#METABOLOMICS WORKBENCH jgooding_20180301_075721 DATATRACK_ID:1320 STUDY_ID:ST000939 ANALYSIS_ID:AN001540 PROJECT_ID:PR000648 VERSION 1 CREATED_ON March 6, 2018, 8:23 pm #PROJECT PR:PROJECT_TITLE Defining and Predicting Steroid-Resistance in Children with Nephrotic Syndrome PR:PROJECT_TITLE by Metabolic Profiling PR:PROJECT_TYPE Metabolomics PR:PROJECT_SUMMARY Nephrotic syndrome (NS) is a very common kidney disease in children. PR:PROJECT_SUMMARY Glucocorticoids (GC) are the primary therapy, but are ineffective in ~20% of PR:PROJECT_SUMMARY children and ~50% of adult cases. Patients with steroid resistant NS (SRNS) fail PR:PROJECT_SUMMARY to enter remission after prolonged oral GC treatment, and are at high risk for PR:PROJECT_SUMMARY GC-induced side effects and progression to end-stage kidney disease. This study PR:PROJECT_SUMMARY aimed to discover markers of steroid resistance that could be potentially used PR:PROJECT_SUMMARY to predict SRNS at presentation, and develop an improved mechanistic definition PR:PROJECT_SUMMARY of pediatric SRNS. Plasma samples were collected from 30 steroid sensitive NS PR:PROJECT_SUMMARY (SSNS) and 15 SRNS patients, and paired samples analyzed which were collected PR:PROJECT_SUMMARY both at disease presentation, prior to any steroid therapy, and after ~7 weeks PR:PROJECT_SUMMARY of daily GC treatment. Broad spectrum 1HNMR data were acquired, binned, and PR:PROJECT_SUMMARY concentration fit. Multivariate analyses and hypothesis testing were used to PR:PROJECT_SUMMARY determine the metabolites that best differentiated the four phenotypic groups. PR:PROJECT_SUMMARY Treatment effects on metabolomics profiles were observed between paired Pre- and PR:PROJECT_SUMMARY Post- treatment SSNS groups, and between Post SSNS and SRNS groups. Metabolites PR:PROJECT_SUMMARY most perturbed by GC treatment included lipoproteins , adipate, pyruvate, PR:PROJECT_SUMMARY alanine, creatine, glucose, tyrosine, valine, and glutamine. Logistic regression PR:PROJECT_SUMMARY using a stepwise variable selection method was used on Pre- samples to model the PR:PROJECT_SUMMARY odds at clinical presentation of SRNS. After controlling for age, the step-wise PR:PROJECT_SUMMARY logistic regression model selected increased glutamine (OR= 1.01; 0.99-1.02 95% PR:PROJECT_SUMMARY CI) as a marker of SRNS. A similar model with children age >3 only, indicated PR:PROJECT_SUMMARY that children with reduced levels of malonate (OR=0.94; 0.89-1.00 95% CI) had an PR:PROJECT_SUMMARY increased odds of SRNS . Thus, malonate concentration may be a potential plasma PR:PROJECT_SUMMARY biomarker for identifying SRNS at initial clinical presentation. PR:INSTITUTE The Ohio State University and Nationwide Children’s Hospital PR:DEPARTMENT Department of Pediatrics and Center for Clinical and Translational Research PR:LAST_NAME Smoyer and Agrawal PR:FIRST_NAME William E. and Shipra PR:ADDRESS 700 Children's Drive, Columbus, OH 43205 PR:EMAIL William.Smoyer@nationwidechildrens.org and PR:EMAIL shipra.agrawal@nationwidechildrens.org PR:PHONE (614) 722-4360 PR:FUNDING_SOURCE NIH Grants 1UMDK10086601, 1U24DK097193, and 7K01GM109320 #STUDY ST:STUDY_TITLE Predicting and Defining Steroid Resistance in Pediatric Nephrotic Syndrome using ST:STUDY_TITLE Plasma Metabolomics ST:STUDY_TYPE Discovery Metabolomics ST:STUDY_SUMMARY Paired citrate plasma samples were collected from 27 steroid-sensitive and 14 ST:STUDY_SUMMARY steroid-resistant nephrotic syndrome participants prior to beginning treatment ST:STUDY_SUMMARY and after an average of 7 weeks (range 3-19 wks) of treatment with a ST:STUDY_SUMMARY corticosteroid. ST:INSTITUTE RTI International ST:DEPARTMENT Discovery-Sciences-Technology ST:LABORATORY NIH Eastern Regional Comprehensive Metabolomics Resource Core at UNC Chapel Hill ST:LABORATORY (ERCMRC) ST:LAST_NAME Sumner ST:FIRST_NAME Susan ST:ADDRESS 3040 E. Cornwallis Road, Research Triangle Park, NC 27709, USA ST:EMAIL susan_sumner@unc.edu ST:PHONE 704-250-5000 ST:TOTAL_SUBJECTS 86 ST:STUDY_COMMENTS Factor Description 1. Treatment Response R = Steroid Resistant; S = Steroid ST:STUDY_COMMENTS Sensitive; Steroid resistance was defined as failure to enter complete remission ST:STUDY_COMMENTS after 6-8 weeks of daily oral steroids; Steroid sensitive was defined as ST:STUDY_COMMENTS clinical remission after 6-8 weeks of daily oral steroids. 2. Draw Number Draw ST:STUDY_COMMENTS 1 sample, ‘Pre’, was collected at the time of disease presentation before ST:STUDY_COMMENTS even a single dose of glucocorticoids, and Draw 2 sample, ‘Post’, was ST:STUDY_COMMENTS collected after 6-10 weeks of Glucocorticoid therapy. 3. Age Age in years at the ST:STUDY_COMMENTS time of Draw 1, or 'Pre', sample collection Other sample data Weeks difference ST:STUDY_COMMENTS Time in weeks between draw 1, 'pre', and draw 2, 'post', treatment sample ST:STUDY_COMMENTS collection Gender M = male; F = female Race self-reported (Native American or ST:STUDY_COMMENTS Alaskan Native/Asian/Black or African American/Native Hawaiian or Other Pacific ST:STUDY_COMMENTS Islander/White/More than one race) Ethnicity self-reported (Hispanic or ST:STUDY_COMMENTS Latino/Not Hispanic or Latino/Unknown) #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - S_1_B Treatment Response:Steroid Sensitive | Gender:M Draw Number=2; Age=2; Weeks Difference=3.9; Race=Not disclosed; Ethnicity=Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_1_A Treatment Response:Steroid Sensitive | Gender:M Draw Number=1; Age=2; Weeks Difference=3.9; Race=Not disclosed; Ethnicity=Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_2_B Treatment Response:Steroid Resistant | Gender:F Draw Number=2; Age=8; Weeks Difference=4.3; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_2_A Treatment Response:Steroid Resistant | Gender:F Draw Number=1; Age=8; Weeks Difference=4.3; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_3_B Treatment Response:Steroid Resistant | Gender:M Draw Number=2; Age=14; Weeks Difference=7.3; Race=Black/African American; Ethnicity=Not disclosed SUBJECT_SAMPLE_FACTORS - S_3_A Treatment Response:Steroid Resistant | Gender:M Draw Number=1; Age=14; Weeks Difference=7.3; Race=Black/African American; Ethnicity=Not disclosed SUBJECT_SAMPLE_FACTORS - S_4_B Treatment Response:Steroid Sensitive | Gender:M Draw Number=2; Age=3; Weeks Difference=19; Race=Asian; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_4_A Treatment Response:Steroid Sensitive | Gender:M Draw Number=1; Age=3; Weeks Difference=19; Race=Asian; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_5_B Treatment Response:Steroid Sensitive | Gender:F Draw Number=2; Age=2; Weeks Difference=5; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_5_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=2; Weeks Difference=5; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_6_B Treatment Response:Steroid Sensitive | Gender:M Draw Number=2; Age=-; Weeks Difference=6.4; Race=white; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_6_A Treatment Response:Steroid Sensitive | Gender:M Draw Number=1; Age=-; Weeks Difference=6.4; Race=white; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_7_B Treatment Response:Steroid Sensitive | Gender:F Draw Number=2; Age=8; Weeks Difference=4.7; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_7_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=8; Weeks Difference=4.7; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_8_B Treatment Response:Steroid Sensitive | Gender:F Draw Number=2; Age=3; Weeks Difference=5.9; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_8_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=3; Weeks Difference=5.9; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_9_B Treatment Response:Steroid Resistant | Gender:F Draw Number=2; Age=14; Weeks Difference=7.4; Race=white; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_9_A Treatment Response:Steroid Resistant | Gender:F Draw Number=1; Age=14; Weeks Difference=7.4; Race=white; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_10_B Treatment Response:Steroid Sensitive | Gender:F Draw Number=2; Age=10; Weeks Difference=2.7; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_10_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=10; Weeks Difference=2.7; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_11_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=6; Weeks Difference=-; Race=Asian; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_12_B Treatment Response:Steroid Sensitive | Gender:F Draw Number=2; Age=3; Weeks Difference=7; Race=Not disclosed; Ethnicity=Not disclosed SUBJECT_SAMPLE_FACTORS - S_12_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=3; Weeks Difference=7; Race=Not disclosed; Ethnicity=Not disclosed SUBJECT_SAMPLE_FACTORS - S_13_B Treatment Response:Steroid Resistant | Gender:M Draw Number=2; Age=13; Weeks Difference=7.9; Race=(Biracial) black/African American/white; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_13_A Treatment Response:Steroid Resistant | Gender:M Draw Number=1; Age=13; Weeks Difference=7.9; Race=(Biracial) black/African American/white; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_14_B Treatment Response:Steroid Resistant | Gender:F Draw Number=2; Age=6; Weeks Difference=6.1; Race=White; Ethnicity=Not disclosed SUBJECT_SAMPLE_FACTORS - S_14_A Treatment Response:Steroid Resistant | Gender:F Draw Number=1; Age=6; Weeks Difference=6.1; Race=White; Ethnicity=Not disclosed SUBJECT_SAMPLE_FACTORS - S_15_B Treatment Response:Steroid Resistant | Gender:F Draw Number=2; Age=12; Weeks Difference=4.9; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_15_A Treatment Response:Steroid Resistant | Gender:F Draw Number=1; Age=12; Weeks Difference=4.9; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_16_B Treatment Response:Steroid Sensitive | Gender:- Draw Number=2; Age=-; Weeks Difference=6.9; Race=-; Ethnicity=- SUBJECT_SAMPLE_FACTORS - S_16_A Treatment Response:Steroid Sensitive | Gender:- Draw Number=1; Age=-; Weeks Difference=6.9; Race=-; Ethnicity=- SUBJECT_SAMPLE_FACTORS - S_17_B Treatment Response:Steroid Resistant | Gender:F Draw Number=2; Age=12; Weeks Difference=6.1; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_17_A Treatment Response:Steroid Resistant | Gender:F Draw Number=1; Age=12; Weeks Difference=6.1; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_18_B Treatment Response:Steroid Sensitive | Gender:F Draw Number=2; Age=5; Weeks Difference=5; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_18_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=5; Weeks Difference=5; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_19_B Treatment Response:Steroid Sensitive | Gender:F Draw Number=2; Age=3; Weeks Difference=8.3; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_19_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=3; Weeks Difference=8.3; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_20_B Treatment Response:Steroid Resistant | Gender:F Draw Number=2; Age=11; Weeks Difference=5; Race=White; Ethnicity=Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_20_A Treatment Response:Steroid Resistant | Gender:F Draw Number=1; Age=11; Weeks Difference=5; Race=White; Ethnicity=Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_21_B Treatment Response:Steroid Resistant | Gender:F Draw Number=2; Age=10; Weeks Difference=10.4; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_21_A Treatment Response:Steroid Resistant | Gender:F Draw Number=1; Age=10; Weeks Difference=10.4; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_22_B Treatment Response:Steroid Sensitive | Gender:F Draw Number=2; Age=2.6; Weeks Difference=6.4; Race=(biracial) asian/white; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_22_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=2.6; Weeks Difference=6.4; Race=(biracial) asian/white; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_23_B Treatment Response:Steroid Sensitive | Gender:M Draw Number=2; Age=7.8; Weeks Difference=7; Race=Asian; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_23_A Treatment Response:Steroid Sensitive | Gender:M Draw Number=1; Age=7.8; Weeks Difference=7; Race=Asian; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_24_B Treatment Response:Steroid Sensitive | Gender:F Draw Number=2; Age=6.04; Weeks Difference=8.6; Race=Asian; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_24_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=6.04; Weeks Difference=8.6; Race=Asian; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_25_B Treatment Response:Steroid Sensitive | Gender:M Draw Number=2; Age=5.6; Weeks Difference=7; Race=Asian; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_25_A Treatment Response:Steroid Sensitive | Gender:M Draw Number=1; Age=5.6; Weeks Difference=7; Race=Asian; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_26_B Treatment Response:Steroid Resistant | Gender:F Draw Number=2; Age=12; Weeks Difference=6; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_26_A Treatment Response:Steroid Resistant | Gender:F Draw Number=1; Age=12; Weeks Difference=6; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_27_B Treatment Response:Steroid Sensitive | Gender:M Draw Number=2; Age=3; Weeks Difference=6.7; Race=White; Ethnicity=Not disclosed SUBJECT_SAMPLE_FACTORS - S_27_A Treatment Response:Steroid Sensitive | Gender:M Draw Number=1; Age=3; Weeks Difference=6.7; Race=White; Ethnicity=Not disclosed SUBJECT_SAMPLE_FACTORS - S_28_B Treatment Response:Steroid Sensitive | Gender:M Draw Number=2; Age=2; Weeks Difference=5.9; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_28_A Treatment Response:Steroid Sensitive | Gender:M Draw Number=1; Age=2; Weeks Difference=5.9; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_29_B Treatment Response:Steroid Sensitive | Gender:F Draw Number=2; Age=14; Weeks Difference=7; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_29_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=14; Weeks Difference=7; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_30_B Treatment Response:Steroid Sensitive | Gender:M Draw Number=2; Age=5; Weeks Difference=6; Race=(Biracial) black/African American/White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_30_A Treatment Response:Steroid Sensitive | Gender:M Draw Number=1; Age=5; Weeks Difference=6; Race=(Biracial) black/African American/White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_31_B Treatment Response:Steroid Sensitive | Gender:M Draw Number=2; Age=9; Weeks Difference=7.9; Race=black/african american; Ethnicity=Not diclosed SUBJECT_SAMPLE_FACTORS - S_31_A Treatment Response:Steroid Sensitive | Gender:M Draw Number=1; Age=9; Weeks Difference=7.9; Race=black/african american; Ethnicity=Not diclosed SUBJECT_SAMPLE_FACTORS - S_32_B Treatment Response:Steroid Sensitive | Gender:M Draw Number=2; Age=6; Weeks Difference=5.9; Race=white; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_32_A Treatment Response:Steroid Sensitive | Gender:M Draw Number=1; Age=6; Weeks Difference=5.9; Race=white; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_33_B Treatment Response:Steroid Sensitive | Gender:F Draw Number=2; Age=6; Weeks Difference=6.4; Race=white; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_33_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=6; Weeks Difference=6.4; Race=white; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_34_B Treatment Response:Steroid Sensitive | Gender:F Draw Number=2; Age=15; Weeks Difference=6.3; Race=black/african american; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_34_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=15; Weeks Difference=6.3; Race=black/african american; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_35_B Treatment Response:Steroid Resistant | Gender:M Draw Number=2; Age=-; Weeks Difference=5.6; Race=white; Ethnicity=Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_35_A Treatment Response:Steroid Resistant | Gender:M Draw Number=1; Age=-; Weeks Difference=5.6; Race=white; Ethnicity=Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_36_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=-; Weeks Difference=-; Race=white; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_37_B Treatment Response:Steroid Sensitive | Gender:M Draw Number=2; Age=7; Weeks Difference=8.1; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_37_A Treatment Response:Steroid Sensitive | Gender:M Draw Number=1; Age=7; Weeks Difference=8.1; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_38_B Treatment Response:Steroid Sensitive | Gender:F Draw Number=2; Age=8; Weeks Difference=8.4; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_38_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=8; Weeks Difference=8.4; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_39_B Treatment Response:Steroid Sensitive | Gender:M Draw Number=2; Age=2; Weeks Difference=6.6; Race=white; Ethnicity=Not disclosed SUBJECT_SAMPLE_FACTORS - S_39_A Treatment Response:Steroid Sensitive | Gender:M Draw Number=1; Age=2; Weeks Difference=6.6; Race=white; Ethnicity=Not disclosed SUBJECT_SAMPLE_FACTORS - S_40_B Treatment Response:Steroid Resistant | Gender:M Draw Number=2; Age=6; Weeks Difference=6; Race=Black/African American; Ethnicity=Not disclosed SUBJECT_SAMPLE_FACTORS - S_40_A Treatment Response:Steroid Resistant | Gender:M Draw Number=1; Age=6; Weeks Difference=6; Race=Black/African American; Ethnicity=Not disclosed SUBJECT_SAMPLE_FACTORS - S_41_A Treatment Response:Steroid Resistant | Gender:- Draw Number=1; Age=-; Weeks Difference=-; Race=-; Ethnicity=- SUBJECT_SAMPLE_FACTORS - S_42_B Treatment Response:Steroid Sensitive | Gender:M Draw Number=2; Age=4; Weeks Difference=6.9; Race=native american or alaskan native; Ethnicity=Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_42_A Treatment Response:Steroid Sensitive | Gender:M Draw Number=1; Age=4; Weeks Difference=6.9; Race=native american or alaskan native; Ethnicity=Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_43_B Treatment Response:Steroid Resistant | Gender:F Draw Number=2; Age=4; Weeks Difference=10.3; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_43_A Treatment Response:Steroid Resistant | Gender:F Draw Number=1; Age=4; Weeks Difference=10.3; Race=Black/African American; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - S_44_B Treatment Response:Steroid Resistant | Gender:M Draw Number=2; Age=10; Weeks Difference=11.3; Race=not disclosed; Ethnicity=not disclosed SUBJECT_SAMPLE_FACTORS - S_44_A Treatment Response:Steroid Resistant | Gender:M Draw Number=1; Age=10; Weeks Difference=11.3; Race=not disclosed; Ethnicity=not disclosed SUBJECT_SAMPLE_FACTORS - S_45_A Treatment Response:Steroid Sensitive | Gender:F Draw Number=1; Age=13; Weeks Difference=6.7; Race=White; Ethnicity=Not Hispanic or Latino SUBJECT_SAMPLE_FACTORS - TP1 Treatment Response:Pool | Gender:- Draw Number=-; Age=-; Weeks Difference=-; Race=-; Ethnicity=- SUBJECT_SAMPLE_FACTORS - TP2 Treatment Response:Pool | Gender:- Draw Number=-; Age=-; Weeks Difference=-; Race=-; Ethnicity=- SUBJECT_SAMPLE_FACTORS - TP3 Treatment Response:Pool | Gender:- Draw Number=-; Age=-; Weeks Difference=-; Race=-; Ethnicity=- SUBJECT_SAMPLE_FACTORS - TP4 Treatment Response:Pool | Gender:- Draw Number=-; Age=-; Weeks Difference=-; Race=-; Ethnicity=- #COLLECTION CO:COLLECTION_SUMMARY None CO:COLLECTION_PROTOCOL_COMMENTS Citrate plasma CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY None #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Study sample aliquots of 180 µL were mixed with 60 µL 0.9% saline solution SP:SAMPLEPREP_SUMMARY containing 0.2% NaN3 and 4 mM formate in D2O. A total pool was also created by SP:SAMPLEPREP_SUMMARY combining 11 µL aliquots from each study sample, mixed thoroughly, divided into SP:SAMPLEPREP_SUMMARY four 180 µL aliquots, and processed identically to study samples. All of the SP:SAMPLEPREP_SUMMARY samples were thoroughly mixed on multiple tube vortex mixer for 30 s at 5000 SP:SAMPLEPREP_SUMMARY rpm, centrifuged at room temperature and 12,000 rcf for 5 min. The supernatants SP:SAMPLEPREP_SUMMARY (200 µL) were stored in a fresh 1.5 mL centrifuge tubes overnight at 4 C, SP:SAMPLEPREP_SUMMARY before transfer into pre-labeled 3mm NMR tubes (Bruker-Biospin, Switzerland) on SP:SAMPLEPREP_SUMMARY the day of analysis. SP:EXTRACT_STORAGE 4℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE - CH:INSTRUMENT_NAME - CH:COLUMN_NAME - #ANALYSIS AN:DATA_FORMAT 1r, fid AN:ANALYSIS_TYPE NMR #NMR NM:INSTRUMENT_NAME Bruker Avance III NM:INSTRUMENT_TYPE FT-NMR NM:NMR_EXPERIMENT_TYPE 1D-1H NM:FIELD_FREQUENCY_LOCK Deuterium NM:STANDARD_CONCENTRATION 1 mM NM:SPECTROMETER_FREQUENCY 700 MHz NM:NMR_PROBE CRYO QNP NM:NMR_SOLVENT D2O NM:NMR_TUBE_SIZE 3 mm NM:SHIMMING_METHOD topshim NM:PULSE_SEQUENCE cpmgpr1d NM:WATER_SUPPRESSION Yes NM:PULSE_WIDTH 12.781 us NM:POWER_LEVEL 19 W NM:RECEIVER_GAIN 4 NM:OFFSET_FREQUENCY 3294.20 Hz NM:CHEMICAL_SHIFT_REF_CPD formate NM:TEMPERATURE 25 NM:NUMBER_OF_SCANS 128 NM:DUMMY_SCANS 4 NM:ACQUISITION_TIME 3.892 s NM:RELAXATION_DELAY 2 s NM:SPECTRAL_WIDTH 12 ppm NM:NUM_DATA_POINTS_ACQUIRED 65536 NM:REAL_DATA_POINTS 65536 NM:LINE_BROADENING 0.5 Hz NM:ZERO_FILLING yes NM:APODIZATION Lorentzian NM:BASELINE_CORRECTION_METHOD Polynomial NM:CHEMICAL_SHIFT_REF_STD Formate NM:BINNED_INCREMENT 0.04 NM:BINNED_DATA_EXCLUDED_RANGE water (4.55 – 5.15 ppm) and citrate (2.47-2.565 and 2.61-2.70) #NMR_METABOLITE_DATA NMR_METABOLITE_DATA:UNITS mM in NMR Sample NMR_METABOLITE_DATA_START Samples S_1_B S_1_A S_2_B S_2_A S_3_B S_3_A S_4_B S_4_A S_5_B S_5_A S_6_B S_6_A S_7_B S_7_A S_8_B S_8_A S_9_B S_9_A S_10_B S_10_A S_11_A S_12_B S_12_A S_13_B S_13_A S_14_B S_14_A S_15_B S_15_A S_16_B S_16_A S_17_B S_17_A S_18_B S_18_A S_19_B S_19_A S_20_B S_20_A S_21_B S_21_A S_22_B S_22_A S_23_B S_23_A S_24_B S_24_A S_25_B S_25_A S_26_B S_26_A S_27_B S_27_A S_28_B S_28_A S_29_B S_29_A S_30_B S_30_A S_31_B S_31_A S_32_B S_32_A S_33_B S_33_A S_34_B S_34_A S_35_B S_35_A S_36_A S_37_B S_37_A S_38_B S_38_A S_39_B S_39_A S_40_B S_40_A S_41_A S_42_B S_42_A S_43_B S_43_A S_44_B S_44_A S_45_A TP1 TP2 TP3 TP4 Factors Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Resistant | Gender:M Treatment Response:Steroid Resistant | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Resistant | Gender:M Treatment Response:Steroid Resistant | Gender:M Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Sensitive | Gender:- Treatment Response:Steroid Sensitive | Gender:- Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Resistant | Gender:M Treatment Response:Steroid Resistant | Gender:M Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Resistant | Gender:M Treatment Response:Steroid Resistant | Gender:M Treatment Response:Steroid Resistant | Gender:- Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Sensitive | Gender:M Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Resistant | Gender:F Treatment Response:Steroid Resistant | Gender:M Treatment Response:Steroid Resistant | Gender:M Treatment Response:Steroid Sensitive | Gender:F Treatment Response:Pool | Gender:- Treatment Response:Pool | Gender:- Treatment Response:Pool | Gender:- Treatment Response:Pool | Gender:- 3-Hydroxybutyrate 0.058 0.043 0.0366 0.0349 0.0371 0.1686 0.0175 0.0311 0.0387 0.0513 0.0205 0.0546 0.0444 0.1027 0.0336 0.0378 0.0723 0.0424 0.0463 0.0391 0.0341 0.0385 0.0482 0.0658 0.0511 0.0514 0.0378 0.0475 0.1583 0.1439 0.2535 0.065 0.067 0.062 0.0988 0.0361 0.0278 0.0824 0.0186 0.0943 0.0249 0.0201 0.0335 0.0962 0.0448 0.1342 0.0618 0.0483 0.1322 0.117 0.0289 0.0715 0.0316 0.0791 0.0526 0.0549 0.0105 0.0404 0.0621 0.0565 0.0481 0.0353 0.0347 0.0274 0.0354 Acetate 0.0406 0.048 0.0484 0.0477 0.0296 0.0524 0.0366 0.0453 0.0263 0.0369 0.0328 0.0579 0.0417 0.0435 0.0318 0.0405 0.0535 0.0475 0.0189 0.0361 0.0384 0.035 0.0279 0.0321 0.0242 0.0259 0.0344 0.0145 0.0161 0.0107 0.013 0.0143 0.0206 0.0089 0.019 0.0119 0.0206 0.0157 0.0192 0.0132 0.023 0.0163 0.0189 0.0257 0.0143 0.0076 0.0123 0.0149 0.008 0.0134 0.0087 0.0256 0.0096 0.0161 0.0175 0.0166 0.0177 0.013 0.0037 0.0199 0.0296 0.0086 0.1366 0.0186 0.0075 0.0262 0.1704 0.005 0.0138 0.053 0.0256 0.0243 0.0137 0.012 0.0083 0.0103 0.014 0.0145 0.0162 0.0191 0.027 0.0139 0.0271 0.0383 0.0368 0.0232 0.0276 0.0269 0.0263 0.0331 Acetone 0.0317 0.0452 0.0508 0.0406 0.0432 0.0436 0.0351 0.0712 0.069 0.0403 0.0441 0.056 0.0499 0.0404 0.0577 0.061 0.1039 0.0749 0.0655 0.0514 0.0499 0.046 0.0569 0.0571 0.0483 0.0597 0.0603 0.0411 0.0429 0.0557 0.0385 0.0509 0.0734 0.0895 0.0369 0.0342 0.0438 0.0558 0.0451 0.0649 0.0934 0.4104 0.3212 0.0405 0.0382 0.0377 0.0472 0.06 0.038 0.0978 0.0477 0.118 0.0462 0.041 0.0736 0.0349 0.1036 0.0503 0.0344 0.0563 0.0597 0.0339 0.1118 0.0558 0.0428 0.0515 0.0982 0.0916 0.0649 0.1999 0.0404 0.1275 0.0411 0.0578 0.043 0.0518 0.0335 0.0482 0.1115 0.0884 0.0467 0.0492 0.058 0.0605 0.0575 0.0548 0.075 0.0695 0.0622 0.0679 Adipate 0.0241 0.0427 0.0407 0.0663 0.0664 0.0598 0.0296 0.0544 0.0265 0.0527 0.0425 0.0696 0.0301 0.055 0.0515 0.0947 0.0888 0.0624 0.0608 0.1189 0.051 0.1079 0.0444 0.0687 0.1169 0.0624 0.1388 0.0751 0.0705 0.0351 0.0699 0.0791 0.0886 0.1237 0.0638 0.0522 0.2039 0.0959 0.0683 0.1132 0.1279 0.0569 0.1049 0.0511 0.1194 0.0497 0.1207 0.0616 0.0556 0.1534 0.1076 0.0386 0.0822 0.0307 0.0795 0.0216 0.1048 0.0431 0.0987 0.0642 0.088 0.0192 0.1086 0.0434 0.1058 0.034 0.1567 0.0867 0.0735 0.1141 0.0834 0.102 0.0513 0.1248 0.057 0.1644 0.0414 0.0509 0.0745 0.1526 0.1459 0.0589 0.0713 0.1723 0.1256 0.1134 0.0828 0.082 0.0728 0.0743 Alanine 0.0943 0.0621 0.1277 0.0844 0.0814 0.0774 0.1236 0.0485 0.1628 0.0771 0.1302 0.0991 0.1221 0.0697 0.1736 0.0811 0.0777 0.0552 0.1957 0.1292 0.0548 0.1718 0.1041 0.0771 0.0802 0.1854 0.1011 0.0985 0.1182 0.1403 0.1127 0.1659 0.1363 0.1069 0.0855 0.1531 0.134 0.1887 0.0901 0.2255 0.0994 0.1147 0.0959 0.1023 0.0903 0.1513 0.1137 0.1393 0.1022 0.1224 0.0776 0.0654 0.1296 0.0685 0.057 0.1252 0.1034 0.0802 0.1803 0.1131 0.0788 0.1601 0.042 0.1153 0.1253 0.1571 0.0379 0.1149 0.0739 0.07 0.2322 0.0774 0.1378 0.0886 0.229 0.0851 0.0656 0.132 0.0898 0.0763 0.072 0.0991 0.0762 0.0797 0.0926 0.1225 0.1051 0.1071 0.1039 0.1024 Betaine 0.0106 0.0116 0.0129 0.0214 0.0205 0.0185 0.0134 0.019 0.0072 0.0126 0.0146 0.0153 0.0115 0.0163 0.0111 0.0113 0.0209 0.0167 0.0269 0.0168 0.011 0.0222 0.0213 0.013 0.0214 0.0128 0.018 0.0226 0.0238 0.0242 0.0228 0.0163 0.0187 0.0102 0.0217 0.0111 0.0136 0.0087 0.0125 0.0169 0.0208 0.0189 0.0138 0.0202 0.0228 0.0198 0.0209 0.0158 0.0153 0.0232 0.0172 0.0159 0.0197 0.0116 0.014 0.0131 0.0127 0.0163 0.0215 0.0171 0.0201 0.0194 0.0055 0.0142 0.0159 0.0121 0.0068 0.0088 0.0185 0.0102 0.0357 0.0245 0.0204 0.027 0.013 0.0128 0.0175 0.0246 0.0348 0.0163 0.0259 0.0182 0.0135 0.0248 0.0207 0.0139 0.017 0.0167 0.017 0.016 Choline 0.0393 0.0297 0.0251 0.0205 0.0263 0.0271 0.0242 0.0281 0.0285 0.0223 0.0279 0.0321 0.0257 0.0236 0.0279 0.0175 0.027 0.0275 0.0501 0.0324 0.0124 0.0358 0.0312 0.0195 0.0287 0.0307 0.0226 0.0318 0.0249 0.0281 0.0363 0.025 0.0284 0.0202 0.0275 0.0268 0.0313 0.0248 0.0219 0.0386 0.0313 0.0251 0.022 0.0193 0.0306 0.0233 0.0243 0.0288 0.0327 0.035 0.0217 0.0274 0.027 0.0241 0.0292 0.0291 0.025 0.0258 0.0251 0.0286 0.0336 0.0284 0.0078 0.0221 0.0214 0.0152 0.0095 0.0307 0.029 0.014 0.055 0.0294 0.0249 0.0294 0.0427 0.0272 0.0303 0.0348 0.0366 0.039 0.0292 0.0216 0.0258 0.0286 0.0165 0.0253 0.0301 0.0307 0.0255 0.0263 Citrate 6.0794 6.142 7.6106 6.8989 4.5917 5.1815 6.4982 7.0885 5.5181 6.3703 6.3039 10.08 5.8558 6.6574 6.864 7.4618 7.994 7.2054 6.7913 6.5041 5.8458 5.845 5.0415 7.4157 5.5804 5.628 6.5664 7.6569 7.2609 5.302 6.8783 4.8891 6.6783 8.0948 8.2602 6.8099 6.1402 7.6425 6.8151 8.3733 6.5836 6.5738 7.0011 5.7325 7.0243 4.6068 6.4082 5.9584 6.1581 7.7795 7.2088 5.6549 4.8121 5.4666 8.1533 6.5159 7.0847 8.1476 6.42 5.0303 6.6979 8.0247 21.5712 7.3467 5.974 16.9206 25.627 10.2581 8.5631 14.7387 4.3244 5.4139 4.8444 5.1263 4.9052 8.2284 6.9406 5.0388 7.4359 10.1863 9.3931 5.1846 5.0928 11.1039 9.4914 6.0794 7.5183 7.5603 7.0413 7.7001 Creatine 0.0497 0.0369 0.0433 0.0599 0.0193 0.0123 0.055 0.0312 0.0341 0.0287 0.0471 0.0478 0.0395 0.0219 0.0544 0.0326 0.0188 0.0153 0.055 0.0321 0.0376 0.054 0.0462 0.0129 0.0126 0.0724 0.0425 0.0213 0.0147 0.0427 0.0099 0.0342 0.0335 0.0805 0.0389 0.0326 0.0517 0.0438 0.0179 0.0405 0.0459 0.0667 0.0432 0.0546 0.0376 0.0452 0.0281 0.0448 0.0381 0.0486 0.0226 0.0337 0.0244 0.0435 0.0489 0.0312 0.04 0.0467 0.0423 0.0538 0.0422 0.0484 0.0142 0.0391 0.0369 0.0215 0.0059 0.0415 0.0378 0.0277 0.0465 0.0321 0.0305 0.0305 0.0704 0.0491 0.0398 0.0899 0.0406 0.0277 0.0355 0.0313 0.0159 0.0174 0.0349 0.0231 0.0408 0.04 0.0368 0.0392 Creatinine 0.007 0.0068 0.0085 0.014 0.0387 0.0474 0.0145 0.0088 0.0102 0.0055 0.0175 0.0116 0.0152 0.0302 0.015 0.0086 0.0299 0.0266 0.0183 0.0127 0.0198 0.0188 0.0163 0.0211 0.0381 0.0188 0.0126 0.0328 0.0303 0.0176 0.0338 0.0203 0.0234 0.0155 0.0126 0.013 0.0142 0.0235 0.0357 0.0254 0.0192 0.0137 0.0119 0.016 0.0163 0.0163 0.0128 0.0119 0.0115 0.0393 0.0275 0.0168 0.016 0.0105 0.0054 0.0206 0.0452 0.0202 0.0147 0.0188 0.014 0.0199 0.0083 0.0154 0.0103 0.0219 0.0103 0.0127 0.0093 0.0032 0.0244 0.0331 0.0236 0.022 0.0159 0.0096 0.0367 0.0349 0.0093 0.0114 0.0086 0.0184 0.0187 0.0176 0.0161 0.0201 0.0169 0.0175 0.0192 0.0139 Glucose 2.0237 1.5753 2.185 1.6471 2.3672 1.6979 2.3044 1.8964 1.7605 1.6771 1.3741 1.4763 2.6243 1.5865 1.8434 1.048 1.6277 1.2726 0.8551 0.6533 1.805 1.128 0.945 0.4862 0.8293 0.9558 0.7152 0.23 0.667 1.1144 0.9665 1.3322 0.1272 1.2166 0.8315 1.2741 0.0692 1.1021 1.1424 0.1916 0.5982 1.3552 1.0106 0.54 0.9266 0.71 1.3915 1.6121 0.5381 0.3458 1.0935 0.6465 0.9955 1.0083 0.0724 0.4607 0.4369 1.5001 1.2742 0.1149 0.0845 0.9214 1.0676 0.6982 0.5349 0.855 0.5434 1.032 0.9251 0.5374 1.2134 0.7634 0.807 0.1587 0.7498 0.9254 0.952 0.4447 0.9743 0.1071 0.9777 0.6738 0.9631 0.967 0.8903 0.8626 Glutamine 0.205 0.2071 0.1621 0.2455 0.1761 0.2447 0.195 0.2081 0.1867 0.1609 0.2188 0.2142 0.1998 0.2541 0.2522 0.2019 0.1756 0.1936 0.25 0.2756 0.1482 0.2877 0.2206 0.1953 0.2056 0.1779 0.2445 0.1941 0.1959 0.2329 0.2341 0.194 0.2465 0.2203 0.2131 0.1675 0.2155 0.1332 0.2432 0.2481 0.2134 0.1082 0.1191 0.1978 0.1908 0.1612 0.2459 0.1178 0.2057 0.2174 0.2158 0.166 0.2001 0.1515 0.1255 0.1972 0.0801 0.178 0.2184 0.1906 0.2303 0.1867 0.0562 0.1207 0.1743 0.1291 0.0619 0.267 0.2414 0.2544 0.1493 0.2755 0.1808 0.1995 0.1744 0.294 0.2204 0.1842 0.137 0.1397 0.1237 0.1432 0.1649 0.3209 0.2794 0.1 0.2053 0.1681 0.1898 0.1666 Glycerate 0.6449 0.7187 1.2434 0.9966 0.7055 0.5271 0.2793 0.2648 0.4396 0.4184 0.081 0.0494 0.2812 0.3151 0.2879 Glycine 0.0562 0.0401 0.0458 0.0727 0.0899 0.0589 0.0945 0.0553 0.0765 0.0552 0.0885 0.0817 0.1029 0.1002 0.1189 0.0846 0.058 0.0706 0.1149 0.0731 0.0538 0.1507 0.0777 0.0592 0.1048 0.1278 0.0975 0.0862 0.1038 0.1125 0.1165 0.1562 0.1674 0.0665 0.0947 0.1515 0.1429 0.1137 0.1702 0.1466 0.1016 0.0505 0.0922 0.0805 0.1375 0.1173 0.0994 0.0991 0.1213 0.0919 0.1086 0.1524 0.0705 0.0702 0.1731 0.1104 0.1425 0.1665 0.1373 0.0972 0.1439 0.0477 0.069 0.1109 0.0887 0.0497 0.1029 0.0737 0.0398 0.3618 0.1059 0.1363 0.126 0.2154 0.1325 0.1151 0.1771 0.0939 0.0799 0.0664 0.1254 0.1081 0.0967 0.0965 0.1224 0.0872 0.0999 0.1094 0.1369 Isoleucine 0.0186 0.0396 0.0361 0.0498 0.0586 0.0296 0.0296 0.0265 0.043 0.0408 0.0411 0.0546 0.027 0.0377 0.0496 0.0305 0.0253 0.0239 0.0447 0.0334 0.0089 0.03 0.0281 0.0163 0.0365 0.0423 0.0374 0.0268 0.0324 0.0247 0.0171 0.0208 0.0143 0.0268 0.0254 0.0178 0.051 0.0441 0.0435 0.0411 0.0354 0.0425 0.0291 0.0243 0.0257 0.0332 0.0229 0.0465 0.0328 0.0522 0.0357 0.0216 0.0199 0.0161 0.0278 0.0186 0.0425 0.0229 0.0391 0.0358 0.0259 0.0202 0.0112 0.0206 0.0365 0.0218 0.0066 0.0414 0.0314 0.0392 0.0277 0.0308 0.0295 0.0233 0.0274 0.0263 0.0237 0.0377 0.0389 0.0277 0.0228 0.0222 0.0166 0.0199 0.0175 0.0272 0.0317 0.0316 0.0307 0.0299 Isopropanol 0.0065 0.0299 0.011 0.0094 0.0057 0.0062 0.007 0.0076 0.0043 0.0058 0.0103 0.0064 0.0058 0.0034 0.007 0.0174 0.0043 0.0062 0.0053 0.0084 0.0083 0.0078 0.0037 0.0033 0.01 0.0029 0.0065 0.0035 0.006 0.0263 0.0181 0.0027 0.004 0.0033 0.037 0.0024 0.0082 0.0035 0.015 0.0961 0.0061 0.0682 0.0107 0.009 0.0311 0.0099 0.0075 0.0061 0.0044 0.0062 0.0044 0.0049 0.0075 0.0092 0.0104 0.0087 Lactate 0.4668 0.3149 0.7394 0.3032 0.4358 0.3858 0.7596 0.3373 0.5672 0.3402 0.9742 0.2612 0.6391 0.2807 1.3567 0.7154 0.7114 0.8632 3.0838 2.2409 0.4577 2.7554 1.9753 1.4646 1.6024 2.0176 2.129 2.6698 2.2804 1.9161 2.2287 2.4358 2.1316 2.4654 2.0432 2.3635 4.8766 2.6492 1.6105 3.6753 3.6231 2.4808 2.6176 0.904 2.0573 1.5032 2.0416 2.7616 2.7552 3.6101 3.1422 1.2473 2.5541 1.3825 1.8929 3.078 4.0791 2.3188 2.4176 1.1342 1.3645 2.9304 0.9263 1.9421 2.5098 1.9091 1.1267 3.067 2.0602 1.4348 3.122 1.6752 1.8845 2.203 2.8015 2.1914 1.7072 2.1875 2.5245 1.7991 1.9099 2.3438 1.7583 1.8156 2.1822 2.7028 1.8221 2.0213 1.8309 2.0575 Leucine 0.0713 0.0866 0.0883 0.1025 0.1155 0.0707 0.0714 0.0659 0.1073 0.0981 0.0976 0.0983 0.0718 0.0716 0.0969 0.0785 0.0715 0.0764 0.1135 0.073 0.0504 0.0747 0.05 0.0387 0.0729 0.0956 0.0938 0.0692 0.0686 0.0633 0.058 0.0636 0.0661 0.086 0.0583 0.0576 0.1383 0.0868 0.0764 0.0971 0.0888 0.0935 0.0827 0.0643 0.0792 0.079 0.0676 0.107 0.0812 0.1286 0.0849 0.0556 0.069 0.0474 0.0734 0.0601 0.094 0.0629 0.1045 0.0813 0.0687 0.0663 0.0342 0.0553 0.0849 0.0542 0.0247 0.0857 0.0779 0.1008 0.0701 0.076 0.0629 0.0542 0.0681 0.0597 0.0593 0.0851 0.0764 0.076 0.0666 0.0575 0.0453 0.0548 0.0529 0.0714 0.0755 0.0771 0.0769 0.0712 Malonate 0.0467 0.0173 0.0221 0.0152 0.0189 0.0266 0.0197 0.0211 0.0152 0.0081 0.017 0.0264 0.0239 0.048 0.0449 0.0201 0.0107 0.0155 0.0503 0.0504 0.0718 0.0832 0.0314 0.0163 0.0414 0.0265 0.0291 0.0368 0.0321 0.0281 0.0382 0.0146 0.0415 0.0431 0.0484 0.0228 0.1425 0.0286 0.0226 0.0368 0.0649 0.0376 0.0454 0.0187 0.031 0.0342 0.0376 0.039 0.0345 0.0457 0.0366 0.0199 0.049 0.0207 0.0647 0.0239 0.0591 0.0335 0.0484 0.0257 0.0303 0.0259 0.023 0.0133 0.0301 0.0241 0.0337 0.0585 0.0545 0.046 0.1133 0.0676 0.0253 0.0424 0.0285 0.0661 0.0397 0.0404 0.0596 0.0368 0.049 0.0313 0.0171 0.0398 0.043 0.0388 0.038 0.037 0.0352 0.0302 Methylamine 0.0125 0.0097 0.0135 0.0124 0.0087 0.0109 0.0141 0.014 0.0094 0.007 0.0148 0.0194 0.0146 0.0139 0.0194 0.0127 0.0143 0.013 0.0086 0.0159 0.014 0.0125 0.0134 0.0158 0.0149 0.0098 0.0126 0.0184 0.0101 0.0203 0.0075 0.0203 0.016 0.0246 0.0131 0.0129 0.0164 0.0136 0.0195 0.0173 0.0135 0.014 0.0102 0.0134 0.0053 0.0115 0.0164 0.0148 0.0103 0.0065 0.0105 0.016 0.0109 0.0125 0.0189 0.0128 0.0085 0.0181 0.0179 0.0367 0.0124 0.0112 0.0248 0.0517 0.0196 0.016 0.0418 0.008 0.0135 0.008 0.008 0.0078 0.0182 0.0129 0.0095 0.0108 0.0186 0.0191 0.0107 0.0085 0.0321 0.0246 0.0113 0.0178 0.0181 0.014 0.0137 O-Phosphocholine 0.0969 0.0627 0.076 0.038 0.0366 0.0277 0.037 0.0405 0.0745 0.0475 0.0736 0.0561 0.0606 0.0581 0.0642 0.0258 0.0342 0.0337 0.0878 0.0699 0.021 0.0482 0.0436 0.0367 0.0346 0.0463 0.0316 0.0521 0.0404 0.05 0.0621 0.0466 0.0359 0.0363 0.035 0.0341 0.0224 0.0624 0.0398 0.0538 0.041 0.0326 0.0254 0.0303 0.0383 0.0529 0.0247 0.0398 0.0411 0.037 0.0232 0.0344 0.0282 0.0388 0.0376 0.0372 0.0305 0.0295 0.0216 0.0412 0.0542 0.0264 0.0082 0.0341 0.0313 0.033 0.0193 0.0439 0.0401 0.018 0.0414 0.0432 0.0409 0.0365 0.0787 0.0428 0.0536 0.0645 0.0462 0.0544 0.0512 0.0291 0.0369 0.0426 0.0149 0.0357 0.0389 0.0419 0.0373 0.0382 Propylene glycol 0.3889 0.3986 0.4416 0.3833 0.364 0.3078 0.476 0.3831 0.4127 0.3616 0.4984 0.6721 0.4208 0.4059 0.4849 0.5013 0.6068 0.4774 0.6066 0.4251 0.3791 0.4753 0.3885 0.5774 0.4763 0.4737 0.5254 0.4856 0.4528 0.4538 0.4569 0.5303 0.5056 0.8262 0.4625 0.5158 0.4404 0.4269 0.4274 0.6346 0.529 0.5232 0.4323 0.4615 0.4348 0.437 0.5221 0.5157 0.3111 0.5095 0.4562 0.6097 0.3692 0.3736 0.4792 0.3741 0.3542 0.5334 0.3571 0.4316 0.5616 0.3461 1.1386 0.551 0.3344 0.6555 1.4142 0.6202 0.4884 0.7529 0.4393 0.4258 0.4765 0.5405 0.4747 0.6281 0.3638 0.3753 0.4019 0.5981 0.6147 0.4246 0.4619 0.7497 0.6225 0.4608 0.534 0.5281 0.4979 0.5606 Pyruvate 0.0416 0.0291 0.0675 0.0255 0.0275 0.0175 0.0429 0.0201 0.0502 0.0317 0.016 0.0113 0.0063 0.0224 0.0151 0.0095 0.0036 0.0038 0.0945 0.1353 0.0372 0.2459 0.1255 0.1336 0.1562 0.0965 0.1626 0.2693 0.2212 0.1382 0.2098 0.1719 0.32 0.1431 0.1276 0.1337 0.5023 0.0887 0.0872 0.2217 0.0826 0.214 0.3865 0.0231 0.1778 0.0872 0.1896 0.1555 0.152 0.2428 0.2679 0.0691 0.2153 0.0517 0.0945 0.1731 0.3698 0.1616 0.3712 0.0435 0.0652 0.1675 0.1795 0.0791 0.1225 0.0882 0.1326 0.3344 0.2211 0.1863 0.1451 0.2123 0.1731 0.2485 0.1622 0.2623 0.0978 0.1709 0.2367 0.1462 0.1985 0.251 0.1008 0.2428 0.2089 0.2135 0.136 0.1434 0.1489 0.1611 Threonine 0.1179 0.0852 0.1766 0.1125 0.129 0.1561 0.0331 0.1166 0.1588 0.1668 0.2042 0.1046 0.0705 0.1281 Tyrosine 0.0211 0.0264 0.0174 0.03 0.0246 0.0165 0.0162 0.0186 0.0399 0.0297 0.0407 0.0372 0.0263 0.0199 0.0293 0.0154 0.036 0.0211 0.0377 0.0251 0.0143 0.024 0.0276 0.0173 0.0225 0.0254 0.0265 0.0252 0.0224 0.0222 0.0226 0.0145 0.0286 0.0208 0.0213 0.0168 0.0236 0.0256 0.0259 0.0315 0.0185 0.0308 0.0259 0.0349 0.0208 0.0349 0.0199 0.0437 0.0301 0.0335 0.0175 0.0123 0.0192 0.0281 0.0182 0.0248 0.0179 0.029 0.0284 0.0499 0.0267 0.0237 0.0113 0.0185 0.0253 0.023 0.0144 0.0337 0.0273 0.0417 0.0316 0.027 0.0239 0.0261 0.0183 0.0193 0.0323 0.036 0.0308 0.0184 0.0282 0.0324 0.0142 0.0158 0.0186 0.033 0.0244 0.0213 0.0226 0.0345 Valine 0.0921 0.1144 0.1137 0.1289 0.1282 0.0786 0.1042 0.0826 0.1707 0.1317 0.1585 0.1263 0.1149 0.0858 0.1378 0.0744 0.0757 0.0764 0.166 0.0876 0.0422 0.0822 0.098 0.0749 0.097 0.1527 0.0994 0.0833 0.1015 0.0919 0.0664 0.0737 0.0652 0.06 0.0708 0.0757 0.122 0.115 0.1115 0.1276 0.1103 0.1401 0.0935 0.1076 0.0854 0.1077 0.0675 0.1472 0.0968 0.1262 0.0945 0.0738 0.0673 0.0688 0.0902 0.0746 0.0856 0.0871 0.1114 0.1117 0.0784 0.0889 0.0455 0.0839 0.0848 0.0731 0.0286 0.1308 0.0956 0.1323 0.0898 0.1047 0.0937 0.0789 0.0994 0.066 0.0781 0.1127 0.1099 0.0977 0.0842 0.0784 0.0641 0.0538 0.0528 0.0939 0.0966 0.097 0.0937 0.0985 sn-Glycero-3-phosphocholine 0.0965 0.0516 0.0751 0.0384 0.0298 0.0281 0.0404 0.0414 0.0697 0.04 0.0639 0.0512 0.0554 0.0599 0.0505 0.02 0.0305 0.0323 0.0777 0.0818 0.0242 0.0453 0.047 0.0224 0.0395 0.0401 0.0253 0.0605 0.043 0.051 0.0631 0.0556 0.0392 0.0355 0.0316 0.0308 0.0473 0.0678 0.0452 0.0567 0.0321 0.0265 0.0307 0.0448 0.0472 0.0517 0.038 0.0443 0.0424 0.0466 0.0244 0.0298 0.0346 0.031 0.0387 0.034 0.0399 0.0278 0.0279 0.0386 0.0586 0.0344 0.0076 0.03 0.0341 0.0448 0.0209 0.0529 0.0487 0.0223 0.0629 0.0543 0.0428 0.0436 0.0778 0.034 0.0586 0.0765 0.0454 0.0511 0.0564 0.0304 0.0308 0.0445 0.0341 0.0445 0.0446 0.0454 0.0425 0.0412 τ-Methylhistidine 0.0342 0.0331 0.0258 0.0366 0.039 0.0311 0.0254 0.0299 0.0411 0.0318 0.0282 0.0344 0.0244 0.0299 0.0447 0.0252 0.031 0.0348 0.0462 0.031 0.0153 0.0457 0.0347 0.0275 0.0423 0.0436 0.0346 0.0294 0.0345 0.0417 0.034 0.0294 0.0485 0.0284 0.0225 0.0384 0.0531 0.028 0.0337 0.0341 0.0219 0.0413 0.0152 0.0423 0.0197 0.0342 0.0318 0.038 0.0381 0.0356 0.028 0.0294 0.0295 0.0321 0.0302 0.0133 0.035 0.0287 0.0337 0.0466 0.0386 0.0229 0.0151 0.0273 0.0332 0.0165 0.0143 0.0346 0.0231 0.018 0.0138 0.0405 0.0439 0.0353 0.0483 0.0338 0.028 0.041 0.0416 0.0318 0.0337 0.0265 0.0317 0.0276 0.0247 0.0464 0.0311 0.0292 0.0242 0.0456 NMR_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Retention Index Moverz Quant Local ID PubChem CID KEGG ID mass spectrum 3-Hydroxybutyrate Acetate Acetone Adipate Alanine Betaine Choline Citrate Creatine Creatinine Glucose Glutamine Glycerate Glycine Isoleucine Isopropanol Lactate Leucine Malonate Methylamine O-Phosphocholine Propylene glycol Pyruvate Threonine Tyrosine Valine sn-Glycero-3-phosphocholine τ-Methylhistidine METABOLITES_END #END