{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002265","ANALYSIS_ID":"AN003700","VERSION":"1","CREATED_ON":"August 23, 2022, 10:06 am"},

"PROJECT":{"PROJECT_TITLE":"Multi-omic analysis reveals bacteria may have a role in dental erosion","PROJECT_TYPE":"Research Study","PROJECT_SUMMARY":"NMR was performed on 11 saliva samples; 5 from participants classified as having dental erosion and 6 from healthy control participants with no dental erosion to assess the differences in metabolome between the two groups. NMR analysis alone revealed no significant differences between the dental erosion and healthy controls. However, bacterial mRNA sequencing of the oral microbiome from the same saliva samples was performed and the bacterial gene expression profiles was correlated to metabolite concentrations in the groups. The dental erosion group had strong correlations between metabolites associated with protein degradation and amino acid fermentation (formate, butyrate, propionate, 5-aminopentanoate, acetate, glycine, phenylalanine, dimethyl sulfone) and increased activity of species including 4 Prevotella species, Actinomyces graevenitzii, Tannerella species, and 2 Selenomas species, to name a few. Whereas in the healthy control group, the only positive correlations between metabolite concentrations and bacterial activity was for urea and 5-aminopentanoate; urea was positively correlated with Aggregatibacter actinomycetecomytans, Lysinibacillus fusiformis, and Veillonella tobetsuensis, and 5-aminopentanoate was positively correlated with 3 different Leptotrichia species, Streptococcus parasanguinis, and 2 Prevotella species.","INSTITUTE":"King's College London","DEPARTMENT":"Centre for Host Microbiome Interactions","LAST_NAME":"Cleaver","FIRST_NAME":"Leanne","ADDRESS":"Floor 17, Tower Wing, Guy's Hospital, King's College London, Great Maze Pond","EMAIL":"leanne.cleaver@kcl.ac.uk","PHONE":"07464626438"},

"STUDY":{"STUDY_TITLE":"Multi-omic analysis reveals bacteria may have a role in dental erosion","STUDY_TYPE":"Research Study","STUDY_SUMMARY":"NMR was performed on 11 saliva samples; 5 from participants classified as having dental erosion and 6 from healthy control participants with no dental erosion to assess the differences in metabolome between the two groups. NMR analysis alone revealed no significant differences between the dental erosion and healthy controls. However, bacterial mRNA sequencing of the oral microbiome from the same saliva samples was performed and the bacterial gene expression profiles was correlated to metabolite concentrations in the groups. The dental erosion group had strong correlations between metabolites associated with protein degradation and amino acid fermentation (formate, butyrate, propionate, 5-aminopentanoate, acetate, glycine, phenylalanine, dimethyl sulfone) and increased activity of species including 4 Prevotella species, Actinomyces graevenitzii, Tannerella species, and 2 Selenomas species, to name a few. Whereas in the healthy control group, the only positive correlations between metabolite concentrations and bacterial activity was for urea and 5-aminopentanoate; urea was positively correlated with Aggregatibacter actinomycetecomytans, Lysinibacillus fusiformis, and Veillonella tobetsuensis, and 5-aminopentanoate was positively correlated with 3 different Leptotrichia species, Streptococcus parasanguinis, and 2 Prevotella species.","INSTITUTE":"King's College London","LAST_NAME":"Cleaver","FIRST_NAME":"Leanne","ADDRESS":"Floor 17, Tower Wing, Guy's Hospital, King's College London, Great Maze Pond","EMAIL":"leanne.cleaver@kcl.ac.uk","PHONE":"07464626438","NUM_GROUPS":"2","TOTAL_SUBJECTS":"11"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Sterile Saliva",
"Factors":{"Sample Type":"Sterile Saliva"},
"Additional sample data":{"RAW_FILE_NAME":"10"}
},
{
"Subject ID":"-",
"Sample ID":"SE1 1",
"Factors":{"Sample Type":"Erosion 1"},
"Additional sample data":{"RAW_FILE_NAME":"20"}
},
{
"Subject ID":"-",
"Sample ID":"SE1 2",
"Factors":{"Sample Type":"Erosion 1"},
"Additional sample data":{"RAW_FILE_NAME":"30"}
},
{
"Subject ID":"-",
"Sample ID":"SE1 3",
"Factors":{"Sample Type":"Erosion 1"},
"Additional sample data":{"RAW_FILE_NAME":"40"}
},
{
"Subject ID":"-",
"Sample ID":"SE2 1",
"Factors":{"Sample Type":"Erosion 2"},
"Additional sample data":{"RAW_FILE_NAME":"50"}
},
{
"Subject ID":"-",
"Sample ID":"SE2 2",
"Factors":{"Sample Type":"Erosion 2"},
"Additional sample data":{"RAW_FILE_NAME":"60"}
},
{
"Subject ID":"-",
"Sample ID":"SE2 3",
"Factors":{"Sample Type":"Erosion 2"},
"Additional sample data":{"RAW_FILE_NAME":"70"}
},
{
"Subject ID":"-",
"Sample ID":"SE3 1",
"Factors":{"Sample Type":"Erosion 3"},
"Additional sample data":{"RAW_FILE_NAME":"80"}
},
{
"Subject ID":"-",
"Sample ID":"SE3 2",
"Factors":{"Sample Type":"Erosion 3"},
"Additional sample data":{"RAW_FILE_NAME":"90"}
},
{
"Subject ID":"-",
"Sample ID":"SE3 3",
"Factors":{"Sample Type":"Erosion 3"},
"Additional sample data":{"RAW_FILE_NAME":"100"}
},
{
"Subject ID":"-",
"Sample ID":"SE4 1",
"Factors":{"Sample Type":"Erosion 4"},
"Additional sample data":{"RAW_FILE_NAME":"110"}
},
{
"Subject ID":"-",
"Sample ID":"SE4 2",
"Factors":{"Sample Type":"Erosion 4"},
"Additional sample data":{"RAW_FILE_NAME":"120"}
},
{
"Subject ID":"-",
"Sample ID":"SE4 3",
"Factors":{"Sample Type":"Erosion 4"},
"Additional sample data":{"RAW_FILE_NAME":"130"}
},
{
"Subject ID":"-",
"Sample ID":"SE5 1",
"Factors":{"Sample Type":"Erosion 5"},
"Additional sample data":{"RAW_FILE_NAME":"140"}
},
{
"Subject ID":"-",
"Sample ID":"SE5 2",
"Factors":{"Sample Type":"Erosion 5"},
"Additional sample data":{"RAW_FILE_NAME":"150"}
},
{
"Subject ID":"-",
"Sample ID":"SE5 3",
"Factors":{"Sample Type":"Erosion 5"},
"Additional sample data":{"RAW_FILE_NAME":"160"}
},
{
"Subject ID":"-",
"Sample ID":"SH1 1",
"Factors":{"Sample Type":"Healthy 1"},
"Additional sample data":{"RAW_FILE_NAME":"170"}
},
{
"Subject ID":"-",
"Sample ID":"SH1 2",
"Factors":{"Sample Type":"Healthy 1"},
"Additional sample data":{"RAW_FILE_NAME":"180"}
},
{
"Subject ID":"-",
"Sample ID":"SH1 3",
"Factors":{"Sample Type":"Healthy 1"},
"Additional sample data":{"RAW_FILE_NAME":"190"}
},
{
"Subject ID":"-",
"Sample ID":"SH2 1",
"Factors":{"Sample Type":"Healthy 2"},
"Additional sample data":{"RAW_FILE_NAME":"200"}
},
{
"Subject ID":"-",
"Sample ID":"SH2 2",
"Factors":{"Sample Type":"Healthy 2"},
"Additional sample data":{"RAW_FILE_NAME":"210"}
},
{
"Subject ID":"-",
"Sample ID":"SH2 3",
"Factors":{"Sample Type":"Healthy 2"},
"Additional sample data":{"RAW_FILE_NAME":"220"}
},
{
"Subject ID":"-",
"Sample ID":"SH3 1",
"Factors":{"Sample Type":"Healthy 3"},
"Additional sample data":{"RAW_FILE_NAME":"230"}
},
{
"Subject ID":"-",
"Sample ID":"SH3 2",
"Factors":{"Sample Type":"Healthy 3"},
"Additional sample data":{"RAW_FILE_NAME":"240"}
},
{
"Subject ID":"-",
"Sample ID":"SH3 3",
"Factors":{"Sample Type":"Healthy 3"},
"Additional sample data":{"RAW_FILE_NAME":"250"}
},
{
"Subject ID":"-",
"Sample ID":"SH4 1",
"Factors":{"Sample Type":"Healthy 4"},
"Additional sample data":{"RAW_FILE_NAME":"260"}
},
{
"Subject ID":"-",
"Sample ID":"SH4 2",
"Factors":{"Sample Type":"Healthy 4"},
"Additional sample data":{"RAW_FILE_NAME":"270"}
},
{
"Subject ID":"-",
"Sample ID":"SH4 3",
"Factors":{"Sample Type":"Healthy 4"},
"Additional sample data":{"RAW_FILE_NAME":"280"}
},
{
"Subject ID":"-",
"Sample ID":"SH5 1",
"Factors":{"Sample Type":"Healthy 5"},
"Additional sample data":{"RAW_FILE_NAME":"290"}
},
{
"Subject ID":"-",
"Sample ID":"SH5 2",
"Factors":{"Sample Type":"Healthy 5"},
"Additional sample data":{"RAW_FILE_NAME":"300"}
},
{
"Subject ID":"-",
"Sample ID":"SH5 3",
"Factors":{"Sample Type":"Healthy 5"},
"Additional sample data":{"RAW_FILE_NAME":"310"}
},
{
"Subject ID":"-",
"Sample ID":"SH6 1",
"Factors":{"Sample Type":"Healthy 6"},
"Additional sample data":{"RAW_FILE_NAME":"320"}
},
{
"Subject ID":"-",
"Sample ID":"SH6 2",
"Factors":{"Sample Type":"Healthy 6"},
"Additional sample data":{"RAW_FILE_NAME":"330"}
},
{
"Subject ID":"-",
"Sample ID":"SH6 3",
"Factors":{"Sample Type":"Healthy 6"},
"Additional sample data":{"RAW_FILE_NAME":"340"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Participants were asked to chew on a piece of sterile parafilm and expectorate stimulated saliva into a sterile universal tube until approximately 6mls was collected.","SAMPLE_TYPE":"Saliva","STORAGE_CONDITIONS":"-20℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"No treatment"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"nuclear magnetic resonance (NMR) analysis on thawed saliva aliquots (500 l, n=3 per participant) was performed using a previously published method 11. Briefly, samples were centrifuged for 5 minutes at 13,000 RPM to remove cell debris. The supernatant was removed for NMR analysis and mixed at a ratio of 4:1 with sodium trimethylsilyl propionate (TSP) buffer and added to a 5mm NMR tube (Bruker, Coventry, UK). Spectra were acquired on a 600 MHz NMR spectrophotometer (Bruker). The spectra were processed on TopSpin (Bruker) to correct the phase and baseline, and to calibrate the TSP peak to 0 ppm. The identity of metabolites were assigned and the concentration (mM) obtained from spectra using Chenomx NMR Suite version 8.5 (Chenomix Ltd, Canada).","PROCESSING_STORAGE_CONDITIONS":"On ice"},

"ANALYSIS":{"LABORATORY_NAME":"NMR Centre, KCL"},

"NM":{"INSTRUMENT_NAME":"Bruker AVANCE III HD 600 MHz NMR spectrometer","INSTRUMENT_TYPE":"FT-NMR","NMR_EXPERIMENT_TYPE":"1D-1H","SPECTROMETER_FREQUENCY":"600MHz","NMR_PROBE":"TCI (1H/19F)/13C/15N Prodigy Cryoprobe","NMR_SOLVENT":"TSP","NMR_TUBE_SIZE":"5mm","PULSE_SEQUENCE":"PROJECT","TEMPERATURE":"298K","NUMBER_OF_SCANS":"128","ACQUISITION_TIME":"2.62 s","RELAXATION_DELAY":"4 s","SPECTRAL_WIDTH":"20.8 ppm","REAL_DATA_POINTS":"65536 points"},

"NMR_METABOLITE_DATA":{
"Units":"mM",

"Data":[{"Metabolite":"ALANINE","Sterile Saliva":"0","SE1 1":"0.108","SE1 2":"0.1513","SE1 3":"0.132","SE2 1":"0.0338","SE2 2":"0.0297","SE2 3":"0.0355","SE3 1":"0.0662","SE3 2":"0.0613","SE3 3":"0.061","SE4 1":"0.0605","SE4 2":"0.0593","SE4 3":"0.0594","SE5 1":"0.0882","SE5 2":"0.0976","SE5 3":"0.0869","SH1 1":"0.0612","SH1 2":"0.0575","SH1 3":"0.0625","SH2 1":"0.0883","SH2 2":"0.0811","SH2 3":"0.0852","SH3 1":"0.0857","SH3 2":"0.0962","SH3 3":"0.0888","SH4 1":"0.0926","SH4 2":"0.1045","SH4 3":"0.1073","SH5 1":"0.0587","SH5 2":"0.0626","SH5 3":"0.0714","SH6 1":"0.0472","SH6 2":"0.0568","SH6 3":"0.0595"},{"Metabolite":"VALINE","Sterile Saliva":"0.005","SE1 1":"0.0271","SE1 2":"0.0327","SE1 3":"0.0341","SE2 1":"0.0112","SE2 2":"0.0089","SE2 3":"0.0106","SE3 1":"0.0131","SE3 2":"0.0125","SE3 3":"0.0132","SE4 1":"0.0202","SE4 2":"0.0194","SE4 3":"0.0186","SE5 1":"0.0267","SE5 2":"0.0286","SE5 3":"0.0247","SH1 1":"0.015","SH1 2":"0.013","SH1 3":"0.0147","SH2 1":"0.0233","SH2 2":"0.0217","SH2 3":"0.0219","SH3 1":"0.0277","SH3 2":"0.0316","SH3 3":"0.0281","SH4 1":"0.0241","SH4 2":"0.0274","SH4 3":"0.0292","SH5 1":"0.0117","SH5 2":"0.0125","SH5 3":"0.0146","SH6 1":"0.0067","SH6 2":"0","SH6 3":"0"},{"Metabolite":"GLYCINE","Sterile Saliva":"0.1376","SE1 1":"0.3226","SE1 2":"0.3779","SE1 3":"0.4126","SE2 1":"0.0944","SE2 2":"0.077","SE2 3":"0.0969","SE3 1":"0.1353","SE3 2":"0.1088","SE3 3":"0.1105","SE4 1":"0.1428","SE4 2":"0.1346","SE4 3":"0.135","SE5 1":"0.5089","SE5 2":"0.5451","SE5 3":"0.4802","SH1 1":"0.1527","SH1 2":"0.1275","SH1 3":"0.1359","SH2 1":"0.451","SH2 2":"0.3982","SH2 3":"0.4105","SH3 1":"0.2724","SH3 2":"0.2917","SH3 3":"0.2771","SH4 1":"0.4197","SH4 2":"0.4695","SH4 3":"0.4373","SH5 1":"0.2338","SH5 2":"0.232","SH5 3":"0.2717","SH6 1":"0.1229","SH6 2":"0.1485","SH6 3":"0.1559"},{"Metabolite":"PHENYLALANINE","Sterile Saliva":"0","SE1 1":"0.04","SE1 2":"0.0502","SE1 3":"0.0372","SE2 1":"0","SE2 2":"0","SE2 3":"0.0189","SE3 1":"0.0215","SE3 2":"0.0215","SE3 3":"0.0234","SE4 1":"0.0231","SE4 2":"0.0226","SE4 3":"0.0182","SE5 1":"0.0503","SE5 2":"0.0542","SE5 3":"0.0495","SH1 1":"0.0249","SH1 2":"0.0225","SH1 3":"0.0255","SH2 1":"0.0298","SH2 2":"0.0254","SH2 3":"0.0247","SH3 1":"0.0273","SH3 2":"0.0318","SH3 3":"0.0321","SH4 1":"0.0294","SH4 2":"0.0361","SH4 3":"0.0389","SH5 1":"0.0257","SH5 2":"0.0265","SH5 3":"0.0305","SH6 1":"0.0146","SH6 2":"0.0155","SH6 3":"0.0177"},{"Metabolite":"PROLINE","Sterile Saliva":"0","SE1 1":"0.3493","SE1 2":"0.3648","SE1 3":"0.3773","SE2 1":"0","SE2 2":"0","SE2 3":"0","SE3 1":"0","SE3 2":"0","SE3 3":"0","SE4 1":"0.1744","SE4 2":"0.1635","SE4 3":"0.155","SE5 1":"0.4837","SE5 2":"0.5086","SE5 3":"0.4576","SH1 1":"0.1456","SH1 2":"0.134","SH1 3":"0","SH2 1":"0.529","SH2 2":"0.4589","SH2 3":"0.4784","SH3 1":"0.2684","SH3 2":"0.3015","SH3 3":"0.2909","SH4 1":"0.452","SH4 2":"0.5411","SH4 3":"0.5539","SH5 1":"0.232","SH5 2":"0.2419","SH5 3":"0.2725","SH6 1":"0.0889","SH6 2":"0.1031","SH6 3":"0.1117"},{"Metabolite":"ACETATE","Sterile Saliva":"4.1287","SE1 1":"4.8368","SE1 2":"5.4604","SE1 3":"5.599","SE2 1":"3.1433","SE2 2":"2.6603","SE2 3":"3.052","SE3 1":"2.2971","SE3 2":"2.2424","SE3 3":"2.3315","SE4 1":"2.2192","SE4 2":"2.0402","SE4 3":"2.0158","SE5 1":"8.994","SE5 2":"9.7531","SE5 3":"8.5943","SH1 1":"0.871","SH1 2":"0.8901","SH1 3":"0.8969","SH2 1":"3.4311","SH2 2":"3.234","SH2 3":"3.3115","SH3 1":"8.5623","SH3 2":"9.0406","SH3 3":"8.6533","SH4 1":"5.3442","SH4 2":"5.6155","SH4 3":"5.6862","SH5 1":"3.5795","SH5 2":"3.8498","SH5 3":"4.1804","SH6 1":"3.3061","SH6 2":"3.7658","SH6 3":"3.8674"},{"Metabolite":"ETHANOL","Sterile Saliva":"0","SE1 1":"0.071","SE1 2":"0.0763","SE1 3":"0.0883","SE2 1":"0.0558","SE2 2":"0","SE2 3":"0","SE3 1":"0","SE3 2":"0","SE3 3":"0","SE4 1":"0","SE4 2":"0","SE4 3":"0","SE5 1":"0.0878","SE5 2":"0.0868","SE5 3":"0.0726","SH1 1":"0","SH1 2":"0","SH1 3":"0","SH2 1":"0","SH2 2":"0","SH2 3":"0","SH3 1":"0.0957","SH3 2":"0.1007","SH3 3":"0.0957","SH4 1":"0.1663","SH4 2":"0.1903","SH4 3":"0.1904","SH5 1":"0.0938","SH5 2":"0.0965","SH5 3":"0.1108","SH6 1":"0","SH6 2":"0.1358","SH6 3":"0"},{"Metabolite":"LACTATE","Sterile Saliva":"0.3051","SE1 1":"0.5028","SE1 2":"0.5399","SE1 3":"0.5634","SE2 1":"0.069","SE2 2":"0.0641","SE2 3":"0.0768","SE3 1":"2.0941","SE3 2":"2.0253","SE3 3":"2.0187","SE4 1":"0.1991","SE4 2":"0.1812","SE4 3":"0.192","SE5 1":"0","SE5 2":"0","SE5 3":"0","SH1 1":"0.4104","SH1 2":"0.396","SH1 3":"0.4104","SH2 1":"0.093","SH2 2":"0.0941","SH2 3":"0.0925","SH3 1":"0.0543","SH3 2":"0.0573","SH3 3":"0.0551","SH4 1":"0.1432","SH4 2":"0.1697","SH4 3":"0.1674","SH5 1":"0.2142","SH5 2":"0.2242","SH5 3":"0.2614","SH6 1":"0.3186","SH6 2":"0.3836","SH6 3":"0.3797"},{"Metabolite":"URACIL","Sterile Saliva":"0","SE1 1":"0.0324","SE1 2":"0.0372","SE1 3":"0.0406","SE2 1":"0.0125","SE2 2":"0.0094","SE2 3":"0.0106","SE3 1":"0","SE3 2":"0","SE3 3":"0","SE4 1":"0.0142","SE4 2":"0.0145","SE4 3":"0.0151","SE5 1":"0.0133","SE5 2":"0.0202","SE5 3":"0.0169","SH1 1":"0.0174","SH1 2":"0.016","SH1 3":"0.0178","SH2 1":"0.0153","SH2 2":"0","SH2 3":"0","SH3 1":"0.0317","SH3 2":"0.0343","SH3 3":"0.0324","SH4 1":"0.0208","SH4 2":"0.0225","SH4 3":"0.0238","SH5 1":"0","SH5 2":"0.0109","SH5 3":"0.0129","SH6 1":"0","SH6 2":"0.0108","SH6 3":"0"},{"Metabolite":"TYROSINE","Sterile Saliva":"0.0408","SE1 1":"0.064","SE1 2":"0.0693","SE1 3":"0.0725","SE2 1":"0.0293","SE2 2":"0.0318","SE2 3":"0.0286","SE3 1":"0.0671","SE3 2":"0.0436","SE3 3":"0.0415","SE4 1":"0.0652","SE4 2":"0.0563","SE4 3":"0.0376","SE5 1":"0.1167","SE5 2":"0.1242","SE5 3":"0.1142","SH1 1":"0.0316","SH1 2":"0.0321","SH1 3":"0.0364","SH2 1":"0.0578","SH2 2":"0.0579","SH2 3":"0.0559","SH3 1":"0.0527","SH3 2":"0.0603","SH3 3":"0.0467","SH4 1":"0.0567","SH4 2":"0.0668","SH4 3":"0.0718","SH5 1":"0.0499","SH5 2":"0.0512","SH5 3":"0.0608","SH6 1":"0.0358","SH6 2":"0.0491","SH6 3":"0.0477"},{"Metabolite":"PROPIONATE","Sterile Saliva":"0.5641","SE1 1":"0.4499","SE1 2":"0.4982","SE1 3":"0.5388","SE2 1":"0.3079","SE2 2":"0.2467","SE2 3":"0.2895","SE3 1":"0.2115","SE3 2":"0.2009","SE3 3":"0.1951","SE4 1":"0.0497","SE4 2":"0.0466","SE4 3":"0.0469","SE5 1":"0.9179","SE5 2":"0.9874","SE5 3":"0.8802","SH1 1":"0.1399","SH1 2":"0.1358","SH1 3":"0.1461","SH2 1":"0.2808","SH2 2":"0.2797","SH2 3":"0.2835","SH3 1":"0.8899","SH3 2":"0.9453","SH3 3":"0.9195","SH4 1":"0.7252","SH4 2":"0.8011","SH4 3":"0.8165","SH5 1":"0.5464","SH5 2":"0.5828","SH5 3":"0.6578","SH6 1":"0.4597","SH6 2":"0.5527","SH6 3":"0.5543"},{"Metabolite":"BUTYRATE","Sterile Saliva":"0","SE1 1":"0","SE1 2":"0","SE1 3":"0","SE2 1":"0","SE2 2":"0","SE2 3":"0","SE3 1":"0","SE3 2":"0","SE3 3":"0","SE4 1":"0","SE4 2":"0","SE4 3":"0","SE5 1":"0.1406","SE5 2":"0.114","SE5 3":"0.1424","SH1 1":"0","SH1 2":"0","SH1 3":"0","SH2 1":"0","SH2 2":"0","SH2 3":"0","SH3 1":"0","SH3 2":"0","SH3 3":"0","SH4 1":"0","SH4 2":"0.2262","SH4 3":"0","SH5 1":"0.1072","SH5 2":"0.1194","SH5 3":"0.1271","SH6 1":"0","SH6 2":"0","SH6 3":"0"},{"Metabolite":"Formate","Sterile Saliva":"0.1783","SE1 1":"0.1584","SE1 2":"0.1206","SE1 3":"0.1837","SE2 1":"0.1885","SE2 2":"0.122","SE2 3":"0.1608","SE3 1":"0.2871","SE3 2":"0.2778","SE3 3":"0.2864","SE4 1":"0.1346","SE4 2":"0.1334","SE4 3":"0.1127","SE5 1":"0.3889","SE5 2":"0.4027","SE5 3":"0.3422","SH1 1":"0","SH1 2":"0","SH1 3":"0","SH2 1":"0.0093","SH2 2":"0","SH2 3":"0","SH3 1":"0.0512","SH3 2":"0.0769","SH3 3":"0.0598","SH4 1":"0.4354","SH4 2":"0.4929","SH4 3":"0.4963","SH5 1":"0.0731","SH5 2":"0.0757","SH5 3":"0.0962","SH6 1":"0.7243","SH6 2":"0.8827","SH6 3":"0.8289"},{"Metabolite":"5-aminopentanoate","Sterile Saliva":"0","SE1 1":"0","SE1 2":"0","SE1 3":"0","SE2 1":"0","SE2 2":"0","SE2 3":"0","SE3 1":"0","SE3 2":"0","SE3 3":"0","SE4 1":"0","SE4 2":"0","SE4 3":"0","SE5 1":"0.4288","SE5 2":"0.4149","SE5 3":"0.3967","SH1 1":"0","SH1 2":"0","SH1 3":"0","SH2 1":"0","SH2 2":"0","SH2 3":"0","SH3 1":"0.3236","SH3 2":"0.3818","SH3 3":"0.3151","SH4 1":"0.3742","SH4 2":"0.4292","SH4 3":"0.4463","SH5 1":"0.2605","SH5 2":"0.2385","SH5 3":"0","SH6 1":"0","SH6 2":"0","SH6 3":"0"},{"Metabolite":"Dimethyl sulfone","Sterile Saliva":"0.012","SE1 1":"0.0145","SE1 2":"0.0167","SE1 3":"0.0164","SE2 1":"0.4688","SE2 2":"0.3974","SE2 3":"0.4629","SE3 1":"0.0309","SE3 2":"0.0303","SE3 3":"0.0288","SE4 1":"0.0078","SE4 2":"0.0072","SE4 3":"0.0073","SE5 1":"0","SE5 2":"0","SE5 3":"0","SH1 1":"0.0164","SH1 2":"0.0151","SH1 3":"0.0163","SH2 1":"0.0117","SH2 2":"0.0122","SH2 3":"0.0124","SH3 1":"0.0095","SH3 2":"0.01","SH3 3":"0.0094","SH4 1":"0.0135","SH4 2":"0.0145","SH4 3":"0.0146","SH5 1":"0.0101","SH5 2":"0.0106","SH5 3":"0.0117","SH6 1":"0.0115","SH6 2":"0.0126","SH6 3":"0.013"},{"Metabolite":"Urea","Sterile Saliva":"0.67","SE1 1":"0.2833","SE1 2":"0.2997","SE1 3":"0.3328","SE2 1":"0.4418","SE2 2":"0.4252","SE2 3":"0.4438","SE3 1":"1.4956","SE3 2":"1.4742","SE3 3":"1.4389","SE4 1":"2.671","SE4 2":"2.634","SE4 3":"2.5734","SE5 1":"0.9761","SE5 2":"1.0145","SE5 3":"0.9415","SH1 1":"1.1525","SH1 2":"1.2848","SH1 3":"1.2983","SH2 1":"1.6435","SH2 2":"1.6753","SH2 3":"1.5438","SH3 1":"0.3121","SH3 2":"0.3431","SH3 3":"0.3324","SH4 1":"0.1712","SH4 2":"0.2517","SH4 3":"0.1972","SH5 1":"0.8461","SH5 2":"0.8855","SH5 3":"0.9773","SH6 1":"0.4658","SH6 2":"0.5772","SH6 3":"0.5843"}],

"Metabolites":[{"Metabolite":"ALANINE","KEGG ID":"C00041"},{"Metabolite":"VALINE","KEGG ID":"C00183"},{"Metabolite":"GLYCINE","KEGG ID":"C00037"},{"Metabolite":"PHENYLALANINE","KEGG ID":"C00079"},{"Metabolite":"PROLINE","KEGG ID":"C00148"},{"Metabolite":"ACETATE","KEGG ID":"C00033"},{"Metabolite":"ETHANOL","KEGG ID":"C00469"},{"Metabolite":"LACTATE","KEGG ID":"C00186"},{"Metabolite":"URACIL","KEGG ID":"C00106"},{"Metabolite":"TYROSINE","KEGG ID":"C00082"},{"Metabolite":"PROPIONATE","KEGG ID":"C00163"},{"Metabolite":"BUTYRATE","KEGG ID":"C00246"},{"Metabolite":"Formate","KEGG ID":"C00058"},{"Metabolite":"5-aminopentanoate","KEGG ID":""},{"Metabolite":"Dimethyl sulfone","KEGG ID":"C11142"},{"Metabolite":"Urea","KEGG ID":"C00086"}]
}

}