{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003808","ANALYSIS_ID":"AN006261","PROJECT_ID":"PR002382","VERSION":"1","CREATED_ON":"March 21, 2025, 11:35 am"},

"PROJECT":{"PROJECT_TITLE":"Lipidomics of human mammary epithelial stem-like cells (hMECs) overexpressing Glucose-6-phosphate dehydrogenase (G6PD)","PROJECT_SUMMARY":"Peroxisomes play a crucial role in cellular metabolism. Glucose-6-phosphate dehydrogenase (G6PD), the gatekeeper enzyme of the pentose phosphate pathway, is primarily localized in the cytosol. However, studies have reported its presence in peroxisomes as well. This project aims to determine the function of G6PD on the peroxisomal membrane. To investigate this, we overexpressed G6PD either in the cytosol or on the peroxisomal membrane of human mammary epithelial stem-like cells (hMECs), a cell line that retains characteristics of primary mammary epithelial stem cells, and analyzed their lipidomic profiles for comparison.","INSTITUTE":"University of Helsinki","DEPARTMENT":"Faculty of Biological and Environmental Sciences","LABORATORY":"Katajisto Laboratory","LAST_NAME":"Bui","FIRST_NAME":"Hien","ADDRESS":"Biocenter 1, Viikinkaari 9, Helsinki, Uusimaa, 00790, Finland","EMAIL":"hien.bui@helsinki.fi","PHONE":"+358294159407"},

"STUDY":{"STUDY_TITLE":"Glucose-6-phosphate-dehydrogenase on old peroxisomes maintains self-renewal of epithelial stem cells after asymmetric cell division","STUDY_SUMMARY":"Peroxisomes play a crucial role in cellular metabolism. Glucose-6-phosphate dehydrogenase (G6PD), the gatekeeper enzyme of the pentose phosphate pathway, is primarily localized in the cytosol. However, studies have reported its presence in peroxisomes as well. This project aims to determine the function of G6PD on the peroxisomal membrane. In this study, we overexpressed G6PD in either the cytosol or on the peroxisomal membrane of mammary epithelial stem-like cells (hMECs). By comparing their lipidomic profiles, we found that peroxisomal membrane-associated G6PD provides NADPH, which feeds into peroxisomal ether lipid synthesis.","INSTITUTE":"University of Helsinki","DEPARTMENT":"Faculty of Biological and Environmental Sciences","LABORATORY":"Katajisto Laboratory","LAST_NAME":"Hien","FIRST_NAME":"Bui","ADDRESS":"Biocenter 1, Viikinkaari 9","EMAIL":"hien.bui@helsinki.fi","PHONE":"+358294159407"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"c-pos-1",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"cytosolic G6PD","G6PD expression":"Overexpressed"},
"Additional sample data":{"Replicate":"rep1","RAW_FILE_NAME(Raw_file_name)":"c-pos-1_06032024-1.CDF"}
},
{
"Subject ID":"-",
"Sample ID":"c-neg-2",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"cytosolic G6PD","G6PD expression":"Non-overexpressed"},
"Additional sample data":{"Replicate":"rep1","RAW_FILE_NAME(Raw_file_name)":"c-neg-2_06032024-1.CDF"}
},
{
"Subject ID":"-",
"Sample ID":"p-pos-3",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"peroxisomal G6PD","G6PD expression":"Overexpressed"},
"Additional sample data":{"Replicate":"rep1","RAW_FILE_NAME(Raw_file_name)":"p-pos-3_06032024-1.CDF"}
},
{
"Subject ID":"-",
"Sample ID":"p-neg-4",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"peroxisomal G6PD","G6PD expression":"Non-overexpressed"},
"Additional sample data":{"Replicate":"rep1","RAW_FILE_NAME(Raw_file_name)":"p-neg-4_06032024-1.CDF"}
},
{
"Subject ID":"-",
"Sample ID":"c-pos-5",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"cytosolic G6PD","G6PD expression":"Overexpressed"},
"Additional sample data":{"Replicate":"rep2","RAW_FILE_NAME(Raw_file_name)":"c-pos-5_06032024-1.CDF"}
},
{
"Subject ID":"-",
"Sample ID":"c-neg-6",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"cytosolic G6PD","G6PD expression":"Non-overexpressed"},
"Additional sample data":{"Replicate":"rep2","RAW_FILE_NAME(Raw_file_name)":"c-neg-6_06032024-1.CDF"}
},
{
"Subject ID":"-",
"Sample ID":"p-pos-7",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"peroxisomal G6PD","G6PD expression":"Overexpressed"},
"Additional sample data":{"Replicate":"rep2","RAW_FILE_NAME(Raw_file_name)":"p-pos-7_06032024-1.CDF"}
},
{
"Subject ID":"-",
"Sample ID":"p-neg-8",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"peroxisomal G6PD","G6PD expression":"Non-overexpressed"},
"Additional sample data":{"Replicate":"rep2","RAW_FILE_NAME(Raw_file_name)":"p-neg-8_07032024-1.CDF"}
},
{
"Subject ID":"-",
"Sample ID":"c-pos-9",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"cytosolic G6PD","G6PD expression":"Overexpressed"},
"Additional sample data":{"Replicate":"rep3","RAW_FILE_NAME(Raw_file_name)":"c-pos-9_07032024-1.CDF"}
},
{
"Subject ID":"-",
"Sample ID":"c-neg-10",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"cytosolic G6PD","G6PD expression":"Non-overexpressed"},
"Additional sample data":{"Replicate":"rep3","RAW_FILE_NAME(Raw_file_name)":"c-neg-10_06032024-1.CDF"}
},
{
"Subject ID":"-",
"Sample ID":"p-pos-11",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"peroxisomal G6PD","G6PD expression":"Overexpressed"},
"Additional sample data":{"Replicate":"rep3","RAW_FILE_NAME(Raw_file_name)":"p-pos-11_06032024-1.CDF"}
},
{
"Subject ID":"-",
"Sample ID":"p-neg-12",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"peroxisomal G6PD","G6PD expression":"Non-overexpressed"},
"Additional sample data":{"Replicate":"rep3","RAW_FILE_NAME(Raw_file_name)":"p-neg-12_07032024-1.CDF"}
},
{
"Subject ID":"-",
"Sample ID":"c-pos-13",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"cytosolic G6PD","G6PD expression":"Overexpressed"},
"Additional sample data":{"Replicate":"rep4","RAW_FILE_NAME(Raw_file_name)":"c-pos-13_07032024-1.CDF"}
},
{
"Subject ID":"-",
"Sample ID":"c-neg-14",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"cytosolic G6PD","G6PD expression":"Non-overexpressed"},
"Additional sample data":{"Replicate":"rep4","RAW_FILE_NAME(Raw_file_name)":"c-neg-14_06032024-1.CDF"}
},
{
"Subject ID":"-",
"Sample ID":"p-pos-15",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"peroxisomal G6PD","G6PD expression":"Overexpressed"},
"Additional sample data":{"Replicate":"rep4","RAW_FILE_NAME(Raw_file_name)":"p-pos-15_06032024-1.CDF"}
},
{
"Subject ID":"-",
"Sample ID":"p-neg-16",
"Factors":{"Sample source":"human mammary epithelial stem-like cell","Sample type":"peroxisomal G6PD","G6PD expression":"Non-overexpressed"},
"Additional sample data":{"Replicate":"rep4","RAW_FILE_NAME(Raw_file_name)":"p-neg-16_07032024-1.CDF"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Human mammary epithelial cells (hMECs) line FL2 (PMID: 21498687) was used for this study. hMECs were maintained in MEGM mammary epithelial medium (Lonza, CC-3153). G6PD overexpression plasmids were generated in a pRP backbone by inserting the G6PD sequence with or without peroxisomal targeting signal downstream of the hPGK promoter. In addition, the plasmids contain an mCherry sequence downstream of an IRES sequence. mCherry was used as the selection marker for transfected cells in FACS sorting. To over-express G6PD in hMECs, endotoxin-free plasmids were transfected to the cells using jetPRIME (Polyplus, 101000015). 24hours post-transfection, cells were trypsinized, sorted into culture media by Fluorescence-Activated Cell Sorting (FACS), centrifuged at 500g for 5min, washed 1 with cold PBS following by washed 1 with sucrose 0.25M. Pellets were snap freeze with liquid N2 and store at -70.","SAMPLE_TYPE":"Epithelial cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"Human mammary epithelial stem like cells (hMECs) were transfected with endotoxin-free G6PD overexpression plasmids using jetPRIME (Polyplus, 101000015). Cells were analyzed 24h post-transfection."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"GC-MS: Fatty acyl (FA) and alkenyl chains, and fatty alcohols (FOHs) were analysed by gas chromatography (GC). Aliquots of cell pellet Folch-extracts were evaporated near to dryness under nitrogen flow and the extracted lipids were transmethylated by heating with 1% H2SO4 in methanol under nitrogen atmosphere. This converts FAs to their methyl esters (FAMEs), phospholipid-derived alkenyl chains to dimethyl acetals (DMAs) and leaves FOHs (1-ol) intact. After adding water, the FAMEs, DMAs and FOHs were extracted with hexane, and the sample solution was dried, and concentrated. LC-MS: Lipids were extracted from cell pellets (at least from one million cells) according to Folch et al (PMID: 13428781), and dissolved in chloroform/methanol 1:2 (v/v). Internal standards [EquiSPLASH® internal standard mixture and Ceramide (Cer) 18:1;O2/17:0, both from Merck] were added and samples were analyzed with LC-MS/MS."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"The samples were injected into a GC-2010 Plus gas chromatograph (Shimadzu Scientific Instruments, Kyoto, Japan) with flame-ionization detector (FID) for quantification of the analytes. Both GC systems were equipped with Zebron ZB-wax capillary columns (30 m, 0.25 mm ID and film thickness 0.25 μm; Phenomenex, Torrence CA, USA). GC-FID chromatographic peak areas (in the TXT files; analyte retention times in Table 1) were converted to mol% using the theoretical correction factors for FID (6), and the FOHs were calculated as µmol/10^6 cells.","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Shimadzu GC-2010","COLUMN_NAME":"Phenomenex Zebron ZB-wax capillary (30m x 0.25mm, 0.25um)","SOLVENT_A":"NA","SOLVENT_B":"NA","FLOW_GRADIENT":"NA","FLOW_RATE":"1.8 ml min–1 for FID and 1.0 ml min–1 for MSD","COLUMN_TEMPERATURE":"280 °C for FID and 210 °C for MSD."},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Helsinki University Lipidomics Unit (HiLIPID)"},

"MS":{"INSTRUMENT_NAME":"Shimadzu QP2010 Plus","INSTRUMENT_TYPE":"GC-FID & GC-MSD","MS_TYPE":"EI","ION_MODE":"POSITIVE","MS_COMMENTS":"The samples were injected into a GC-2010 Plus gas chromatograph (Shimadzu Scientific Instruments, Kyoto, Japan) with flame-ionization detector (FID) for quantification of the analytes. Both GC systems were equipped with Zebron ZB-wax capillary columns (30 m, 0.25 mm ID and film thickness 0.25 μm; Phenomenex, Torrence CA, USA). GC-FID chromatographic peak areas were converted to mol% using the theoretical correction factors for FID, and the FOHs were calculated as µmol/1 million cells (ebook ISBN:9780429127557). The identifications were performed using a GCMS-QP2010 Ultra (Shimadzu Scientific Instruments, Kyoto, Japan) with mass selective detector (MSD). The spectra of the analytes were compared with the spectra of several authentic standard mixtures of FAMEs (Supelco CRM47885, 47033, 47085-U, 47015-U and 47080-U) and published reference mass spectra (https://lipidmaps.org/resources/lipid_web?page=ms/masspec.html)."},

"MS_METABOLITE_DATA":{
"Units":"peak area",

"Data":[{"Metabolite":"FA 12:0","c-pos-1":"738","c-neg-2":"4289","p-pos-3":"13601","p-neg-4":"6041","c-pos-5":"18427","c-neg-6":"6804","p-pos-7":"7384","p-neg-8":"10366","c-pos-9":"11646","c-neg-10":"515","p-pos-11":"7993","p-neg-12":"7077","c-pos-13":"11182","c-neg-14":"9245","p-pos-15":"9742","p-neg-16":"10964"},{"Metabolite":"FA 13:0","c-pos-1":"2377","c-neg-2":"141","p-pos-3":"322","p-neg-4":"3607","c-pos-5":"5517","c-neg-6":"4438","p-pos-7":"2741","p-neg-8":"3131","c-pos-9":"3039","c-neg-10":"2721","p-pos-11":"4456","p-neg-12":"2966","c-pos-13":"3017","c-neg-14":"3378","p-pos-15":"347","p-neg-16":"3501"},{"Metabolite":"FA 14:0 iso","c-pos-1":"3034","c-neg-2":"2377","p-pos-3":"6748","p-neg-4":"2052","c-pos-5":"2632","c-neg-6":"3135","p-pos-7":"388","p-neg-8":"2819","c-pos-9":"2365","c-neg-10":"208","p-pos-11":"2488","p-neg-12":"2684","c-pos-13":"2388","c-neg-14":"2452","p-pos-15":"2795","p-neg-16":"3212"},{"Metabolite":"FA 14:0","c-pos-1":"58745","c-neg-2":"40553","p-pos-3":"201451","p-neg-4":"42744","c-pos-5":"102106","c-neg-6":"46681","p-pos-7":"13387","p-neg-8":"64558","c-pos-9":"75148","c-neg-10":"52241","p-pos-11":"70466","p-neg-12":"90063","c-pos-13":"82853","c-neg-14":"75327","p-pos-15":"80649","p-neg-16":"97421"},{"Metabolite":"FA 14:1n-5","c-pos-1":"3256","c-neg-2":"496","p-pos-3":"19279","p-neg-4":"3662","c-pos-5":"5644","c-neg-6":"4032","p-pos-7":"13757","p-neg-8":"6367","c-pos-9":"3329","c-neg-10":"3218","p-pos-11":"4637","p-neg-12":"6199","c-pos-13":"2636","c-neg-14":"4805","p-pos-15":"4274","p-neg-16":"6608"},{"Metabolite":"FA 15:0 iso","c-pos-1":"12146","c-neg-2":"4945","p-pos-3":"31862","p-neg-4":"9674","c-pos-5":"12751","c-neg-6":"7129","p-pos-7":"20213","p-neg-8":"24914","c-pos-9":"3483","c-neg-10":"1332","p-pos-11":"4015","p-neg-12":"3295","c-pos-13":"2792","c-neg-14":"3965","p-pos-15":"3195","p-neg-16":"450"},{"Metabolite":"FA 15:0 anteiso","c-pos-1":"4454","c-neg-2":"233","p-pos-3":"16243","p-neg-4":"3671","c-pos-5":"7468","c-neg-6":"2265","p-pos-7":"7977","p-neg-8":"863","c-pos-9":"3185","c-neg-10":"1934","p-pos-11":"2726","p-neg-12":"4258","c-pos-13":"2786","c-neg-14":"4343","p-pos-15":"3924","p-neg-16":"5859"},{"Metabolite":"FA 15:0","c-pos-1":"9578","c-neg-2":"9225","p-pos-3":"43043","p-neg-4":"10086","c-pos-5":"20961","c-neg-6":"8651","p-pos-7":"25208","p-neg-8":"12534","c-pos-9":"9945","c-neg-10":"9257","p-pos-11":"9967","p-neg-12":"10572","c-pos-13":"7223","c-neg-14":"6083","p-pos-15":"7923","p-neg-16":"10589"},{"Metabolite":"FA 16:0 iso","c-pos-1":"3945","c-neg-2":"3244","p-pos-3":"25182","p-neg-4":"398","c-pos-5":"559","c-neg-6":"3541","p-pos-7":"10542","p-neg-8":"4908","c-pos-9":"3439","c-neg-10":"2718","p-pos-11":"3252","p-neg-12":"6674","c-pos-13":"2525","c-neg-14":"3933","p-pos-15":"3671","p-neg-16":"5558"},{"Metabolite":"DMA 16:0","c-pos-1":"84444","c-neg-2":"54241","p-pos-3":"85679","p-neg-4":"54369","c-pos-5":"96374","c-neg-6":"68139","p-pos-7":"8087","p-neg-8":"78957","c-pos-9":"124457","c-neg-10":"69399","p-pos-11":"113386","p-neg-12":"10917","c-pos-13":"145327","c-neg-14":"121255","p-pos-15":"150477","p-neg-16":"126182"},{"Metabolite":"DMA 16:1n-7","c-pos-1":"1178","c-neg-2":"879","p-pos-3":"1929","p-neg-4":"38","c-pos-5":"1664","c-neg-6":"54","p-pos-7":"8897","p-neg-8":"1034","c-pos-9":"985","c-neg-10":"672","p-pos-11":"1275","p-neg-12":"31588","c-pos-13":"1253","c-neg-14":"801","p-pos-15":"1048","p-neg-16":"1031"},{"Metabolite":"FA 16:0","c-pos-1":"683939","c-neg-2":"459091","p-pos-3":"1924283","p-neg-4":"483034","c-pos-5":"1017129","c-neg-6":"513837","p-pos-7":"1135187","p-neg-8":"69372","c-pos-9":"848724","c-neg-10":"58824","p-pos-11":"786394","p-neg-12":"857364","c-pos-13":"965793","c-neg-14":"869902","p-pos-15":"990763","p-neg-16":"957149"},{"Metabolite":"FA 16:1n-9","c-pos-1":"590","c-neg-2":"4974","p-pos-3":"39434","p-neg-4":"5378","c-pos-5":"13057","c-neg-6":"7535","p-pos-7":"25849","p-neg-8":"11024","c-pos-9":"15008","c-neg-10":"6863","p-pos-11":"897","p-neg-12":"29556","c-pos-13":"18027","c-neg-14":"12372","p-pos-15":"15523","p-neg-16":"16928"},{"Metabolite":"FA 16:1n-7","c-pos-1":"309938","c-neg-2":"281913","p-pos-3":"103308","p-neg-4":"280646","c-pos-5":"320236","c-neg-6":"284395","p-pos-7":"701515","p-neg-8":"378483","c-pos-9":"408034","c-neg-10":"367355","p-pos-11":"393565","p-neg-12":"506712","c-pos-13":"448008","c-neg-14":"483842","p-pos-15":"479657","p-neg-16":"522887"},{"Metabolite":"FA 16:1n-5","c-pos-1":"4365","c-neg-2":"3507","p-pos-3":"24456","p-neg-4":"443","c-pos-5":"4162","c-neg-6":"5453","p-pos-7":"11851","p-neg-8":"6283","c-pos-9":"630","c-neg-10":"4042","p-pos-11":"5768","p-neg-12":"4664","c-pos-13":"6755","c-neg-14":"7104","p-pos-15":"7773","p-neg-16":"6468"},{"Metabolite":"FA 17:0 iso","c-pos-1":"10038","c-neg-2":"5566","p-pos-3":"44075","p-neg-4":"7495","c-pos-5":"10635","c-neg-6":"681","p-pos-7":"2758","p-neg-8":"8372","c-pos-9":"2601","c-neg-10":"6041","p-pos-11":"9055","p-neg-12":"26654","c-pos-13":"3328","c-neg-14":"7458","p-pos-15":"728","p-neg-16":"7881"},{"Metabolite":"FA 17:0 anteiso","c-pos-1":"4951","c-neg-2":"2016","p-pos-3":"22054","p-neg-4":"2552","c-pos-5":"6454","c-neg-6":"2155","p-pos-7":"11914","p-neg-8":"5746","c-pos-9":"3972","c-neg-10":"2098","p-pos-11":"3999","p-neg-12":"1914","c-pos-13":"3986","c-neg-14":"3612","p-pos-15":"5348","p-neg-16":"4914"},{"Metabolite":"FA 17:0","c-pos-1":"4492","c-neg-2":"2552","p-pos-3":"31853","p-neg-4":"3011","c-pos-5":"10734","c-neg-6":"260","p-pos-7":"14907","p-neg-8":"582","c-pos-9":"4916","c-neg-10":"3207","p-pos-11":"504","p-neg-12":"5303","c-pos-13":"5457","c-neg-14":"4674","p-pos-15":"4995","p-neg-16":"5845"},{"Metabolite":"FA 17:1n-8","c-pos-1":"4279","c-neg-2":"3316","p-pos-3":"46096","p-neg-4":"3038","c-pos-5":"6598","c-neg-6":"3046","p-pos-7":"25555","p-neg-8":"7966","c-pos-9":"5011","c-neg-10":"4522","p-pos-11":"534","p-neg-12":"3972","c-pos-13":"5476","c-neg-14":"5401","p-pos-15":"694","p-neg-16":"3759"},{"Metabolite":"DMA 18:0","c-pos-1":"52638","c-neg-2":"31326","p-pos-3":"56558","p-neg-4":"30887","c-pos-5":"6296","c-neg-6":"35336","p-pos-7":"50709","p-neg-8":"46621","c-pos-9":"75758","c-neg-10":"37201","p-pos-11":"67982","p-neg-12":"58232","c-pos-13":"87547","c-neg-14":"67668","p-pos-15":"93848","p-neg-16":"72092"},{"Metabolite":"DMA 18:1n-9","c-pos-1":"18384","c-neg-2":"15526","p-pos-3":"42966","p-neg-4":"14899","c-pos-5":"23916","c-neg-6":"16124","p-pos-7":"22032","p-neg-8":"2332","c-pos-9":"24589","c-neg-10":"15698","p-pos-11":"22841","p-neg-12":"56858","c-pos-13":"28148","c-neg-14":"26746","p-pos-15":"30775","p-neg-16":"38111"},{"Metabolite":"DMA 18:1n-7","c-pos-1":"2668","c-neg-2":"1979","p-pos-3":"33739","p-neg-4":"20075","c-pos-5":"32789","c-neg-6":"2133","p-pos-7":"28746","p-neg-8":"28986","c-pos-9":"31723","c-neg-10":"19131","p-pos-11":"3189","p-neg-12":"33494","c-pos-13":"40544","c-neg-14":"35245","p-pos-15":"43474","p-neg-16":"38517"},{"Metabolite":"FA 18:0","c-pos-1":"497598","c-neg-2":"287118","p-pos-3":"840659","p-neg-4":"311724","c-pos-5":"656542","c-neg-6":"329353","p-pos-7":"518829","p-neg-8":"424989","c-pos-9":"604286","c-neg-10":"361595","p-pos-11":"532256","p-neg-12":"495523","c-pos-13":"697744","c-neg-14":"580967","p-pos-15":"682358","p-neg-16":"637232"},{"Metabolite":"FA 18:1n-11","c-pos-1":"8998","c-neg-2":"5914","p-pos-3":"11868","p-neg-4":"6107","c-pos-5":"10929","c-neg-6":"6325","p-pos-7":"13283","p-neg-8":"7659","c-pos-9":"10143","c-neg-10":"5542","p-pos-11":"9443","p-neg-12":"3679","c-pos-13":"12992","c-neg-14":"10439","p-pos-15":"13454","p-neg-16":"6548"},{"Metabolite":"FA 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