#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