E+05 1.51E+05 4.40E+05 1.80E+05 3.32E+05 1.58E+05 4.13E+05 2.89E+05 3.55E+05 1.56E+05 3.01E+05 1.72E+05 2.48E+05 1.61E+05 3.77E+05 1.45E+05 9.45E+05 3.10E+05 8.69E+05 3.10E+05 8.30E+05 2.03E+05 7.48E+05 2.64E+05 4.31E+06 4.44E+06 4.63E+06 3.69E+06 Ribose 5-phosphate 2.17E+05 2.87E+05 2.42E+05 3.01E+05 2.16E+05 2.06E+05 2.34E+05 2.27E+05 1.93E+05 1.80E+05 1.76E+05 1.49E+05 2.39E+05 2.94E+05 2.26E+05 2.63E+05 1.42E+05 2.79E+05 2.05E+05 2.79E+05 1.87E+05 2.41E+05 1.19E+05 2.43E+05 1.09E+05 1.75E+05 1.67E+05 2.36E+05 4.74E+05 3.40E+05 4.35E+05 2.89E+05 3.88E+05 2.01E+05 3.21E+05 2.86E+05 2.46E+06 3.02E+06 2.38E+06 2.80E+06 Fumarate 1.04E+05 2.54E+04 1.09E+05 2.35E+04 1.29E+05 4.90E+03 1.42E+05 5.80E+03 9.85E+04 5.10E+03 1.08E+05 6.41E+03 1.41E+05 4.69E+03 1.33E+05 6.87E+03 1.04E+05 6.88E+03 1.18E+05 4.96E+04 9.63E+04 4.52E+03 9.78E+04 3.70E+03 7.63E+04 6.48E+03 9.85E+04 2.85E+03 2.04E+05 2.39E+04 1.88E+05 2.95E+04 1.59E+05 1.06E+04 1.50E+05 1.61E+04 1.98E+06 3.48E+05 2.35E+06 3.36E+05 Oxaloacetate 3.21E+04 8.13E+03 3.20E+04 7.55E+03 1.10E+04 1.37E+04 2.02E+04 7.69E+03 1.48E+04 9.47E+03 2.58E+04 8.96E+03 2.65E+04 9.23E+03 4.03E+04 7.21E+03 2.51E+04 1.16E+04 1.86E+04 1.40E+04 1.87E+04 6.38E+03 2.11E+04 1.10E+04 1.03E+04 1.00E+04 1.58E+04 9.60E+03 1.60E+05 2.34E+04 1.65E+05 1.61E+04 4.74E+04 1.00E+04 4.57E+04 7.87E+03 4.19E+05 9.40E+04 4.92E+05 8.09E+04 Glutamine 5.35E+07 2.35E+07 5.56E+07 2.15E+07 4.69E+07 7.33E+06 4.43E+07 7.73E+06 4.15E+07 8.27E+06 4.26E+07 6.98E+06 4.77E+07 1.17E+07 4.21E+07 1.11E+07 4.19E+07 9.95E+06 4.35E+07 1.01E+07 4.71E+07 1.25E+07 4.48E+07 1.42E+07 4.23E+07 7.69E+06 4.17E+07 9.20E+06 5.49E+07 3.25E+07 5.11E+07 3.17E+07 5.14E+07 2.35E+07 4.36E+07 2.76E+07 5.50E+07 2.51E+07 5.68E+07 2.25E+07 7.24E+07 6.19E+07 6.92E+07 5.06E+07 6.60E+07 4.69E+07 7.59E+07 4.04E+07 5.69E+07 4.41E+07 6.39E+07 4.99E+07 6.35E+07 4.96E+07 6.75E+07 4.88E+07 7.28E+07 5.73E+07 7.01E+07 5.20E+07 1.75E+08 4.26E+07 6.51E+07 4.50E+07 7.15E+07 4.77E+07 5.69E+07 4.63E+07 6.51E+07 5.38E+07 5.73E+07 5.17E+07 6.94E+07 5.39E+07 5.87E+07 4.53E+07 5.52E+07 4.78E+07 6.08E+07 4.83E+07 5.60E+07 5.41E+07 5.78E+07 5.45E+07 8.27E+07 8.34E+07 8.98E+07 Fructose 1,6-bisphosphate 4.64E+06 1.88E+07 3.58E+06 2.28E+07 6.53E+06 7.90E+07 7.51E+06 8.03E+07 4.33E+06 6.97E+07 7.26E+06 6.16E+07 5.60E+06 9.17E+07 8.06E+06 7.89E+07 2.41E+06 8.83E+07 4.65E+06 7.95E+07 4.43E+06 5.75E+07 2.11E+06 5.64E+07 1.82E+06 5.04E+07 4.75E+06 7.75E+07 2.87E+06 2.13E+07 3.28E+06 1.49E+07 7.61E+06 1.97E+07 7.04E+06 3.60E+07 2.77E+07 1.60E+08 2.99E+07 1.45E+08 cis-Aconitate 5.52E+05 5.89E+05 5.03E+05 6.37E+05 2.52E+06 5.33E+04 2.62E+06 1.03E+05 2.14E+06 1.05E+05 2.22E+06 5.03E+04 2.29E+06 9.79E+04 2.14E+06 1.13E+05 1.55E+06 1.01E+05 1.90E+06 1.14E+05 1.45E+06 9.98E+04 1.26E+06 8.61E+04 1.35E+06 1.08E+05 1.84E+06 8.00E+04 1.68E+06 1.72E+05 1.50E+06 1.54E+05 1.17E+06 2.28E+05 7.24E+05 1.66E+05 7.47E+05 6.36E+05 8.89E+05 6.85E+05 Malate 2.51E+07 7.36E+06 2.60E+07 6.34E+06 3.06E+07 1.59E+06 3.09E+07 1.93E+06 2.45E+07 1.78E+06 2.68E+07 1.55E+06 3.17E+07 1.98E+06 2.88E+07 2.28E+06 2.28E+07 2.27E+06 2.82E+07 1.14E+07 2.27E+07 1.73E+06 1.98E+07 1.97E+06 1.76E+07 1.83E+06 2.46E+07 1.38E+06 4.30E+07 7.53E+06 4.24E+07 7.34E+06 3.67E+07 2.58E+06 3.37E+07 2.96E+06 2.53E+08 7.04E+07 3.02E+08 5.96E+07 Acetyl-CoA 3.16E+05 9.48E+04 3.55E+05 1.26E+05 5.46E+05 1.22E+04 4.73E+05 1.83E+04 5.07E+05 1.70E+04 5.40E+05 2.17E+04 4.08E+05 1.19E+04 2.56E+05 1.83E+04 4.12E+05 1.75E+04 4.19E+05 7.22E+04 3.30E+05 1.92E+04 2.99E+05 1.53E+04 2.68E+05 2.76E+04 3.53E+05 6.35E+03 1.23E+06 1.61E+05 1.22E+06 2.78E+05 4.08E+05 8.34E+04 4.66E+05 7.16E+04 2.60E+06 2.03E+06 2.79E+06 1.94E+06 Asparagine 7.39E+05 1.97E+05 7.73E+05 1.63E+05 6.09E+05 4.43E+04 5.68E+05 5.05E+04 5.66E+05 5.86E+04 5.75E+05 4.38E+04 6.57E+05 7.55E+04 5.61E+05 7.48E+04 5.24E+05 6.57E+04 6.05E+05 7.41E+04 6.37E+05 8.06E+04 6.02E+05 9.18E+04 5.47E+05 4.83E+04 5.93E+05 5.98E+04 8.26E+05 3.36E+05 8.19E+05 3.41E+05 7.46E+05 2.02E+05 6.38E+05 2.36E+05 6.22E+05 2.27E+05 6.56E+05 2.14E+05 1.13E+06 9.29E+05 1.20E+06 8.27E+05 1.15E+06 5.47E+05 1.17E+06 5.16E+05 1.02E+06 5.28E+05 1.07E+06 6.02E+05 1.15E+06 6.34E+05 1.15E+06 6.44E+05 1.20E+06 7.39E+05 1.19E+06 6.40E+05 2.76E+06 5.75E+05 1.02E+06 6.01E+05 1.17E+06 6.51E+05 9.76E+05 5.72E+05 1.20E+06 9.23E+05 1.13E+06 9.62E+05 1.02E+06 8.25E+05 1.02E+06 7.16E+05 8.23E+05 7.49E+05 9.32E+05 7.62E+05 9.65E+05 9.38E+05 9.16E+05 8.98E+05 9.18E+05 8.89E+05 9.55E+05 Sedoheptulose 7-phosphate 2.33E+05 5.46E+05 2.08E+05 6.07E+05 4.23E+05 8.67E+05 3.25E+05 9.89E+05 3.63E+05 7.31E+05 3.74E+05 6.46E+05 5.45E+05 1.08E+06 4.36E+05 9.80E+05 2.65E+05 9.53E+05 4.00E+05 1.09E+06 4.03E+05 8.94E+05 1.79E+05 8.93E+05 2.11E+05 6.65E+05 3.73E+05 8.63E+05 5.69E+05 7.87E+05 5.55E+05 7.12E+05 3.04E+05 5.57E+05 2.69E+05 7.76E+05 2.50E+06 5.64E+06 3.28E+06 5.34E+06 Glycerol 3-phosphate 2.37E+07 1.05E+07 2.50E+07 1.19E+07 3.73E+07 4.21E+06 3.49E+07 4.88E+06 2.51E+07 3.87E+06 2.46E+07 3.58E+06 3.97E+07 7.53E+06 3.37E+07 7.89E+06 2.96E+07 7.85E+06 3.35E+07 1.93E+07 2.86E+07 9.82E+06 2.47E+07 9.30E+06 1.97E+07 7.50E+06 2.49E+07 5.72E+06 1.06E+08 3.05E+07 1.03E+08 3.08E+07 4.81E+07 1.34E+07 4.28E+07 1.72E+07 4.34E+08 2.78E+08 4.88E+08 2.44E+08 3-Phosphoglycerate 6.85E+05 3.95E+05 6.39E+05 5.10E+05 6.40E+05 2.92E+05 5.59E+05 2.99E+05 4.05E+05 3.06E+05 4.60E+05 2.75E+05 3.69E+04 2.49E+05 6.53E+05 2.32E+05 3.70E+05 2.45E+05 4.82E+05 3.31E+05 4.66E+05 2.66E+05 1.42E+04 1.82E+05 2.32E+05 2.19E+05 5.15E+05 1.95E+05 1.46E+06 1.24E+06 1.47E+06 8.26E+05 8.51E+05 3.34E+05 6.98E+05 5.88E+05 6.90E+06 1.38E+07 9.53E+06 1.02E+07 Malonyl-CoA 3.82E+04 3.46E+03 4.78E+04 5.04E+03 1.25E+05 4.27E+03 1.07E+05 4.98E+03 1.02E+05 6.04E+03 1.04E+05 3.92E+03 1.90E+05 2.58E+03 1.11E+05 3.62E+03 1.24E+05 4.71E+03 1.34E+05 1.22E+04 1.09E+05 4.79E+03 1.10E+05 3.27E+03 7.63E+04 3.92E+03 1.05E+05 1.84E+03 4.77E+05 1.49E+04 4.78E+05 1.49E+04 7.04E+04 3.46E+03 6.54E+04 4.84E+03 4.86E+05 9.48E+04 4.19E+05 1.14E+05 Glyceraldehyde 3-phosphate 5.57E+04 7.92E+04 6.11E+04 7.73E+04 1.04E+05 5.29E+04 9.29E+04 6.43E+04 8.05E+04 4.00E+04 6.94E+04 5.67E+04 1.23E+05 6.93E+04 7.94E+04 5.09E+04 8.26E+04 4.48E+04 9.65E+04 6.60E+04 6.90E+04 7.79E+04 7.94E+04 5.29E+04 6.19E+04 5.77E+04 6.37E+04 4.98E+04 2.11E+05 3.14E+05 2.14E+05 3.31E+05 1.21E+05 7.04E+04 1.00E+05 1.16E+05 7.87E+05 6.36E+05 8.42E+05 8.10E+05 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name m/z PubChem ID KEGG_ID Glucose 6-phosphate 259 5958 C00668 Fructose 6-phosphate 259 69507 C00085 Fructose 1,6-bisphosphate 339 10267 C05378 Glycerol 3-phosphate 171 439162 C00093 Glyceraldehyde 3-phosphate 169 439168 C00118 3-Phosphoglycerate 185 724 C00197 Phosphoenolpyruvate 167 1005 C00074 Pyruvate 87 107735 C00022 Lactate 89 91435 C00186 Alanine 88 5950 C00041 Acetyl-CoA 808 444493 C00024 Malonyl-CoA 852 644066 C00083 Citrate 191 311 C00158 cis-Aconitate 173 643757 C00417 a-Ketoglutarate 145 51 C00026 Aspartate 132 5960 C00049 Asparagine 131 6267 C00152 Succinate 117 1110 C00042 Fumarate 115 444972 C00122 Malate 133 525 C00711 Oxaloacetate 131 970 C00036 Glutamate 146 33032 C00025 Glutamine 145 5961 C00064 Ribulose 5-phosphate 229 439184 C00199 Ribose 5-phosphate 229 439167 C00117 Sedoheptulose 7-phosphate 289 65007 C05382 METABOLITES_END #END