{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003403","ANALYSIS_ID":"AN005584","PROJECT_ID":"PR002107","VERSION":"1","CREATED_ON":"August 14, 2024, 9:04 am"},

"PROJECT":{"PROJECT_TITLE":"The double-edged role of FASII regulator FabT in Streptococcus pyogenes infection","PROJECT_TYPE":"MS quantitative analysis","PROJECT_SUMMARY":"In Streptococcus pyogenes, the type II fatty acid (FA) synthesis pathway FASII is feedback-controlled by the FabT repressor. A FabT mutation leads to FASII dysregulation, FAs membrane modification and bacterial growth defect in the presence of eukaryotic cells and their supernatant. We try to understand the consequences on bacteria metabolism.","INSTITUTE":"INSERM","DEPARTMENT":"U1016","LABORATORY":"Institut Cochin - Bacteria and perinatality team","LAST_NAME":"Lambert","FIRST_NAME":"Clara","ADDRESS":"24 rue Méchain 75014 Paris","EMAIL":"clara.lambert@ibcp.fr","PHONE":"+33134652168","PUBLICATIONS":"The double-edged role of FASII regulator FabT in Streptococcus pyogenes infection"},

"STUDY":{"STUDY_TITLE":"The double-edged role of FASII regulator FabT in Streptococcus pyogenes infection - Metabolomics","STUDY_SUMMARY":"In Streptococcus pyogenes, the type II fatty acid (FA) synthesis pathway FASII is feedback-controlled by the FabT repressor. A FabT mutation leads to bacterial growth defect in the presence of eukaryotic cells and their supernatant. We investigated a possible metabolic basis for the mFabT growth defect, which could reflect an incapacity to use cell-secreted products for growth. We used a metabolomics approach to assess metabolites that are differentially consumed by mFabT compared to the WT strain, cultivated in the presence of non-infected endometrial cells supernatants (HEC-1-A cells). HEC-1-A supernatants were inoculated or not with WT or mFabT strains during 8 or 16 h. The metabolite composition of these supernatants was analyzed by Proteigene (https://proteigene.com) using MxP® Quant 500 kit (Biocrates) by two analytical methods, LC-MS/MS for small molecules and FIA-MS/MS for lipids. This analysis was repeated on 3 independent series of supernatants. These analyses have a defined detection threshold (LOD) for each family of metabolite. You can found in attachment the raw folders and sample informations.","INSTITUTE":"INSERM","DEPARTMENT":"U1016","LABORATORY":"Institut Cochin - Bacteria and perinatality team","LAST_NAME":"Lambert","FIRST_NAME":"Clara","ADDRESS":"24 rue Méchain 75014 Paris","EMAIL":"clara.lambert@ibcp.fr","PHONE":"+33134652168"},

"SUBJECT":{"SUBJECT_TYPE":"Bacteria","SUBJECT_SPECIES":"Streptococcus pyogenes","GENOTYPE_STRAIN":"M28PF1","GENDER":"Not applicable"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"1043481146",
"Sample ID":"SN_1",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Non infected"},
"Additional sample data":{"Sample type":"Conditioned supernatants (SN)","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_23_0_1_1_00_1043481146","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_23_1_1_1_00_1043481146","RAW_FILE_NAME(FIA_FIA1)":"MXP500F-0-5702_1043481437_23_0_1_1_00_1043481146","RAW_FILE_NAME(FIA_FIA2)":"MXP500F-0-5702_1043481437_23_1_1_1_00_1043481146"}
},
{
"Subject ID":"1043481229",
"Sample ID":"SN_2",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Non infected"},
"Additional sample data":{"Sample type":"Conditioned supernatants (SN)","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_60_0_1_1_00_1043481229","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_60_1_1_1_00_1043481229","RAW_FILE_NAME(FIA_FIA1)":"MXP500F-0-5702_1043481437_60_0_1_1_00_1043481229","RAW_FILE_NAME(FIA_FIA2)":"MXP500F-0-5702_1043481437_60_1_1_1_00_1043481229"}
},
{
"Subject ID":"1043481301",
"Sample ID":"SN_3",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Non infected"},
"Additional sample data":{"Sample type":"Conditioned supernatants (SN)","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_46_0_1_1_00_1043481301","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_46_1_1_1_00_1043481301","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_46_0_1_1_00_1043481301","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_46_1_1_1_00_1043481301"}
},
{
"Subject ID":"1043481184",
"Sample ID":"SN inoculated WT-8h_1",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Inoculated with WT during 8h"},
"Additional sample data":{"Sample type":"SN inoculated with WT strain 8 h","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_95_0_1_1_00_1043481184","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_95_1_1_1_00_1043481184","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_95_0_1_1_00_1043481184","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_95_1_1_1_00_1043481184"}
},
{
"Subject ID":"1043481267",
"Sample ID":"SN inoculated WT-8h_2",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Inoculated with WT during 8h"},
"Additional sample data":{"Sample type":"SN inoculated with WT strain 8 h","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_72_0_1_1_00_1043481267","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_72_1_1_1_00_1043481267","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_72_0_1_1_00_1043481267","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_72_1_1_1_00_1043481267"}
},
{
"Subject ID":"1043481340",
"Sample ID":"SN inoculated WT-8h_3",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Inoculated with WT during 8h"},
"Additional sample data":{"Sample type":"SN inoculated with WT strain 8 h","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_58_0_1_1_00_1043481340","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_58_1_1_1_00_1043481340","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_58_0_1_1_00_1043481340","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_58_1_1_1_00_1043481340"}
},
{
"Subject ID":"1043481199",
"Sample ID":"SN inoculated mFabT-8h_1",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Inoculated with mFabT during 8h"},
"Additional sample data":{"Sample type":"SN inoculated with mFabT strain  8 h","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_36_0_1_1_00_1043481199","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_36_1_1_1_00_1043481199","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_36_0_1_1_00_1043481199","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_36_1_1_1_00_1043481199"}
},
{
"Subject ID":"1043481271",
"Sample ID":"SN inoculated mFabT-8h_2",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Inoculated with mFabT during 8h"},
"Additional sample data":{"Sample type":"SN inoculated with mFabT strain  8 h","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_94_0_1_1_00_1043481271","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_94_1_1_1_00_1043481271","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_94_0_1_1_00_1043481271","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_94_1_1_1_00_1043481271"}
},
{
"Subject ID":"1043481354",
"Sample ID":"SN inoculated mFabT-8h_3",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Inoculated with mFabT during 8h"},
"Additional sample data":{"Sample type":"SN inoculated with mFabT strain  8 h","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_47_0_1_1_00_1043481354","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_47_1_1_1_00_1043481354","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_47_0_1_1_00_1043481354","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_47_1_1_1_00_1043481354"}
},
{
"Subject ID":"1043481200",
"Sample ID":"SN inoculated WT-16h_1",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Inoculated with WT during 16h"},
"Additional sample data":{"Sample type":"SN inoculated with WT strain 16 h","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_48_0_1_1_00_1043481200","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_48_1_1_1_00_1043481200","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_48_0_1_1_00_1043481200","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_48_1_1_1_00_1043481200"}
},
{
"Subject ID":"1043481286",
"Sample ID":"SN inoculated WT-16h_2",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Inoculated with WT during 16h"},
"Additional sample data":{"Sample type":"SN inoculated with WT strain 16 h","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_71_0_1_1_00_1043481286","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_71_1_1_1_00_1043481286","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_71_0_1_1_00_1043481286","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_71_1_1_1_00_1043481286"}
},
{
"Subject ID":"1043481369",
"Sample ID":"SN inoculated WT-16h_3",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Inoculated with WT during 16h"},
"Additional sample data":{"Sample type":"SN inoculated with WT strain 16 h","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_10_0_1_1_00_1043481369","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_10_1_1_1_00_1043481369","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_10_0_1_1_00_1043481369","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_10_1_1_1_00_1043481369"}
},
{
"Subject ID":"1043481214",
"Sample ID":"SN inoculated mFabT-16h_1",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Inoculated with mFabT during 16h"},
"Additional sample data":{"Sample type":"SN inoculated with mFabT strain 16 h","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_84_0_1_1_00_1043481214","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_84_1_1_1_00_1043481214","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_84_0_1_1_00_1043481214","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_84_1_1_1_00_1043481214"}
},
{
"Subject ID":"1043481291",
"Sample ID":"SN inoculated mFabT-16h_2",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Inoculated with mFabT during 16h"},
"Additional sample data":{"Sample type":"SN inoculated with mFabT strain 16 h","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_82_0_1_1_00_1043481291","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_82_1_1_1_00_1043481291","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_82_0_1_1_00_1043481291","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_82_1_1_1_00_1043481291"}
},
{
"Subject ID":"1043481373",
"Sample ID":"SN inoculated mFabT-16h_3",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Inoculated with mFabT during 16h"},
"Additional sample data":{"Sample type":"SN inoculated with mFabT strain 16 h","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_35_0_1_1_00_1043481373","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_35_1_1_1_00_1043481373","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_35_0_1_1_00_1043481373","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_35_1_1_1_00_1043481373"}
},
{
"Subject ID":"1043481422",
"Sample ID":"RPMI_1",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Non infected Non treated"},
"Additional sample data":{"Sample type":"Infection medium (RPMI)","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_45_0_1_1_00_1043481422","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_45_1_1_1_00_1043481422","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_45_0_1_1_00_1043481422","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_45_1_1_1_00_1043481422"}
},
{
"Subject ID":"1043481422",
"Sample ID":"RPMI_2",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Non infected Non treated"},
"Additional sample data":{"Sample type":"Infection medium (RPMI)","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_33_0_1_1_00_1043481422","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_33_1_1_1_00_1043481422","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_33_0_1_1_00_1043481422","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_33_1_1_1_00_1043481422"}
},
{
"Subject ID":"1043481422",
"Sample ID":"RPMI_3",
"Factors":{"Sample source":"Supernatants of HEC-1-A cancer cells","Treatment":"Non infected Non treated"},
"Additional sample data":{"Sample type":"Infection medium (RPMI)","RAW_FILE_NAME(LCMS_Pos)":"MXP500L-0-5712_1043481388_21_0_1_1_00_1043481422","RAW_FILE_NAME(LCMS_Neg)":"MXP500L-0-5712_1043481388_21_1_1_1_00_1043481422","RAW_FILE_NAME(FIA_FIA1)":"MXP500L-0-5712_1043481437_21_0_1_1_00_1043481422","RAW_FILE_NAME(FIA_FIA2)":"MXP500L-0-5712_1043481437_21_1_1_1_00_1043481422"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"HEC-1-A supernatants were inoculated or not with WT or mFabT strains during 8 or 16 h. The metabolite composition of these supernatants was analyzed by Proteigene (https://proteigene.com) using MxP® Quant 500 kit (Biocrates) by two analytical methods, LC-MS/MS for small molecules and FIA-MS/MS for lipids. This analysis was repeated on 3 independent series of supernatants. These analyses have a defined detection threshold (LOD) for each family of metabolite. You can found in attachment the raw folders and sample informations.","SAMPLE_TYPE":"Bacterial cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"HEC-1-A supernatants were inoculated or not with WT or mFabT strains during 8 or 16 h."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"HEC-1-A supernatants were inoculated or not with WT or mFabT strains during 8 or 16 h. The metabolite composition of these supernatants was analyzed by Proteigene (https://proteigene.com) using MxP® Quant 500 kit (Biocrates) by two analytical methods, LC-MS/MS for small molecules and FIA-MS/MS for lipids. This analysis was repeated on 3 independent series of supernatants. These analyses have a defined detection threshold (LOD) for each family of metabolite."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Exion LC AD","COLUMN_NAME":"Biocrates MxP500 column (50 x 2.1 mm)","SOLVENT_A":"100% water; 0.2% formic acid","SOLVENT_B":"100% acetonitrile; 0.2% formic acid","FLOW_GRADIENT":"0.8ml/min: 0-0.25min: 0%B, 0.25-1.5min: 12%B, 1.5-2.7min: 17.5%B, 2.7-4min: 50%B, 4-4.5min: 100%B, 1ml/min: 4.5-4.7min: 100%B, 4.7-5.0min: 100%B, 5.0-5.1min: 100%B, 0.8ml/min: 5.1-5.8min: 100%B","FLOW_RATE":"0.8 mL/min","COLUMN_TEMPERATURE":"50"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"MELISA"},

"MS":{"INSTRUMENT_NAME":"SCIEX QTRAP 6500+","INSTRUMENT_TYPE":"QTRAP","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"MS acquisition Comments:Ion Mode was Positive and Negative mode. Software : MetIDQ version Oxygen-DB110-3005"},

"MS_METABOLITE_DATA":{
"Units":"µM",

"Data":[{"Metabolite":"Trigonelline","SN_1":"0.05","SN_2":"0.045","SN_3":"0.03","SN inoculated WT-8h_1":"0.07","SN inoculated WT-8h_2":"0.035","SN inoculated WT-8h_3":"0.026","SN inoculated mFabT-8h_1":"0.039","SN inoculated mFabT-8h_2":"0.06","SN inoculated mFabT-8h_3":"0.072","SN inoculated WT-16h_1":"0.073","SN inoculated WT-16h_2":"0.069","SN inoculated WT-16h_3":"0.067","SN inoculated mFabT-16h_1":"0.04","SN inoculated mFabT-16h_2":"0.052","SN inoculated mFabT-16h_3":"0.052","RPMI_1":"0.029","RPMI_2":"0.029","RPMI_3":"0.047"},{"Metabolite":"TMAO","SN_1":"0.071","SN_2":"0.032","SN_3":"0.036","SN inoculated WT-8h_1":"0.014","SN inoculated WT-8h_2":"0.067","SN inoculated WT-8h_3":"0.036","SN inoculated mFabT-8h_1":"0.119","SN inoculated mFabT-8h_2":"0.031","SN inoculated mFabT-8h_3":"0.086","SN inoculated WT-16h_1":"0.038","SN inoculated WT-16h_2":"0.038","SN inoculated WT-16h_3":"0.045","SN inoculated mFabT-16h_1":"0.039","SN inoculated mFabT-16h_2":"0.049","SN inoculated mFabT-16h_3":"0.042","RPMI_1":"0.09","RPMI_2":"0.093","RPMI_3":"0.044"},{"Metabolite":"Ala","SN_1":"38.2","SN_2":"37","SN_3":"39.9","SN inoculated WT-8h_1":"37.4","SN inoculated WT-8h_2":"30.5","SN inoculated WT-8h_3":"39.2","SN inoculated mFabT-8h_1":"37.7","SN inoculated mFabT-8h_2":"36.7","SN inoculated mFabT-8h_3":"38.1","SN inoculated WT-16h_1":"37.1","SN inoculated WT-16h_2":"31.9","SN inoculated WT-16h_3":"39","SN inoculated mFabT-16h_1":"35.1","SN inoculated mFabT-16h_2":"31.5","SN inoculated mFabT-16h_3":"36.6","RPMI_1":"1.28","RPMI_2":"1.31","RPMI_3":"1.31"},{"Metabolite":"Arg","SN_1":"Infinity","SN_2":"Infinity","SN_3":"Infinity","SN inoculated WT-8h_1":"Infinity","SN inoculated WT-8h_2":"Infinity","SN inoculated WT-8h_3":"Infinity","SN inoculated mFabT-8h_1":"Infinity","SN inoculated mFabT-8h_2":"Infinity","SN inoculated mFabT-8h_3":"Infinity","SN inoculated WT-16h_1":"Infinity","SN inoculated WT-16h_2":"Infinity","SN inoculated WT-16h_3":"Infinity","SN inoculated mFabT-16h_1":"Infinity","SN inoculated mFabT-16h_2":"Infinity","SN inoculated mFabT-16h_3":"Infinity","RPMI_1":"Infinity","RPMI_2":"Infinity","RPMI_3":"Infinity"},{"Metabolite":"Asn","SN_1":"375","SN_2":"375","SN_3":"353","SN inoculated WT-8h_1":"392","SN inoculated WT-8h_2":"328","SN inoculated WT-8h_3":"381","SN inoculated mFabT-8h_1":"394","SN inoculated mFabT-8h_2":"378","SN inoculated mFabT-8h_3":"352","SN inoculated WT-16h_1":"371","SN inoculated WT-16h_2":"351","SN inoculated WT-16h_3":"381","SN inoculated mFabT-16h_1":"341","SN inoculated mFabT-16h_2":"301","SN inoculated mFabT-16h_3":"304","RPMI_1":"290","RPMI_2":"242","RPMI_3":"320"},{"Metabolite":"Asp","SN_1":"155","SN_2":"158","SN_3":"154","SN inoculated WT-8h_1":"162","SN inoculated WT-8h_2":"165","SN inoculated WT-8h_3":"168","SN inoculated mFabT-8h_1":"170","SN inoculated mFabT-8h_2":"175","SN inoculated mFabT-8h_3":"164","SN inoculated WT-16h_1":"211","SN inoculated WT-16h_2":"163","SN inoculated WT-16h_3":"183","SN inoculated mFabT-16h_1":"174","SN inoculated mFabT-16h_2":"182","SN inoculated mFabT-16h_3":"189","RPMI_1":"121","RPMI_2":"103","RPMI_3":"134"},{"Metabolite":"Cys","SN_1":"606","SN_2":"667","SN_3":"590","SN inoculated WT-8h_1":"796","SN inoculated WT-8h_2":"592","SN inoculated WT-8h_3":"582","SN inoculated mFabT-8h_1":"648","SN inoculated mFabT-8h_2":"707","SN inoculated mFabT-8h_3":"621","SN inoculated WT-16h_1":"696","SN inoculated WT-16h_2":"553","SN inoculated WT-16h_3":"636","SN inoculated mFabT-16h_1":"713","SN inoculated mFabT-16h_2":"536","SN inoculated mFabT-16h_3":"530","RPMI_1":"487","RPMI_2":"454","RPMI_3":"480"},{"Metabolite":"Gln","SN_1":"4.13","SN_2":"5.16","SN_3":"4.55","SN inoculated WT-8h_1":"3.44","SN inoculated WT-8h_2":"1.78","SN inoculated WT-8h_3":"3.24","SN inoculated mFabT-8h_1":"2.88","SN inoculated mFabT-8h_2":"1.75","SN inoculated mFabT-8h_3":"1.6","SN inoculated WT-16h_1":"1.58","SN inoculated WT-16h_2":"2.6","SN inoculated WT-16h_3":"2.17","SN inoculated mFabT-16h_1":"1.42","SN inoculated mFabT-16h_2":"1.4","SN inoculated mFabT-16h_3":"1.44","RPMI_1":"1.41","RPMI_2":"1.41","RPMI_3":"1.41"},{"Metabolite":"Glu","SN_1":"195","SN_2":"190","SN_3":"182","SN inoculated WT-8h_1":"197","SN inoculated WT-8h_2":"172","SN inoculated WT-8h_3":"196","SN inoculated mFabT-8h_1":"210","SN inoculated mFabT-8h_2":"191","SN inoculated mFabT-8h_3":"182","SN inoculated WT-16h_1":"219","SN inoculated WT-16h_2":"184","SN inoculated WT-16h_3":"196","SN inoculated mFabT-16h_1":"184","SN inoculated mFabT-16h_2":"162","SN inoculated mFabT-16h_3":"174","RPMI_1":"108","RPMI_2":"90.6","RPMI_3":"115"},{"Metabolite":"Gly","SN_1":"180","SN_2":"180","SN_3":"173","SN inoculated WT-8h_1":"185","SN inoculated WT-8h_2":"164","SN inoculated WT-8h_3":"180","SN inoculated mFabT-8h_1":"185","SN inoculated mFabT-8h_2":"186","SN inoculated mFabT-8h_3":"175","SN inoculated WT-16h_1":"190","SN inoculated WT-16h_2":"167","SN inoculated WT-16h_3":"181","SN inoculated 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inoculated mFabT-16h_2":"183","SN inoculated mFabT-16h_3":"187","RPMI_1":"160","RPMI_2":"133","RPMI_3":"169"},{"Metabolite":"Met","SN_1":"60.2","SN_2":"59.5","SN_3":"58.6","SN inoculated WT-8h_1":"63.6","SN inoculated WT-8h_2":"55.7","SN inoculated WT-8h_3":"63.9","SN inoculated mFabT-8h_1":"63.8","SN inoculated mFabT-8h_2":"64.7","SN inoculated mFabT-8h_3":"61.4","SN inoculated WT-16h_1":"66.6","SN inoculated WT-16h_2":"57.5","SN inoculated WT-16h_3":"63.5","SN inoculated mFabT-16h_1":"59.2","SN inoculated mFabT-16h_2":"56.4","SN inoculated mFabT-16h_3":"58.7","RPMI_1":"45.9","RPMI_2":"39.5","RPMI_3":"51.1"},{"Metabolite":"Phe","SN_1":"84.3","SN_2":"87.5","SN_3":"86.8","SN inoculated WT-8h_1":"93.6","SN inoculated WT-8h_2":"80.9","SN inoculated WT-8h_3":"89","SN inoculated mFabT-8h_1":"89.1","SN inoculated mFabT-8h_2":"92.6","SN inoculated mFabT-8h_3":"86.2","SN inoculated WT-16h_1":"94.7","SN inoculated WT-16h_2":"84.4","SN inoculated WT-16h_3":"92.2","SN inoculated 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inoculated mFabT-16h_2":"0.134","SN inoculated mFabT-16h_3":"0.184","RPMI_1":"0.132","RPMI_2":"0.138","RPMI_3":"0.195"},{"Metabolite":"Carnosine","SN_1":"0.056","SN_2":"0.055","SN_3":"0.059","SN inoculated WT-8h_1":"0.057","SN inoculated WT-8h_2":"0.056","SN inoculated WT-8h_3":"0.057","SN inoculated mFabT-8h_1":"0.057","SN inoculated mFabT-8h_2":"0.058","SN inoculated mFabT-8h_3":"0.054","SN inoculated WT-16h_1":"0.057","SN inoculated WT-16h_2":"0.057","SN inoculated WT-16h_3":"0.058","SN inoculated mFabT-16h_1":"0.055","SN inoculated mFabT-16h_2":"0.055","SN inoculated mFabT-16h_3":"0.058","RPMI_1":"0.055","RPMI_2":"0.056","RPMI_3":"0.056"},{"Metabolite":"Cit","SN_1":"0.306","SN_2":"0.342","SN_3":"0.301","SN inoculated WT-8h_1":"0.28","SN inoculated WT-8h_2":"0.305","SN inoculated WT-8h_3":"0.294","SN inoculated mFabT-8h_1":"0.288","SN inoculated mFabT-8h_2":"0.331","SN inoculated mFabT-8h_3":"0.311","SN inoculated WT-16h_1":"0.558","SN inoculated WT-16h_2":"0.312","SN inoculated 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inoculated WT-8h_3":"0.206","SN inoculated mFabT-8h_1":"0.225","SN inoculated mFabT-8h_2":"0.24","SN inoculated mFabT-8h_3":"0.228","SN inoculated WT-16h_1":"0.236","SN inoculated WT-16h_2":"0.207","SN inoculated WT-16h_3":"0.22","SN inoculated mFabT-16h_1":"0.201","SN inoculated mFabT-16h_2":"0.209","SN inoculated mFabT-16h_3":"0.196","RPMI_1":"0.164","RPMI_2":"0.152","RPMI_3":"0.172"},{"Metabolite":"Suc","SN_1":"0.44","SN_2":"0.418","SN_3":"0.408","SN inoculated WT-8h_1":"0.454","SN inoculated WT-8h_2":"0.426","SN inoculated WT-8h_3":"0.443","SN inoculated mFabT-8h_1":"0.388","SN inoculated mFabT-8h_2":"0.485","SN inoculated mFabT-8h_3":"0.443","SN inoculated WT-16h_1":"0.454","SN inoculated WT-16h_2":"0.413","SN inoculated WT-16h_3":"0.38","SN inoculated mFabT-16h_1":"0.392","SN inoculated mFabT-16h_2":"0.363","SN inoculated mFabT-16h_3":"0.389","RPMI_1":"0.4","RPMI_2":"0.37","RPMI_3":"0.32"},{"Metabolite":"p-Cresol-SO4","SN_1":"0.013","SN_2":"0.016","SN_3":"0.012","SN inoculated 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WT-16h_2":"0.078","SN inoculated WT-16h_3":"0.085","SN inoculated mFabT-16h_1":"0.089","SN inoculated mFabT-16h_2":"0.08","SN inoculated mFabT-16h_3":"0.1","RPMI_1":"0.095","RPMI_2":"0.093","RPMI_3":"0.129"},{"Metabolite":"3-IPA","SN_1":"0.013","SN_2":"0.011","SN_3":"0.013","SN inoculated WT-8h_1":"0.008","SN inoculated WT-8h_2":"0.009","SN inoculated WT-8h_3":"0.013","SN inoculated mFabT-8h_1":"0.008","SN inoculated mFabT-8h_2":"0.017","SN inoculated mFabT-8h_3":"0.011","SN inoculated WT-16h_1":"0.011","SN inoculated WT-16h_2":"0.01","SN inoculated WT-16h_3":"0.011","SN inoculated mFabT-16h_1":"0.008","SN inoculated mFabT-16h_2":"0.009","SN inoculated mFabT-16h_3":"0.012","RPMI_1":"0.011","RPMI_2":"0.011","RPMI_3":"0.01"},{"Metabolite":"Ind-SO4","SN_1":"0.004","SN_2":"0.001","SN_3":"0.003","SN inoculated WT-8h_1":"0.003","SN inoculated WT-8h_2":"0.004","SN inoculated WT-8h_3":"0.004","SN inoculated mFabT-8h_1":"0.003","SN inoculated mFabT-8h_2":"0.009","SN inoculated mFabT-8h_3":"0.001","SN inoculated WT-16h_1":"0.004","SN inoculated WT-16h_2":"0.007","SN inoculated WT-16h_3":"0.006","SN inoculated mFabT-16h_1":"0.005","SN inoculated mFabT-16h_2":"0.003","SN inoculated mFabT-16h_3":"0.005","RPMI_1":"0.003","RPMI_2":"0.003","RPMI_3":"0.008"},{"Metabolite":"Indole","SN_1":"106","SN_2":"93.8","SN_3":"98.8","SN inoculated WT-8h_1":"102","SN inoculated WT-8h_2":"96.9","SN inoculated WT-8h_3":"88.7","SN inoculated mFabT-8h_1":"102","SN inoculated mFabT-8h_2":"106","SN inoculated mFabT-8h_3":"75.4","SN inoculated WT-16h_1":"107","SN inoculated WT-16h_2":"90.9","SN inoculated WT-16h_3":"94.8","SN inoculated mFabT-16h_1":"92.2","SN inoculated mFabT-16h_2":"69.5","SN inoculated mFabT-16h_3":"83.2","RPMI_1":"96.7","RPMI_2":"85.2","RPMI_3":"89.3"},{"Metabolite":"Hypoxanthine","SN_1":"0.171","SN_2":"0.248","SN_3":"0.186","SN inoculated WT-8h_1":"0.148","SN inoculated WT-8h_2":"0.07","SN inoculated WT-8h_3":"0.092","SN inoculated mFabT-8h_1":"0.122","SN inoculated mFabT-8h_2":"0.078","SN inoculated mFabT-8h_3":"0.087","SN inoculated WT-16h_1":"0.078","SN inoculated WT-16h_2":"0.143","SN inoculated WT-16h_3":"0.085","SN inoculated mFabT-16h_1":"0.075","SN inoculated mFabT-16h_2":"0.068","SN inoculated mFabT-16h_3":"0.063","RPMI_1":"0.044","RPMI_2":"0.056","RPMI_3":"0.062"},{"Metabolite":"Xanthine","SN_1":"0.338","SN_2":"0.374","SN_3":"0.317","SN inoculated WT-8h_1":"0.305","SN inoculated WT-8h_2":"0.106","SN inoculated WT-8h_3":"0.241","SN inoculated mFabT-8h_1":"0.281","SN inoculated mFabT-8h_2":"0.137","SN inoculated mFabT-8h_3":"0.102","SN inoculated WT-16h_1":"0.097","SN inoculated WT-16h_2":"0.26","SN inoculated WT-16h_3":"0.182","SN inoculated mFabT-16h_1":"0.082","SN inoculated mFabT-16h_2":"0.067","SN inoculated mFabT-16h_3":"0.087","RPMI_1":"0.055","RPMI_2":"0.069","RPMI_3":"0.057"},{"Metabolite":"H1","SN_1":"9672","SN_2":"9746","SN_3":"9962","SN inoculated WT-8h_1":"10393","SN inoculated WT-8h_2":"9172","SN inoculated WT-8h_3":"10093","SN inoculated mFabT-8h_1":"10243","SN inoculated mFabT-8h_2":"9859","SN inoculated mFabT-8h_3":"10215","SN inoculated WT-16h_1":"10244","SN inoculated WT-16h_2":"9217","SN inoculated WT-16h_3":"10213","SN inoculated mFabT-16h_1":"9411","SN inoculated mFabT-16h_2":"8581","SN inoculated mFabT-16h_3":"8967","RPMI_1":"8212","RPMI_2":"6915","RPMI_3":"8642"},{"Metabolite":"Choline","SN_1":"13.1","SN_2":"13.3","SN_3":"13.1","SN inoculated WT-8h_1":"14.4","SN inoculated WT-8h_2":"12.7","SN inoculated WT-8h_3":"13.7","SN inoculated mFabT-8h_1":"14.1","SN inoculated mFabT-8h_2":"14.4","SN inoculated mFabT-8h_3":"13.5","SN inoculated WT-16h_1":"14","SN inoculated WT-16h_2":"12.7","SN inoculated WT-16h_3":"14.4","SN inoculated mFabT-16h_1":"13.2","SN inoculated mFabT-16h_2":"12.3","SN inoculated mFabT-16h_3":"12.8","RPMI_1":"11.2","RPMI_2":"10.1","RPMI_3":"12.3"}],

"Metabolites":[{"Metabolite":"Trigonelline","Class":"Alkaloids","Limit of detection [µM]":"0.393"},{"Metabolite":"TMAO","Class":"Amine Oxides","Limit of detection [µM]":"0.297"},{"Metabolite":"Ala","Class":"Aminoacids","Limit of detection [µM]":"469"},{"Metabolite":"Arg","Class":"Aminoacids","Limit of detection [µM]":"81.3"},{"Metabolite":"Asn","Class":"Aminoacids","Limit of detection [µM]":"102"},{"Metabolite":"Asp","Class":"Aminoacids","Limit of detection [µM]":"153"},{"Metabolite":"Cys","Class":"Aminoacids","Limit of detection [µM]":"2084"},{"Metabolite":"Gln","Class":"Aminoacids","Limit of detection [µM]":"112"},{"Metabolite":"Glu","Class":"Aminoacids","Limit of detection [µM]":"386"},{"Metabolite":"Gly","Class":"Aminoacids","Limit of detection [µM]":"103"},{"Metabolite":"His","Class":"Aminoacids","Limit of detection [µM]":"20.1"},{"Metabolite":"Ile","Class":"Aminoacids","Limit of detection [µM]":"205"},{"Metabolite":"Leu","Class":"Aminoacids","Limit of detection [µM]":"377"},{"Metabolite":"Lys","Class":"Aminoacids","Limit of detection [µM]":"104"},{"Metabolite":"Met","Class":"Aminoacids","Limit of detection [µM]":"44.6"},{"Metabolite":"Phe","Class":"Aminoacids","Limit of detection [µM]":"126"},{"Metabolite":"Pro","Class":"Aminoacids","Limit of detection [µM]":"93.8"},{"Metabolite":"Ser","Class":"Aminoacids","Limit of detection [µM]":"156"},{"Metabolite":"Thr","Class":"Aminoacids","Limit of detection [µM]":"116"},{"Metabolite":"Trp","Class":"Aminoacids","Limit of detection [µM]":"18.5"},{"Metabolite":"Tyr","Class":"Aminoacids","Limit of detection [µM]":"42.2"},{"Metabolite":"Val","Class":"Aminoacids","Limit of detection [µM]":"242"},{"Metabolite":"1-Met-His","Class":"Aminoacids Related","Limit of detection [µM]":"0.073"},{"Metabolite":"3-Met-His","Class":"Aminoacids Related","Limit of detection [µM]":"0.034"},{"Metabolite":"5-AVA","Class":"Aminoacids Related","Limit of detection [µM]":"5.02"},{"Metabolite":"AABA","Class":"Aminoacids Related","Limit of detection [µM]":"13"},{"Metabolite":"Ac-Orn","Class":"Aminoacids Related","Limit of detection [µM]":"0.559"},{"Metabolite":"ADMA","Class":"Aminoacids Related","Limit of detection [µM]":"0.379"},{"Metabolite":"alpha-AAA","Class":"Aminoacids Related","Limit of detection [µM]":"1.15"},{"Metabolite":"Anserine","Class":"Aminoacids Related","Limit of detection [µM]":"0.205"},{"Metabolite":"BABA","Class":"Aminoacids Related","Limit of detection [µM]":"0.155"},{"Metabolite":"Betaine","Class":"Aminoacids Related","Limit of detection [µM]":"72"},{"Metabolite":"c4-OH-Pro","Class":"Aminoacids Related","Limit of detection [µM]":"2.03"},{"Metabolite":"Carnosine","Class":"Aminoacids Related","Limit of detection [µM]":"0.209"},{"Metabolite":"Cit","Class":"Aminoacids Related","Limit of detection [µM]":"18.7"},{"Metabolite":"Creatinine","Class":"Aminoacids Related","Limit of detection [µM]":"4.62"},{"Metabolite":"Cystine","Class":"Aminoacids Related","Limit of detection [µM]":"0.315"},{"Metabolite":"DOPA","Class":"Aminoacids Related","Limit of detection [µM]":"0.206"},{"Metabolite":"HArg","Class":"Aminoacids Related","Limit of detection [µM]":"0.099"},{"Metabolite":"HCys","Class":"Aminoacids Related","Limit of detection [µM]":"26.5"},{"Metabolite":"Kynurenine","Class":"Aminoacids Related","Limit of detection [µM]":"0.285"},{"Metabolite":"Met-SO","Class":"Aminoacids Related","Limit of detection [µM]":"27.9"},{"Metabolite":"Nitro-Tyr","Class":"Aminoacids Related","Limit of detection [µM]":"0.235"},{"Metabolite":"Orn","Class":"Aminoacids Related","Limit of detection [µM]":"27.2"},{"Metabolite":"PAG","Class":"Aminoacids Related","Limit of detection [µM]":"0.29"},{"Metabolite":"PheAlaBetaine","Class":"Aminoacids Related","Limit of detection [µM]":"0.015"},{"Metabolite":"ProBetaine","Class":"Aminoacids Related","Limit of detection [µM]":"0.543"},{"Metabolite":"Sarcosine","Class":"Aminoacids Related","Limit of detection [µM]":"0.125"},{"Metabolite":"SDMA","Class":"Aminoacids Related","Limit of detection [µM]":"0.187"},{"Metabolite":"t4-OH-Pro","Class":"Aminoacids Related","Limit of detection [µM]":"3.76"},{"Metabolite":"Taurine","Class":"Aminoacids Related","Limit of detection [µM]":"19.3"},{"Metabolite":"TrpBetaine","Class":"Aminoacids Related","Limit of detection [µM]":"0.03"},{"Metabolite":"CA","Class":"Bile Acids","Limit of detection [µM]":"0.024"},{"Metabolite":"CDCA","Class":"Bile Acids","Limit of detection [µM]":"0.074"},{"Metabolite":"DCA","Class":"Bile Acids","Limit of detection [µM]":"0.011"},{"Metabolite":"GCA","Class":"Bile Acids","Limit of detection [µM]":"0.072"},{"Metabolite":"GCDCA","Class":"Bile Acids","Limit of detection [µM]":"0.013"},{"Metabolite":"GDCA","Class":"Bile Acids","Limit of detection [µM]":"0.008"},{"Metabolite":"GLCA","Class":"Bile Acids","Limit of detection [µM]":"0.003"},{"Metabolite":"GLCAS","Class":"Bile Acids","Limit of detection [µM]":"0"},{"Metabolite":"GUDCA","Class":"Bile Acids","Limit of detection [µM]":"0.009"},{"Metabolite":"TCA","Class":"Bile Acids","Limit of detection [µM]":"0.109"},{"Metabolite":"TCDCA","Class":"Bile Acids","Limit of detection [µM]":"0.009"},{"Metabolite":"TDCA","Class":"Bile Acids","Limit of detection [µM]":"0.002"},{"Metabolite":"TLCA","Class":"Bile Acids","Limit of detection [µM]":"0.001"},{"Metabolite":"TMCA","Class":"Bile Acids","Limit of detection [µM]":"0.002"},{"Metabolite":"beta-Ala","Class":"Biogenic Amines","Limit of detection [µM]":"38"},{"Metabolite":"Dopamine","Class":"Biogenic Amines","Limit of detection [µM]":"0.322"},{"Metabolite":"GABA","Class":"Biogenic Amines","Limit of detection [µM]":"11.1"},{"Metabolite":"Histamine","Class":"Biogenic Amines","Limit of detection [µM]":"0.513"},{"Metabolite":"PEA","Class":"Biogenic Amines","Limit of detection [µM]":"0.139"},{"Metabolite":"Putrescine","Class":"Biogenic Amines","Limit of detection [µM]":"0.07"},{"Metabolite":"Serotonin","Class":"Biogenic Amines","Limit of detection [µM]":"0.077"},{"Metabolite":"Spermidine","Class":"Biogenic Amines","Limit of detection [µM]":"0.847"},{"Metabolite":"Spermine","Class":"Biogenic Amines","Limit of detection [µM]":"0.519"},{"Metabolite":"AconAcid","Class":"Carboxylic Acids","Limit of detection [µM]":"0.143"},{"Metabolite":"DiCA(12:0)","Class":"Carboxylic Acids","Limit of detection [µM]":"0.238"},{"Metabolite":"DiCA(14:0)","Class":"Carboxylic Acids","Limit of detection [µM]":"0.173"},{"Metabolite":"HipAcid","Class":"Carboxylic Acids","Limit of detection [µM]":"1.18"},{"Metabolite":"Lac","Class":"Carboxylic Acids","Limit of detection [µM]":"2664"},{"Metabolite":"OH-GlutAcid","Class":"Carboxylic Acids","Limit of detection [µM]":"0.575"},{"Metabolite":"Suc","Class":"Carboxylic Acids","Limit of detection [µM]":"13.3"},{"Metabolite":"p-Cresol-SO4","Class":"Cresols","Limit of detection [µM]":"0.01"},{"Metabolite":"AbsAcid","Class":"Hormones","Limit of detection [µM]":"0.087"},{"Metabolite":"Cortisol","Class":"Hormones","Limit of detection [µM]":"0.122"},{"Metabolite":"Cortisone","Class":"Hormones","Limit of detection [µM]":"0.204"},{"Metabolite":"DHEAS","Class":"Hormones","Limit of detection [µM]":"0.04"},{"Metabolite":"3-IAA","Class":"Indoles Derivatives","Limit of detection [µM]":"0.336"},{"Metabolite":"3-IPA","Class":"Indoles Derivatives","Limit of detection [µM]":"0.081"},{"Metabolite":"Ind-SO4","Class":"Indoles Derivatives","Limit of detection [µM]":"0.014"},{"Metabolite":"Indole","Class":"Indoles Derivatives","Limit of detection [µM]":"353"},{"Metabolite":"Hypoxanthine","Class":"Nucleobases Related","Limit of detection [µM]":"5.36"},{"Metabolite":"Xanthine","Class":"Nucleobases Related","Limit of detection [µM]":"2.64"},{"Metabolite":"H1","Class":"Sugars","Limit of detection [µM]":"529"},{"Metabolite":"Choline","Class":"Vitamins & Cofactors","Limit of detection [µM]":"10.3"}]
}

}