{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000926","ANALYSIS_ID":"AN001519","VERSION":"1","CREATED_ON":"January 25, 2018, 10:23 am"},

"PROJECT":{"PROJECT_TITLE":"Breast Cancer Metabolism","PROJECT_SUMMARY":"The program comprises three project areas utilizing stable isotope resolved metabolomics to gain a mechanistic understanding of NSCLC in situ. The projects combine cell culture, animal models and human subjects to define the influence of the tumor microenvironment on cancer progression.","INSTITUTE":"University of Kentucky","LAST_NAME":"Lane","FIRST_NAME":"Andrew","ADDRESS":"Rm 516 Biopharm Complex, 789 S. Limestone St.,Univ. of Kentucky, Lexington, KY 40536","EMAIL":"andrewlane@gmail.com","PHONE":"8592182868"},

"STUDY":{"STUDY_TITLE":"Probing the metabolic phenotype of breast cancer cells by multiple tracer stable isotope resolved metabolomics (part I)","STUDY_SUMMARY":"Breast cancers vary by their origin and specific set of genetic lesions, which gives rise to distinct phenotypes and differential response to targeted and untargeted chemotherapies. To explore the functional differences of different breast cell types, we performed Stable Isotope Resolved Metabolomics (SIRM) studies of one primary breast (HMEC) and three breast cancer cells (MCF-7, MDAMB-231, and ZR75-1) having distinct genotypes and growth characteristics, using 13C6-glucose, 13C-1+2-glucose, 13C5,15N2-Gln, 13C3-glycerol, and 13C8-octanoate as tracers. These tracers were designed to probe the central energy producing and anabolic pathways (glycolysis, pentose phosphate pathway, Krebs Cycle, glutaminolysis, nucleotide synthesis and lipid turnover). We found that glycolysis was not associated with the rate of breast cancer cell proliferation, glutaminolysis did not support lipid synthesis in primary breast or breast cancer cells, but was a major contributor to pyrimidine ring synthesis in all cell types; anaplerotic pyruvate carboxylation was activated in breast cancer versus primary cells. We also found that glucose metabolism in individual breast cancer cell lines differed between in vitro cultures and tumor xenografts, but not the metabolic distinctions between cell lines, which may reflect the influence of tumor architecture/microenvironment.","INSTITUTE":"University of Kentucky","LAST_NAME":"Lane","FIRST_NAME":"Andrew","ADDRESS":"Rm 516 Biopharm Complex, 789 S. Limestone St.,Univ. of Kentucky, Lexington, KY 40536","EMAIL":"andrewlane@gmail.com","PHONE":"8592182868"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"HMEC_13C1_2Glc_Ctl_toc50",
"Factors":{"Cell Line":"HMEC"},
"Additional sample data":{"Tracer_Abbreviated":"1,2-C13-Glc","Tracer":"C-1 and C-2 Labelled Glucose","Cancer":"Not Cancer"}
},
{
"Subject ID":"-",
"Sample ID":"MDAMB231C12ctl_toc",
"Factors":{"Cell Line":"MDA-MB-231"},
"Additional sample data":{"Tracer_Abbreviated":"1,2-C13-Glc","Tracer":"C-1 and C-2 Labelled Glucose","Cancer":"Cancer"}
},
{
"Subject ID":"-",
"Sample ID":"MCF7_13C1_2Glc_MSA_toc50",
"Factors":{"Cell Line":"MCF-7"},
"Additional sample data":{"Tracer_Abbreviated":"1,2-C13-Glc","Tracer":"C-1 and C-2 Labelled Glucose","Cancer":"Cancer"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cells were cultured in various media then harvested after 24 hours.","SAMPLE_TYPE":"Cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"None"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Cell lines are seperated into polar, non-polar, protein, and media."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"-","INSTRUMENT_NAME":"-","COLUMN_NAME":"-"},

"ANALYSIS":{"ANALYSIS_TYPE":"NMR"},

"NM":{"INSTRUMENT_NAME":"INOVA","INSTRUMENT_TYPE":"CW-NMR","NMR_EXPERIMENT_TYPE":"Other","SPECTROMETER_FREQUENCY":"800 MHz"},

"NMR_METABOLITE_DATA":{
"Units":"area",

"Data":[{"Metabolite":"AXP-1'","HMEC_13C1_2Glc_Ctl_toc50":"884.3108564","MCF7_13C1_2Glc_MSA_toc50":"1943.991574","MDAMB231C12ctl_toc":"1055.396932"},{"Metabolite":"AXP-1' 13C-A","HMEC_13C1_2Glc_Ctl_toc50":"211.1878055","MCF7_13C1_2Glc_MSA_toc50":"518.9944154","MDAMB231C12ctl_toc":"378.4871942"},{"Metabolite":"AXP-1' 13C-B","HMEC_13C1_2Glc_Ctl_toc50":"207.6454335","MCF7_13C1_2Glc_MSA_toc50":"557.2099936","MDAMB231C12ctl_toc":"340.4890171"},{"Metabolite":"AXP-2' 13C-A","HMEC_13C1_2Glc_Ctl_toc50":"405.3317205","MCF7_13C1_2Glc_MSA_toc50":"386.0306703","MDAMB231C12ctl_toc":"297.9435694"},{"Metabolite":"AXP-2' 13C-B","HMEC_13C1_2Glc_Ctl_toc50":"261.1339004","MCF7_13C1_2Glc_MSA_toc50":"342.8770157","MDAMB231C12ctl_toc":"262.1082613"},{"Metabolite":"UXP-1'","HMEC_13C1_2Glc_Ctl_toc50":"1395.836977","MCF7_13C1_2Glc_MSA_toc50":"3326.978039","MDAMB231C12ctl_toc":"2110.302819"},{"Metabolite":"UXP-1' 13C-A","HMEC_13C1_2Glc_Ctl_toc50":"273.391216","MCF7_13C1_2Glc_MSA_toc50":"1261.528519","MDAMB231C12ctl_toc":"960.1687215"},{"Metabolite":"UXP-1' 13C-B","HMEC_13C1_2Glc_Ctl_toc50":"223.1022592","MCF7_13C1_2Glc_MSA_toc50":"1273.602447","MDAMB231C12ctl_toc":"893.9571077"},{"Metabolite":"UXP-2' 13C-A","HMEC_13C1_2Glc_Ctl_toc50":"377.1720631","MCF7_13C1_2Glc_MSA_toc50":"507.1312266","MDAMB231C12ctl_toc":"357.0022393"},{"Metabolite":"UXP-2' 13C-B","HMEC_13C1_2Glc_Ctl_toc50":"351.1434548","MCF7_13C1_2Glc_MSA_toc50":"559.3359393","MDAMB231C12ctl_toc":"403.0921132"}],

"Metabolites":[{"Metabolite":"AXP-1'","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":"","Common Name":"Adenosine Phosphates","Hydrogen Number":"1","Isotope":"12C","PPM Range (1)":"4.79170253811575 - 4.798012381","PPM Range (2)":"6.19048454074072 - 6.206438861"},{"Metabolite":"AXP-1' 13C-A","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":"","Common Name":"Adenosine Phosphates","Hydrogen Number":"1","Isotope":"13C","PPM Range (1)":"4.79243083416649 - 4.799781414","PPM Range (2)":"6.04710978333285 - 6.065293797"},{"Metabolite":"AXP-1' 13C-B","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":"","Common Name":"Adenosine Phosphates","Hydrogen Number":"1","Isotope":"13C","PPM Range (1)":"4.78860889596561 - 4.796593304","PPM Range (2)":"6.32930483403642 - 6.34593885"},{"Metabolite":"AXP-2' 13C-A","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":"","Common Name":"Adenosine Phosphates","Hydrogen Number":"2","Isotope":"13C","PPM Range (1)":"4.66496300459883 - 4.683456738","PPM Range (2)":"6.19311305682752 - 6.208786156"},{"Metabolite":"AXP-2' 13C-B","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":"","Common Name":"Adenosine Phosphates","Hydrogen Number":"2","Isotope":"13C","PPM Range (1)":"4.91438746129748 - 4.936932334","PPM Range (2)":"6.18735561411309 - 6.203440261"},{"Metabolite":"UXP-1'","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":"","Common Name":"Uridine Phosphates","Hydrogen Number":"1","Isotope":"12C","PPM Range (1)":"4.33496306906378 - 4.363180841","PPM Range (2)":"5.95309996705757 - 5.982801171"},{"Metabolite":"UXP-1' 13C-A","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":"","Common Name":"Uridine Phosphates","Hydrogen Number":"1","Isotope":"13C","PPM Range (1)":"4.3357775558663 - 4.365019251","PPM Range (2)":"5.80865161546149 - 5.840008113"},{"Metabolite":"UXP-1' 13C-B","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":"","Common Name":"Uridine Phosphates","Hydrogen Number":"1","Isotope":"13C","PPM Range (1)":"4.33220162843475 - 4.366091787","PPM Range (2)":"6.09292618319445 - 6.123122931"},{"Metabolite":"UXP-2' 13C-A","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":"","Common Name":"Uridine Phosphates","Hydrogen Number":"2","Isotope":"13C","PPM Range (1)":"4.20672169741188 - 4.255310679","PPM Range (2)":"5.95295381524286 - 5.985094849"},{"Metabolite":"UXP-2' 13C-B","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":"","Common Name":"Uridine Phosphates","Hydrogen Number":"2","Isotope":"13C","PPM Range (1)":"4.45427821629896 - 4.486756248","PPM Range (2)":"5.94769401298603 - 5.979512045"}]
}

}