#METABOLOMICS WORKBENCH cascam07_20170513_091721 DATATRACK_ID:904 STUDY_ID:ST000608 ANALYSIS_ID:AN000931 PROJECT_ID:PR000445
VERSION             	1
CREATED_ON             	May 26, 2017, 11:40 am
#PROJECT
PR:PROJECT_TITLE                 	Comparing identified and statistically significant lipids and polar metabolites
PR:PROJECT_TITLE                 	in 15-year old serum and dried blood spot samples for longitudinal studies
PR:PROJECT_SUMMARY               	The use of dried blood spots (DBS) has many advantages over traditional plasma
PR:PROJECT_SUMMARY               	and serum samples such as the smaller blood volume required, storage at room
PR:PROJECT_SUMMARY               	temperature, and ability to sample in remote locations. However, understanding
PR:PROJECT_SUMMARY               	the robustness of different analytes in DBS samples is essential, especially in
PR:PROJECT_SUMMARY               	older samples collected for longitudinal studies. Here we analyzed the stability
PR:PROJECT_SUMMARY               	of polar metabolites and lipids in DBS samples collected in 2000-2001 and stored
PR:PROJECT_SUMMARY               	at room temperature. The identified and statistically significant molecules were
PR:PROJECT_SUMMARY               	then compared to matched serum samples stored at –80°C to determine if the
PR:PROJECT_SUMMARY               	DBS samples could be effectively used in a longitudinal study following
PR:PROJECT_SUMMARY               	metabolic disease. A total of 400 polar metabolites and lipids were identified
PR:PROJECT_SUMMARY               	in the serum and DBS samples using gas chromatograph/mass spectrometry (GC/MS),
PR:PROJECT_SUMMARY               	liquid chromatography (LC)/MS, and LC/ion mobility spectrometry-MS (LC/IMS-MS).
PR:PROJECT_SUMMARY               	The identified polar metabolites overlapped well between the sample types,
PR:PROJECT_SUMMARY               	though only one statistically significant metabolite was conserved in a
PR:PROJECT_SUMMARY               	case-control study of older diabetic males with low amounts of high-density
PR:PROJECT_SUMMARY               	lipoproteins and high body mass indices, triacylglycerides and glucose levels
PR:PROJECT_SUMMARY               	when compared to non-diabetic patients with normal levels, indicating that
PR:PROJECT_SUMMARY               	degradation in the DBS samples affects polar metabolite quantitation.
PR:PROJECT_SUMMARY               	Differences in the lipid identifications indicated that some oxidation occurs in
PR:PROJECT_SUMMARY               	the DBS samples. However, 36 statistically significant lipids correlated in both
PR:PROJECT_SUMMARY               	sample types. The difference in the number of statistically significant polar
PR:PROJECT_SUMMARY               	metabolites and lipids indicated that the lipids did not degrade to as great of
PR:PROJECT_SUMMARY               	a degree as the polar metabolites in the DBS samples and lipid quantitation was
PR:PROJECT_SUMMARY               	still possible.
PR:INSTITUTE                     	Pacific Northwest National Laboratory
PR:LAST_NAME                     	Casey
PR:FIRST_NAME                    	Cameron
PR:ADDRESS                       	902 Battelle Boulevard, Richland, WA, 99354, USA
PR:EMAIL                         	cameron.casey@pnnl.gov
PR:PHONE                         	509-371-6612
PR:FUNDING_SOURCE                	Portions of this research were supported by grants from the National Institute
PR:FUNDING_SOURCE                	of Environmental Health Sciences of the NIH (R01 ES022190), NIH Eunice Kennedy
PR:FUNDING_SOURCE                	Shriver National Institute of Child Health and Human Development (R21 HD084788),
PR:FUNDING_SOURCE                	National Institute of General Medical Sciences (P41 GM103493), and the
PR:FUNDING_SOURCE                	Laboratory Directed Research and Development Program at Pacific Northwest
PR:FUNDING_SOURCE                	National Laboratory. This research utilized capabilities developed by the
PR:FUNDING_SOURCE                	Pan-omics program (funded by the U.S. Department of Energy Office of Biological
PR:FUNDING_SOURCE                	and Environmental Research Genome Sciences Program) and by the National
PR:FUNDING_SOURCE                	Institute of Allergy and Infectious Diseases under grant U19 AI106772. The
PR:FUNDING_SOURCE                	Osteoporotic Fractures in Men (MrOS) Study in the US was supported by the
PR:FUNDING_SOURCE                	National Institute on Aging (NIA), the National Institute of Arthritis and
PR:FUNDING_SOURCE                	Musculoskeletal and Skin Diseases (NIAMS), the National Center for Advancing
PR:FUNDING_SOURCE                	Translational Sciences (NCATS), and NIH Roadmap for Medical Research under the
PR:FUNDING_SOURCE                	following grant numbers: U01 AG027810, U01 AG042124, U01 AG042139, U01 AG042140,
PR:FUNDING_SOURCE                	U01 AG042143, U01 AG042145, U01 AG042168, U01 AR066160, and UL1 TR000128. This
PR:FUNDING_SOURCE                	work was performed in the W. R. Wiley Environmental Molecular Sciences
PR:FUNDING_SOURCE                	Laboratory (EMSL), a DOE national scientific user facility at the Pacific
PR:FUNDING_SOURCE                	Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the DOE
PR:FUNDING_SOURCE                	under contract DE-AC05-76RL0 1830.
PR:PUBLICATIONS                  	Comparing identified and statistically significant lipids and polar metabolites
PR:PUBLICATIONS                  	in 15-year old serum and dried blood spot samples for longitudinal studies
PR:DOI                           	10.1002/rcm.7808
#STUDY
ST:STUDY_TITLE                   	Comparing identified and statistically significant lipids and polar metabolites
ST:STUDY_TITLE                   	in 15-year old serum and dried blood spot samples for longitudinal studies
ST:STUDY_SUMMARY                 	The use of dried blood spots (DBS) has many advantages over traditional plasma
ST:STUDY_SUMMARY                 	and serum samples such as the smaller blood volume required, storage at room
ST:STUDY_SUMMARY                 	temperature, and ability to sample in remote locations. However, understanding
ST:STUDY_SUMMARY                 	the robustness of different analytes in DBS samples is essential, especially in
ST:STUDY_SUMMARY                 	older samples collected for longitudinal studies. Here we analyzed the stability
ST:STUDY_SUMMARY                 	of polar metabolites and lipids in DBS samples collected in 2000-2001 and stored
ST:STUDY_SUMMARY                 	at room temperature. The identified and statistically significant molecules were
ST:STUDY_SUMMARY                 	then compared to matched serum samples stored at –80°C to determine if the
ST:STUDY_SUMMARY                 	DBS samples could be effectively used in a longitudinal study following
ST:STUDY_SUMMARY                 	metabolic disease. A total of 400 polar metabolites and lipids were identified
ST:STUDY_SUMMARY                 	in the serum and DBS samples using gas chromatograph/mass spectrometry (GC/MS),
ST:STUDY_SUMMARY                 	liquid chromatography (LC)/MS, and LC/ion mobility spectrometry-MS (LC/IMS-MS).
ST:STUDY_SUMMARY                 	The identified polar metabolites overlapped well between the sample types,
ST:STUDY_SUMMARY                 	though only one statistically significant metabolite was conserved in a
ST:STUDY_SUMMARY                 	case-control study of older diabetic males with low amounts of high-density
ST:STUDY_SUMMARY                 	lipoproteins and high body mass indices, triacylglycerides and glucose levels
ST:STUDY_SUMMARY                 	when compared to non-diabetic patients with normal levels, indicating that
ST:STUDY_SUMMARY                 	degradation in the DBS samples affects polar metabolite quantitation.
ST:STUDY_SUMMARY                 	Differences in the lipid identifications indicated that some oxidation occurs in
ST:STUDY_SUMMARY                 	the DBS samples. However, 36 statistically significant lipids correlated in both
ST:STUDY_SUMMARY                 	sample types. The difference in the number of statistically significant polar
ST:STUDY_SUMMARY                 	metabolites and lipids indicated that the lipids did not degrade to as great of
ST:STUDY_SUMMARY                 	a degree as the polar metabolites in the DBS samples and lipid quantitation was
ST:STUDY_SUMMARY                 	still possible.
ST:INSTITUTE                     	Pacific Northwest National Laboratory
ST:LAST_NAME                     	Casey
ST:FIRST_NAME                    	Cameron
ST:ADDRESS                       	902 Battelle Boulevard, Richland, WA, 99354, USA
ST:EMAIL                         	cameron.casey@pnnl.gov
ST:PHONE                         	509-371-6612
#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           	PO6573	OHSUblotter_PO6573_1	Sample_Type:blotter | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6573	OHSUblotter_PO6573_2	Sample_Type:blotter | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6573	OHSUblotter_PO6573_3	Sample_Type:blotter | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6716	OHSUblotter_PO6716_1	Sample_Type:blotter | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6716	OHSUblotter_PO6716_2	Sample_Type:blotter | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6716	OHSUblotter_PO6716_3	Sample_Type:blotter | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6764	OHSUblotter_PO6764_1	Sample_Type:blotter | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6764	OHSUblotter_PO6764_2	Sample_Type:blotter | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6764	OHSUblotter_PO6764_3	Sample_Type:blotter | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6882	OHSUblotter_PO6882_1	Sample_Type:blotter | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6882	OHSUblotter_PO6882_2	Sample_Type:blotter | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6882	OHSUblotter_PO6882_3	Sample_Type:blotter | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6927	OHSUblotter_PO6927_1	Sample_Type:blotter | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6927	OHSUblotter_PO6927_2	Sample_Type:blotter | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6927	OHSUblotter_PO6927_3	Sample_Type:blotter | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6935	OHSUblotter_PO6935_1	Sample_Type:blotter | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6935	OHSUblotter_PO6935_2	Sample_Type:blotter | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6935	OHSUblotter_PO6935_3	Sample_Type:blotter | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6976	OHSUblotter_PO6976_1	Sample_Type:blotter | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6976	OHSUblotter_PO6976_2	Sample_Type:blotter | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6976	OHSUblotter_PO6976_3	Sample_Type:blotter | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO7117	OHSUblotter_PO7117_1	Sample_Type:blotter | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO7117	OHSUblotter_PO7117_2	Sample_Type:blotter | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO7117	OHSUblotter_PO7117_3	Sample_Type:blotter | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO7324	OHSUblotter_PO7324_1	Sample_Type:blotter | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO7324	OHSUblotter_PO7324_2	Sample_Type:blotter | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO7324	OHSUblotter_PO7324_3	Sample_Type:blotter | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO7355	OHSUblotter_PO7355_1	Sample_Type:blotter | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO7355	OHSUblotter_PO7355_2	Sample_Type:blotter | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO7355	OHSUblotter_PO7355_3	Sample_Type:blotter | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6573	OHSUserum_PO6573_1	Sample_Type:serum | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6573	OHSUserum_PO6573_2	Sample_Type:serum | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6573	OHSUserum_PO6573_3	Sample_Type:serum | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6716	OHSUserum_PO6716_1	Sample_Type:serum | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6716	OHSUserum_PO6716_2	Sample_Type:serum | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6716	OHSUserum_PO6716_3	Sample_Type:serum | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6764	OHSUserum_PO6764_1	Sample_Type:serum | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6764	OHSUserum_PO6764_2	Sample_Type:serum | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6764	OHSUserum_PO6764_3	Sample_Type:serum | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6882	OHSUserum_PO6882_1	Sample_Type:serum | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6882	OHSUserum_PO6882_2	Sample_Type:serum | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6882	OHSUserum_PO6882_3	Sample_Type:serum | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6927	OHSUserum_PO6927_1	Sample_Type:serum | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6927	OHSUserum_PO6927_2	Sample_Type:serum | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6927	OHSUserum_PO6927_3	Sample_Type:serum | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6935	OHSUserum_PO6935_1	Sample_Type:serum | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6935	OHSUserum_PO6935_2	Sample_Type:serum | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6935	OHSUserum_PO6935_3	Sample_Type:serum | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO6976	OHSUserum_PO6976_1	Sample_Type:serum | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO6976	OHSUserum_PO6976_2	Sample_Type:serum | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO6976	OHSUserum_PO6976_3	Sample_Type:serum | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO7117	OHSUserum_PO7117_1	Sample_Type:serum | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO7117	OHSUserum_PO7117_2	Sample_Type:serum | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO7117	OHSUserum_PO7117_3	Sample_Type:serum | Factor:control	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO7324	OHSUserum_PO7324_1	Sample_Type:serum | Factor:case	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO7324	OHSUserum_PO7324_2	Sample_Type:serum | Factor:case	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO7324	OHSUserum_PO7324_3	Sample_Type:serum | Factor:case	Replicate=3
SUBJECT_SAMPLE_FACTORS           	PO7355	OHSUserum_PO7355_1	Sample_Type:serum | Factor:control	Replicate=1
SUBJECT_SAMPLE_FACTORS           	PO7355	OHSUserum_PO7355_2	Sample_Type:serum | Factor:control	Replicate=2
SUBJECT_SAMPLE_FACTORS           	PO7355	OHSUserum_PO7355_3	Sample_Type:serum | Factor:control	Replicate=3
#COLLECTION
CO:COLLECTION_SUMMARY            	Matched DBS and serum samples were simultaneously collected in 2000–2001 from
CO:COLLECTION_SUMMARY            	10 overnight fasted male participants having an average age of 75.5 ± 6.15
CO:COLLECTION_SUMMARY            	years. The institutional review boards at the participating institutions
CO:COLLECTION_SUMMARY            	approved the protocol and the study participants provided informed consent. Case
CO:COLLECTION_SUMMARY            	participants included 5 diabetic men with high BMIs, TGs and glucose levels, and
CO:COLLECTION_SUMMARY            	low amounts of HDL. The 5 control participants had normal metabolic profiles
CO:COLLECTION_SUMMARY            	(normal BMIs, TGs, HDL and glucose levels).
CO:STORAGE_CONDITIONS            	The DBS were stored at room temperature in the dark until analysis, while the
CO:STORAGE_CONDITIONS            	serum was stored at –80°C.
#TREATMENT
TR:TREATMENT_SUMMARY             	Samples collected in 2000–2001 were stored until June 2015.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For the serum samples, 10 mL of whole blood was drawn and centrifuged so the
SP:SAMPLEPREP_SUMMARY            	serum could be extracted. For the DBS samples, 500 μL of blood was collected
SP:SAMPLEPREP_SUMMARY            	and 125 μL was blotted in four areas on a Whatman FTA Classic Card. Polar
SP:SAMPLEPREP_SUMMARY            	metabolites and lipid extracts were derived from the same sample type (DBS or
SP:SAMPLEPREP_SUMMARY            	serum) using a modified Folch extraction in June 2015 and analyzed with MS
SP:SAMPLEPREP_SUMMARY            	shortly after. The DBS punch from each patient was transferred into to a 2.0 mL
SP:SAMPLEPREP_SUMMARY            	tube where 50 μL of water and then 1200 μL of –20°C 2:1 chloroform/methanol
SP:SAMPLEPREP_SUMMARY            	were added. Each sample was vortexed for 30 s then transferred into a shaker at
SP:SAMPLEPREP_SUMMARY            	22°C for 60 min at 600 rpm. The samples were vortexed again for 30 s and then
SP:SAMPLEPREP_SUMMARY            	250 μL of water was added to induce a phase separation. The sample was gently
SP:SAMPLEPREP_SUMMARY            	inverted several times, placed at room temperature for 5 min and then
SP:SAMPLEPREP_SUMMARY            	centrifuged at 10,000 g for 5 min at 4°C and put on ice to maintain the clear
SP:SAMPLEPREP_SUMMARY            	phase separation. Finally, 400 μL of the top polar layer was removed, dried in
SP:SAMPLEPREP_SUMMARY            	a Speedvac, and stored at –80°C for analysis of polar metabolites, while 700
SP:SAMPLEPREP_SUMMARY            	μL of the bottom nonpolar layer was removed, dried in a Speedvac, and stored at
SP:SAMPLEPREP_SUMMARY            	–20°C in 250 μL of 2:1 chloroform/methanol for lipid analyses. Serum lipids
SP:SAMPLEPREP_SUMMARY            	were extracted using a similar procedure except 25 μL of serum was used and
SP:SAMPLEPREP_SUMMARY            	then 600 μL of –20°C 2:1 chloroform/methanol was added. After vortexing and
SP:SAMPLEPREP_SUMMARY            	shaking, 125 μL of water was added to induce a phase separation and 200 μL of
SP:SAMPLEPREP_SUMMARY            	the top polar layer and 350 μL of the bottom nonpolar lipid layer were removed
SP:SAMPLEPREP_SUMMARY            	and stored as outlined above. Prior to analysis, the total lipid extracts were
SP:SAMPLEPREP_SUMMARY            	dried down and then reconstituted in 70 μL and 100 μL of MeOH for the DBS and
SP:SAMPLEPREP_SUMMARY            	serum samples, respectively. To generate pooled case and control samples for
SP:SAMPLEPREP_SUMMARY            	LC/MS/MS and LC/IMS-MS analyses, 5 μL aliquots from each reconstituted DBS and
SP:SAMPLEPREP_SUMMARY            	serum sample were removed and combined.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890A
CH:COLUMN_NAME                   	Agilent HP5-MS (30m × 0.25mm, 0.25 um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 7890A
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak Area
MS_METABOLITE_DATA_START
Samples	OHSUserum_PO6573_1	OHSUserum_PO6573_2	OHSUserum_PO6573_3	OHSUserum_PO6716_1	OHSUserum_PO6716_2	OHSUserum_PO6716_3	OHSUserum_PO6764_1	OHSUserum_PO6764_2	OHSUserum_PO6764_3	OHSUserum_PO6882_1	OHSUserum_PO6882_2	OHSUserum_PO6882_3	OHSUserum_PO6927_1	OHSUserum_PO6927_2	OHSUserum_PO6927_3	OHSUserum_PO6935_1	OHSUserum_PO6935_2	OHSUserum_PO6935_3	OHSUserum_PO6976_1	OHSUserum_PO6976_2	OHSUserum_PO6976_3	OHSUserum_PO7117_1	OHSUserum_PO7117_2	OHSUserum_PO7117_3	OHSUserum_PO7324_1	OHSUserum_PO7324_2	OHSUserum_PO7324_3	OHSUserum_PO7355_1	OHSUserum_PO7355_2	OHSUserum_PO7355_3	OHSUblotter_PO6573_1	OHSUblotter_PO6573_2	OHSUblotter_PO6573_3	OHSUblotter_PO6716_1	OHSUblotter_PO6716_2	OHSUblotter_PO6716_3	OHSUblotter_PO6764_1	OHSUblotter_PO6764_2	OHSUblotter_PO6764_3	OHSUblotter_PO6882_1	OHSUblotter_PO6882_2	OHSUblotter_PO6882_3	OHSUblotter_PO6927_1	OHSUblotter_PO6927_2	OHSUblotter_PO6927_3	OHSUblotter_PO6935_1	OHSUblotter_PO6935_2	OHSUblotter_PO6935_3	OHSUblotter_PO6976_1	OHSUblotter_PO6976_2	OHSUblotter_PO6976_3	OHSUblotter_PO7117_1	OHSUblotter_PO7117_2	OHSUblotter_PO7117_3	OHSUblotter_PO7324_1	OHSUblotter_PO7324_2	OHSUblotter_PO7324_3	OHSUblotter_PO7355_1	OHSUblotter_PO7355_2	OHSUblotter_PO7355_3
Factors	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:case	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:serum | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:case	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control	Sample_Type:blotter | Factor:control
1-monopalmitin	240149.2	236012.7	236880.1	207350.7	213129.1	208770.3	280531.9	286945.8	273293.6	218446.0	223345.5	209048.6	365847.0	375680.9	367254.5	310796.7	334698.0	318147.4	462659.4	469309.9	473350.7	111100.8	122952.3	114226.5	359869.6	346594.7	410022.8	306838.8	311280.5	314527.7	214346.5	222806.6	216461.9	385939.5	361069.1	368264.1	317238.9	302002.4	301263.5	129037.0	137813.1	128213.9	290068.8	295948.6	312018.0	164040.8	161680.1	172509.7	177868.6	189621.5	201516.7	166587.3	164534.9	167803.8	242563.5	223165.9	226070.8	162805.7	169043.2	161553.1
2-hydroxybutyric acid	2202968.5	2269845.0	2339192.6	7622064.5	7825872.6	7634322.2	2758877.3	2717297.5	2665863.9	2203074.7	2172165.7	2147673.3	4980812.4	5093813.1	4770713.5	1275395.7	1312237.8	1306309.2	2235129.4	2220600.7	2300067.9	1182316.8	1194343.0	1202279.7	4098665.2	3991996.6	4675167.2	1525344.9	1533323.1	1595019.1	4468335.4	4540906.7	4736690.4	5123910.9	4833692.6	5257327.4	5335153.3	5464038.3	5225228.2	5132890.6	5163454.3	5032516.7	5431507.4	5722868.4	5822024.0	5095703.5	4896087.7	5135960.3	7019422.5	7387008.9	7462611.5	6003431.4	5806963.1	5741056.9	5768995.4	5452244.2	5502659.2	4885426.2	4893125.3	5248203.2
2-ketoisocaproic acid	529163.6	514305.5	551712.5	1019386.2	1040307.1	1049379.1	669390.8	665355.4	648141.3	671419.3	660702.2	655942.3	605345.1	669613.0	580421.2	454497.1	454642.7	448333.6	596984.2	584468.3	650561.3	391957.7	401525.6	372268.0	575089.0	591362.1	691639.2	443251.9	431806.6	468421.8	136701.4	126757.5	157302.4	60528.5	18731.1	18747.7	21017.0	0.0	18983.7	84248.4	164215.4	6963.9	17217.1	138541.7	132261.6	115045.0	23853.7	115752.3	27606.1	114404.3	10662.2	109974.3	84549.7	50242.2	112293.6	114313.7	118201.2	85247.4	100667.3	140513.0
3,4-dihydroxybutyric acid	52941.2	45446.7	62472.5	97363.8	88165.2	91562.4	52856.7	61100.7	47963.9	66825.0	64865.7	61474.0	86577.6	102413.3	86800.2	41703.6	42196.9	52118.7	98206.5	98985.4	96211.1	80496.2	87107.7	87544.5	96174.1	99131.1	84300.9	53911.8	60928.9	53656.8	1009798.0	990574.1	1012790.9	954554.1	965405.4	969464.6	958564.6	940999.6	955634.3	902144.4	909760.6	870863.6	990217.3	1033629.9	1032387.7	940391.8	891863.7	926215.2	1044901.6	1075077.3	1099186.0	1132928.3	1083343.7	1038182.3	1093370.0	1061411.2	1069911.5	952296.3	963577.3	989717.1
3-hydroxybutyric acid	5583895.9	5569494.0	5704397.3	5267567.6	5280406.0	5300145.6	891290.6	920232.0	872210.5	6750346.2	6743674.2	6614207.7	6497205.3	6365302.5	6309857.3	1018578.4	1030527.4	1033042.8	1206399.8	1214281.3	1241988.1	1896454.0	1920894.7	1944042.2	5053264.4	4880095.0	5603479.5	980222.5	992866.6	1011980.5	1277722.8	1272207.0	1258676.9	923708.4	1043305.8	1016546.2	350160.5	323516.0	365526.0	1837499.6	1871108.3	1885710.2	1803258.4	1792933.6	1832763.4	463448.1	412843.3	458254.4	354431.9	404765.4	409695.6	690300.6	723842.7	633784.2	1535925.3	1497303.2	1455205.5	420450.9	385493.4	416349.4
3-phosphoglycerate	5397.8	22651.0	58722.4	0.0	18956.0	41031.9	12656.9	20665.0	37604.1	8571.2	15631.2	40106.4	7988.6	21171.4	47656.0	0.0	14488.1	44237.8	5613.0	29986.2	67737.1	0.0	26808.2	43671.1	5095.4	28463.3	68477.6	7965.3	19186.1	59353.2	950127.8	922958.1	998402.0	942219.9	930177.1	938603.7	1467518.3	1473671.3	1462500.8	1256503.8	1269394.2	1232047.8	1349667.6	1367846.8	1338115.6	1082326.2	1091535.8	1030966.9	2947158.7	2877675.8	2976790.4	1249666.4	1066134.6	1196284.8	1238633.2	1247227.9	1118674.1	892343.5	910732.8	881642.8
4-hydroxy-L-proline	1844450.0	1886162.0	1810820.1	2330366.2	2253784.6	2361310.5	1532914.7	1753671.9	1730109.2	1075435.9	1050505.3	1014917.2	2278900.3	2209169.4	2169684.3	1499521.7	1554548.3	1479642.8	3240669.5	3327764.1	3242648.0	993528.1	988922.0	1027815.4	1303522.9	1192089.2	1437487.6	1586206.5	1599274.7	1592753.8	978067.7	952696.2	167318.9	784825.7	729942.7	820279.2	779662.6	850404.2	154695.5	961850.7	971770.2	1046688.6	1109589.0	1162403.5	1098720.1	989277.0	950312.1	176960.6	685673.1	1386607.4	1333379.5	1091799.6	1076808.2	571176.6	1344950.8	1083295.9	1090858.3	1112798.5	1062874.7	1170143.7
5-hydroxy-L-tryptophan	24677.8	29521.3	40434.1	61844.9	60326.1	57004.9	46404.2	29295.1	42134.4	20541.8	20474.9	21855.6	27756.6	20519.4	19975.7	29040.5	33221.8	33444.6	21242.6	18811.3	22930.0	25617.0	23246.4	24963.7	21904.4	12396.1	27652.1	11710.0	11535.9	20476.1	42601894.0	39943101.2	43135944.9	22881531.0	21803043.4	20860334.6	18270382.8	21065487.1	18104783.8	43422637.1	47059241.5	45501160.6	48374823.3	50343409.3	45409794.9	36838154.2	32410428.9	32709447.2	47347820.9	58993051.8	60316645.6	62383350.9	63551167.9	69985035.6	52970734.2	51146184.2	51186044.2	56120618.0	55418691.8	65652708.7
7β-hydroxycholesterol	90187.8	88026.7	83690.5	59259.2	20166.1	53599.8	93628.4	92303.2	90999.3	51047.6	50148.2	53342.9	51291.8	46843.6	43263.6	72891.7	79658.9	72005.8	57972.6	67578.1	66809.4	45208.5	52378.9	49148.8	35418.2	36466.4	16791.5	45774.9	42131.3	39715.5	1679267.1	1586821.9	1635724.4	2117810.5	1891921.9	2038809.9	1961502.4	2076192.7	1880492.0	1995240.6	2098550.6	1971614.9	1928227.9	1971974.1	2119829.2	2226401.5	2073557.3	2225127.5	1635224.9	1877153.8	1832523.2	1500900.6	1605982.3	1553232.4	1558544.0	1316603.9	1425241.5	1354295.2	1333320.4	1673892.4
acetylsalicylic acid (aspirin)	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	150860.9	144905.1	153914.8	0.0	0.0	0.0	0.0	0.0	0.0	7496987.2	7489094.3	7704706.3	14016946.6	14660953.3	14239458.0	3769140.9	3909620.4	3981475.7	0.0	0.0	0.0	0.0	5157.5	0.0	0.0	40534.7	41958.1	3921.4	0.0	0.0	1315.2	0.0	42205.7	5773.3	8543.5	0.0	0.0	10784.0	1434.6	1329880.6	1521784.3	1531052.1	3062679.6	3050744.2	2357166.4	596917.7	569176.2	568285.1	7036.1	2990.8	4553.8
adenosine monophosphate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5931.4	4998.0	0.0	0.0	0.0	910.0	0.0	0.0	3172.1	0.0	0.0	0.0	5245221.1	5295998.4	5452097.4	5993729.1	5989682.4	6397588.7	6898475.6	7180635.3	6697382.8	6025033.7	6179675.7	6189944.7	5504708.9	5580593.8	6049391.3	5860512.6	5446533.7	6155533.9	5829487.5	6217421.4	6486728.4	4293186.0	4061945.6	4428767.8	7158639.6	6028182.0	6751919.1	3288759.9	3123110.0	3837767.1
allantoin	0.0	0.0	11321.1	0.0	6471.7	26902.9	0.0	19064.0	13162.8	7785.1	0.0	9155.3	62638.3	57651.3	62816.1	66009.0	67417.4	69775.1	56755.9	72276.2	70115.2	62636.3	68404.9	15788.1	59014.9	64582.7	72001.7	96507.1	111071.7	116488.5	1462633.5	1588778.5	1730996.6	2240639.1	2434446.4	2471813.5	2407461.6	2343935.8	2559010.7	2047576.2	2256392.5	2460474.3	2328028.6	2436288.3	2506165.0	3432705.1	3754933.8	3678785.1	2838814.6	2313440.7	2214295.5	2995902.3	2962466.1	2937511.2	4853775.4	4991259.9	4259229.7	4037324.8	4063015.5	4132558.1
alloxanoic acid	39135.1	34955.8	34829.2	44385.0	41554.1	37941.2	27257.0	319.0	27470.9	33363.4	36253.0	30555.2	557.6	5685.8	0.0	20165.0	24033.8	164.2	25806.8	29631.6	25785.5	22897.1	28927.4	26727.6	26261.2	27449.8	39572.3	37482.8	32990.0	34860.1	2053950.5	2107712.5	2106321.9	2875389.4	2822925.7	3013208.8	2726820.0	2753677.2	2740489.1	2156145.0	1946215.9	2122249.5	2786234.2	2989999.1	3027282.0	2702617.6	2593257.6	2633906.9	2195360.9	2626413.8	2661526.8	1480348.8	1523824.0	1542846.0	2170435.2	1879024.8	2125011.0	1484454.0	1673444.1	1836220.6
alpha ketoglutaric acid	135900.4	139772.9	137807.4	179180.8	196738.1	176347.2	173941.7	161858.3	159709.0	191065.1	199096.9	183941.5	202793.1	215980.5	207102.2	120388.1	131644.8	135098.4	179375.8	193246.8	187746.7	198702.5	208302.4	203362.3	237623.1	216290.3	240394.4	165696.2	166865.8	162612.3	177974.5	172266.2	179242.1	167910.7	181107.4	180207.4	212589.7	206235.7	213541.4	189677.8	200586.3	181923.2	214572.9	222618.9	221701.3	234192.1	239548.6	237931.8	278890.3	318455.5	311168.6	227161.6	206679.9	201510.9	194400.5	191479.4	181354.0	215695.0	209395.2	222625.9
alpha tocopherol	3822180.5	3842800.6	3532709.0	2644615.1	2683454.9	2385689.4	4296025.0	4315475.2	4049822.4	2367783.0	2384815.4	2225734.4	2290571.8	2300227.1	2022171.5	3393254.3	3344260.3	3466144.5	2794528.9	2910555.5	3114894.9	2143202.3	2411780.5	2577012.0	1842454.9	1766362.0	943464.0	1808442.1	1726520.1	1895187.9	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
aminomalonic acid	2264573.9	2284054.0	2363034.5	2760887.3	2842171.9	2857964.6	2888083.3	2883830.1	2830054.6	4823560.1	4803132.5	4803453.6	1273828.3	1205235.2	1185003.1	2575502.7	2617652.4	2631860.7	2744518.3	2711027.5	2658678.1	3152397.5	3262552.9	3201247.7	1903893.1	1881904.7	2173165.5	4090592.0	4064997.4	4173939.8	56729.5	50117.5	76024.9	64363.3	66781.0	63454.6	48650.1	57474.7	39241.5	44913.4	57458.2	48295.3	98198.4	116255.6	109158.7	64760.8	54914.7	68129.0	20311.6	94830.5	22746.9	16430.0	0.0	56064.2	64675.9	21707.0	63003.0	0.0	0.0	0.0
arachidic acid	128837.4	91568.0	77964.6	107160.7	93750.0	147784.4	109956.5	73713.3	91451.7	107613.8	140241.0	126575.5	108289.2	125155.3	91598.5	62589.5	65934.8	69550.3	103484.7	96718.5	141588.7	129388.6	92406.2	88574.6	110885.0	90846.1	91646.8	67348.7	113405.7	109333.0	473755.8	443841.5	471343.1	266432.4	252292.7	243286.0	212788.2	244445.9	212145.9	483915.0	520390.2	496600.1	535686.5	562054.9	505015.7	414981.7	370612.2	371109.8	522375.9	654694.9	677689.9	697210.3	717871.3	792408.1	598081.8	563442.0	564448.5	628048.0	612344.9	738900.1
arachidonic acid	183290.6	227320.6	218955.9	375922.2	400871.1	403998.7	231109.2	197748.2	186437.5	237730.1	240604.8	235672.3	275486.4	273947.0	269996.0	208359.5	222709.2	205447.7	184907.0	186649.8	197350.4	218294.6	264029.0	249395.4	380075.5	407746.9	533135.6	192248.6	200576.8	193990.0	145304.5	229955.5	332347.0	255439.8	259370.4	247921.0	280159.4	283081.8	295035.9	340964.7	238849.5	276640.0	302452.8	393686.5	403458.2	247104.1	293159.5	322365.3	296660.0	498425.4	514472.3	362119.2	355580.5	358020.4	326911.3	307864.6	305915.7	246207.2	272218.2	291761.9
beta-tocopherol	170505.7	174193.0	159338.3	570784.6	608946.3	459550.1	529216.2	511357.5	502612.9	602955.8	522444.3	541220.8	759504.9	713983.5	610772.7	495280.3	481343.6	406102.0	167115.3	241490.1	185999.1	205104.0	235845.3	242584.3	750490.7	696465.5	528883.4	257490.9	238363.8	342597.7	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
biphosphoglyceric acid	45078.3	50921.8	32273.4	34242.8	44616.0	35051.4	55475.2	50854.6	45401.3	56585.6	58773.4	42630.7	83264.7	43483.8	59237.6	69698.4	40681.4	50922.2	69032.8	49168.2	54568.7	68914.9	72318.4	62121.9	73608.5	72376.4	84379.1	57323.5	67069.8	43445.9	8998488.5	8741948.3	9317736.3	8316811.7	7695029.7	8054979.3	10096470.9	9017361.8	8491667.4	12417694.1	12589417.0	12285161.9	9620733.6	10167234.3	10222945.0	11525741.4	11167251.8	11691447.5	12070037.3	14333590.0	12632496.1	10519876.8	10664017.2	10453271.7	11741133.3	10884154.5	10738303.3	9616578.2	11030588.6	10698933.5
biuret	9956.9	12320.1	11398.3	5474.3	0.0	9869.6	5939.2	710.2	9972.7	9220.7	19119.1	18484.5	0.0	4123.6	11079.5	11794.3	4154.1	570.3	5851.3	12248.6	7699.9	11270.9	10933.8	14539.5	6440.5	9453.4	19422.3	11721.7	294.8	14782.9	2172357.7	2220187.9	2305070.3	1871047.1	1860683.7	1918808.5	2135174.2	2246694.2	2161641.1	2149617.9	2246225.2	2145741.6	2751551.2	2929270.1	2948707.8	2834316.4	2825243.9	2842551.5	2649464.0	2842932.3	2851006.7	2923322.5	2838984.9	2815313.6	2882983.8	2841104.4	2734022.2	2584372.1	2639800.5	2726999.6
capric acid	314145.9	308574.2	348735.4	504521.0	534736.0	553014.2	190084.9	188543.5	201418.8	452718.2	476830.7	462534.3	385000.9	395855.4	281744.0	350519.8	239625.2	263310.5	184058.2	240112.9	288557.1	412040.8	428823.7	416481.8	444794.5	428098.4	478282.8	279067.9	221649.6	274368.2	1154036.3	1193121.3	1259615.1	1029883.5	1476834.1	861398.5	1066844.6	947543.6	960996.6	1121317.5	1106117.9	926727.6	1175180.0	1238098.7	1287596.9	1027074.9	1124655.0	1182936.6	1268635.5	1359716.5	1318558.1	1335478.1	1301289.7	864299.9	1214275.0	1199361.6	1121599.0	1105305.7	1109620.6	1215772.6
carbonate ion	74065759.8	75239544.3	77009785.7	75998365.9	76718557.1	77024658.8	83869216.9	83459077.6	82415354.7	87625977.7	88060831.6	86554475.6	70255450.3	69173829.2	68515703.6	75932498.0	77635473.1	76278943.5	76329152.0	75954140.0	77427030.4	77289367.8	78001661.6	78076795.1	62858527.0	61019339.3	61428140.7	78578543.4	78759423.1	79990675.4	1431186.9	1167291.3	1253637.9	1968363.6	1847654.6	1972427.6	2578699.1	2254855.4	2209348.3	2662326.3	2699646.5	2396571.0	2150143.7	1816626.3	1792254.0	1548150.7	1411680.5	1281603.8	1320336.4	1313362.5	1508989.9	1825360.1	1510563.0	1505949.1	2233648.8	1799851.7	1697924.5	2216188.3	1804019.5	1953418.8
cholesterol	26153261.1	25819812.1	25117431.2	27027964.0	26602635.8	25719652.8	24011986.0	23922402.4	22664763.5	23809618.8	23119270.7	22414180.1	22229589.5	22733380.3	21143099.7	24199527.0	24541252.1	24970207.0	15717671.3	16241452.4	17494980.3	19146906.3	21038290.7	21424953.1	20361647.7	19935582.0	13474666.4	18530764.5	17765379.8	18814258.7	12496643.2	12127558.2	12698674.7	12017162.9	11434268.6	11794302.9	10987495.7	11881658.0	10886803.0	13286092.6	13645350.6	13513588.9	11627915.2	12184686.3	12291449.1	13566942.0	12598343.8	13391748.2	10051948.4	11015419.7	11191929.8	10747316.0	10647523.0	10911524.8	11848960.6	10678742.4	11289387.9	10272903.0	10258984.4	11757251.3
citric acid	4948887.4	4903385.5	4955934.5	5066620.6	5217541.4	5240869.3	3014274.3	2964343.9	2837650.4	6377645.7	6418781.9	6322490.2	2416125.8	2385033.9	2334214.6	3083709.3	3147394.9	3084029.3	4953858.0	5043641.7	5204649.9	4841316.9	4953501.8	4947354.3	5838873.4	5671787.8	6478456.6	4173144.2	4197111.6	4230017.2	2700567.5	2894771.6	3013735.7	1516425.9	1566915.0	1503333.7	1321896.6	1320846.7	1226621.2	3261221.8	3367602.7	2623502.4	1979695.8	2292961.5	3355270.7	2194170.6	1970665.0	2286647.9	4323880.0	4704805.5	4872056.7	3926693.7	4007762.3	3836055.1	3454841.7	3300198.4	4594524.7	3766005.1	3710697.1	4184423.6
creatinine	2701564.0	2791137.3	2511738.8	6062579.6	6118290.4	5643936.5	3932971.4	3750276.2	3787079.1	2485356.5	2478475.1	2312866.8	3264513.5	3551102.8	3381509.7	1980582.3	1827416.8	2028981.1	2822891.0	3299483.5	3102950.0	2197544.3	2263912.3	2042843.1	1807813.1	2011694.6	2170315.8	2160040.8	1910231.1	1734970.5	550073.9	587137.3	637143.4	82125.5	91058.6	93830.3	87623.9	90716.6	93476.0	783683.6	822216.3	829273.9	5639806.8	6097450.8	6282069.6	925870.1	927953.6	952803.4	7898457.7	8066603.0	8200164.1	8211279.0	8154415.3	8272474.9	9131011.8	9129415.6	8880952.6	8809023.9	9134716.7	9488214.2
D-glucose	151099365.7	154164120.4	156709811.2	241556970.8	244227621.5	246771816.2	201375679.0	201990238.3	199306945.2	156813108.7	157256657.4	155337357.1	170948899.9	175543869.6	172281840.8	153436378.5	155682476.1	153231019.4	181151777.6	179927855.9	193894473.7	154487079.4	156347422.2	156340897.7	185604793.1	183090857.8	183355925.4	151179129.6	152165614.4	153853587.8	184925.9	177810.9	193316.7	323745.5	318033.5	444586.8	258085.0	259559.5	290775.0	175743.9	186778.1	179712.0	253092.6	227100.2	252278.4	241809.9	248071.7	249595.2	263556.2	339469.3	433715.2	270509.8	263759.6	260861.4	384540.2	347383.1	356264.7	287038.8	271523.8	268822.4
DL-isoleucine	6021773.9	6307171.5	6386879.6	15858425.2	13991697.9	15781679.1	6428279.2	7641900.5	7794218.0	6422125.0	6505566.1	6354947.1	5837836.1	3921207.3	5792353.5	5181498.1	5250061.8	5193082.3	7045498.3	7028542.8	7274848.3	5260762.6	4513058.0	5399239.5	7379455.7	5255252.5	8764944.1	5128686.4	5164115.1	3287447.4	91641.1	32723.5	86763.9	32553.9	104914.5	2278225.7	85865.9	29862.4	58138.8	21317.2	20683.7	1337672.0	1414448.6	27535.0	26078.5	31789.2	1408862.4	94957.7	1877995.8	70383.2	1886945.7	27461.6	34891.2	1381045.5	32055.4	126003.6	62641.7	35989.2	35001.8	34820.6
D-mannitol	175444.9	148047.5	156207.8	95601.4	95332.9	107042.8	149651.3	151756.1	151900.1	55020.3	56219.2	57478.8	106198.6	103600.1	103929.0	81621.6	103260.6	89591.6	236945.6	234998.5	254663.8	57290.2	64247.5	61469.9	76382.2	69135.2	77509.4	123545.1	130476.3	122942.5	32350.4	31693.0	24929.9	34957.1	55757.1	25145.2	23157.7	4069.9	16275.0	46177.6	48101.7	45634.5	77052.8	9797.4	28094.0	15141.8	13643.8	26042.2	158157.1	61730.0	175150.1	13955.2	18300.2	16278.3	39232.1	39497.8	27043.3	77210.0	72618.8	83801.2
D-mannose	7650250.3	7763477.9	7915148.8	20340441.7	20434093.2	20730632.4	13244675.8	13188029.3	12974562.4	6610801.7	6704773.1	6469768.5	13678422.8	13628308.9	13393552.3	7783774.9	7964260.4	7678912.9	12012838.9	12130643.3	12355637.2	8554564.6	8775054.9	8836551.1	9913244.4	9635601.1	11241360.9	7491792.4	7799043.2	7782142.4	93835.8	68285.1	102420.4	1095390.7	1048421.9	1118961.4	344655.6	363828.7	353967.2	83230.9	64669.3	42894.5	78232.1	112267.5	101373.9	138465.2	142980.9	139033.0	120771.4	132434.6	180875.8	112434.2	148363.5	104375.8	141890.9	163115.7	166097.8	60692.0	158848.5	146862.1
docosanol	70463.3	30536.3	49038.2	0.0	102987.1	68721.1	0.0	0.0	25299.5	28353.8	0.0	26859.3	17987.5	0.0	14269.4	54274.2	25902.3	38564.7	6089.7	39351.1	39638.6	22114.2	23395.8	41496.1	24302.7	19980.4	67282.0	26540.8	52528.4	35926.0	536281.0	503448.3	514728.5	284221.6	379360.6	381090.8	428647.2	441458.4	507118.2	489570.2	495018.0	520510.8	502800.5	526493.4	597555.2	522433.3	480609.5	500855.5	518240.5	596058.2	713577.1	706941.8	636675.7	574103.2	583097.3	632503.0	571085.8	602085.4	617893.2	634379.3
dodecanol	128689.1	216982.8	231562.0	204068.0	343359.0	343327.2	312712.3	189315.8	181344.6	202151.7	210734.6	198301.8	223463.1	174965.0	231845.2	266247.7	232798.0	179496.5	278082.1	312443.4	299430.3	191570.6	236466.4	233020.7	217247.8	263207.6	210893.9	176489.2	185879.1	163157.1	109393116.1	114634230.2	121641268.3	79484954.1	87559828.2	87302141.2	100649618.5	111541416.6	111398126.9	143897819.8	148969259.7	157537291.8	172960692.7	183945232.1	190342068.0	163952979.6	167945878.9	169728688.2	231474982.0	225048206.7	230081784.7	228977203.6	224934722.2	127072787.8	247616920.7	246415750.0	242657096.4	243142829.4	246873599.5	255684236.6
D-ribose	744844.5	778851.9	749060.4	912903.7	941168.5	879183.5	729045.0	712053.5	671006.1	1473693.7	1413529.1	1407869.3	884950.5	882756.3	883487.4	861958.2	865762.4	744031.0	1772323.2	1749602.2	1807427.1	580580.3	666004.3	656195.4	178104.4	119965.2	144770.4	111158.1	130079.6	113870.3	194172.9	182131.2	176450.2	460798.8	152122.3	525329.7	296983.0	111066.4	130073.4	137228.6	390636.0	102425.7	325525.9	147810.1	159911.1	88564.0	214056.5	116891.4	198701.5	301152.2	167518.5	137840.3	290586.8	221435.9	286073.5	256265.2	267102.9	57264.2	196444.1	78866.3
fructose	1042992.3	667755.0	669465.5	2123412.1	2115204.1	2133615.9	870770.4	852510.9	771464.1	633249.7	178677.0	599187.4	365654.1	450320.6	688392.1	713635.3	487591.8	515969.8	1349167.0	1383921.8	1400218.6	442438.1	420969.7	537666.7	351535.9	879245.9	1448547.6	637363.6	773591.5	805283.8	31404.8	171346.5	37398.7	2007484.3	1677616.3	1735209.7	388350.3	374384.1	388726.2	315343.2	84529.4	305396.2	302651.2	537009.5	429231.0	364308.9	281059.9	355685.6	280895.5	250264.4	268963.2	110826.0	230172.9	223348.7	206783.5	261432.8	259494.2	582048.2	372189.8	514589.2
fumaric acid	264832.1	243932.1	213520.7	220364.1	216884.2	267925.7	131710.5	148450.6	175760.1	370152.3	370713.9	361756.3	261361.0	266000.9	249692.5	188042.9	266821.0	249106.7	279417.0	352516.4	324701.5	295705.8	318947.2	316183.6	459288.1	536730.3	577250.0	300286.3	306238.7	331060.2	148586.5	217104.5	166194.7	297362.8	273697.8	222913.5	195275.0	249239.9	252198.3	211678.8	226344.2	169292.5	293063.9	317457.4	327495.6	216486.7	166834.8	323846.1	148268.2	158496.9	162238.6	158201.8	151735.3	134690.2	214004.4	204104.2	166846.9	132482.9	135056.1	138956.5
galactonic acid	2315.3	137573.0	59796.4	591589.4	266456.0	707479.6	171727.0	61307.2	235250.9	3784.2	66990.9	58061.6	9031.8	58339.9	76912.8	45051.4	64949.4	42708.5	212526.0	204576.0	232326.8	140180.0	144091.0	145841.0	51932.2	50238.2	80642.3	277090.0	295175.8	432647.7	1404191.2	1426107.7	1492849.1	1536049.8	1424949.1	1497185.0	1519262.2	1477183.5	1477243.0	1301712.9	1354435.0	1338933.2	1763828.5	1821839.9	1805545.4	1305992.2	1295648.3	1293287.1	1884752.4	1935178.4	1880807.5	1826454.0	1728518.8	1742839.6	2822289.1	2665344.2	2665527.7	1976121.9	1943191.5	2053119.4
galacturonic acid	232029.0	252848.7	259675.8	616507.1	720878.8	511626.4	253550.9	240929.1	246859.0	214353.7	196992.3	183029.5	391974.0	289603.8	311472.3	146107.5	150235.4	145698.3	418917.1	374675.4	348861.0	279209.7	225440.3	205696.1	393962.8	335548.2	416606.0	151499.9	150616.7	139551.3	16581.8	6966.0	16852.9	89198.6	115875.6	139376.2	62613.8	49221.3	14360.1	25058.7	0.0	10589.9	0.0	36518.2	0.0	22995.9	27330.3	28217.5	16775.0	42876.2	77279.3	7345.8	67559.4	65323.1	33935.1	16883.5	35593.2	25805.3	28184.4	39316.8
glyceric acid	264196.7	281106.4	275437.3	206365.0	219630.5	222029.5	211396.0	217434.8	212115.5	319885.7	313670.3	309694.0	137781.2	140776.0	135557.7	318328.6	313746.3	299456.3	397334.0	398582.4	408549.0	208417.9	210456.6	215979.3	181372.3	182424.2	202723.0	105261.5	99376.0	89576.1	1844213.9	1836618.5	1872297.1	3536588.3	3550680.6	3848690.8	2934949.1	2899508.6	2936379.2	1997744.2	2013405.2	2266395.3	2833889.6	2770577.9	2815316.1	2258724.1	2392693.0	2239816.9	2779712.8	2522812.5	2598964.9	2405410.6	2328424.4	2574448.3	3304755.9	3216304.6	3092260.6	2467803.1	2391235.9	2459884.9
glycerol	5981943.3	6062367.0	6154392.7	6892334.7	7044395.2	6862973.4	5340789.3	5249236.4	5157184.9	8359978.1	8418562.1	8245707.4	6042894.7	6105743.8	5978431.7	5000301.9	5140015.0	5096794.2	4572598.8	4621508.0	4695175.5	7701637.5	8011886.5	8111766.7	11020985.5	11148230.8	12986143.5	7314914.3	7340891.7	7727891.9	6830140.7	6928184.5	7046379.3	4452837.3	4448843.1	4292508.9	5096819.9	4896165.2	4898749.8	5564148.4	5631993.4	4636211.4	4205750.4	5001011.0	5161599.9	5479165.1	6078779.7	5872847.9	5647494.4	6795873.3	6162315.5	5622801.3	5567393.9	6327123.6	5092425.5	5197939.2	4872287.4	5424620.7	5529246.8	5823196.1
glycerol 3-phosphate	235805.1	226977.8	249392.8	403571.1	471614.0	457861.9	488141.9	467738.2	454091.3	345521.0	337812.3	355772.7	0.0	0.0	0.0	0.0	374325.6	0.0	339317.3	338622.6	359698.7	329923.1	417281.0	412764.6	351763.1	0.0	424121.4	554421.2	514314.5	515497.8	3058719.9	3225812.1	3361233.2	2065414.9	2032141.3	2153724.6	3370681.8	3473789.1	3433567.4	4380642.4	4337142.5	4664644.7	3722721.9	3800154.4	4037558.5	3919934.8	4113756.6	4035717.8	8764949.3	7880235.7	7850369.7	6393719.5	5702922.8	6204775.2	4185856.2	4002994.2	3935501.2	4675302.1	4687537.1	5007796.7
glycine	15398542.2	15038559.3	15268851.9	13159594.1	13251341.0	13305208.6	15614964.8	15579842.7	15378122.5	21955366.2	21833380.9	21653371.8	8175437.7	8070183.5	7973717.2	13879606.7	14125436.0	13919351.3	14251523.6	14299680.0	14380140.4	17909192.2	18060279.0	18140850.8	12609422.3	12787743.9	14458979.8	25682705.8	25585029.6	26120998.7	7496387.9	7731290.4	7281172.9	4087307.2	4152594.4	7116773.1	5107713.7	6017971.4	6579041.3	7744305.4	7928030.2	11177678.9	10578631.5	5363435.1	7113599.3	7198129.8	10455533.6	7911587.0	9481902.2	5066996.1	9493776.6	9310809.6	9034804.9	13532406.5	9192919.4	10743476.3	8908876.0	10648027.5	11959622.4	9316648.9
glycolic acid	547492.5	553772.4	577752.3	457961.1	465478.8	518541.4	491034.8	472797.2	524529.0	581552.2	612689.6	602112.6	525591.9	514795.1	548125.7	570551.7	575501.1	583061.5	707800.6	733780.6	706761.9	493011.0	486663.6	537656.0	508736.8	480038.2	561090.4	498879.5	496100.1	507846.6	6033999.1	6213802.6	6310964.1	8215336.4	8518222.7	8772033.1	7955391.5	8248626.7	8121055.9	5831390.8	6049244.9	5804293.3	6865421.7	7398995.8	7448352.3	6527779.1	6410279.5	6815927.2	6223102.9	6599449.0	6460362.3	6676540.2	6507898.5	6043010.2	7545017.8	7144212.7	7240423.4	5380620.6	5536749.9	5570199.1
heptadecanoic acid	184938.3	208578.7	202023.8	299508.9	310567.0	326049.8	175809.0	190974.6	173954.5	162154.2	171913.4	163252.5	232095.3	236521.7	237803.7	168018.1	155011.3	159772.5	154462.1	160661.5	152753.9	204391.9	208211.5	222801.8	272020.6	262990.9	316592.4	113755.3	135937.7	125165.4	2044243.3	2149454.5	2192212.8	2274639.2	2201149.2	2314433.9	1957008.9	2054328.0	2004251.9	1542035.8	1560974.3	1551769.6	2211063.4	2337206.1	2392092.9	2387526.5	2279552.6	2346515.9	2253285.0	2400725.4	2484598.8	2809943.8	2697387.4	2800869.7	2635066.1	2642092.8	2620912.3	2865625.4	2815610.8	3093139.5
hexanoic acid	103192.0	117345.5	123296.1	176187.1	102701.8	135081.1	166792.4	60614.0	100125.2	154708.9	147854.8	147893.5	118798.3	112322.0	134800.6	146672.7	140245.4	58891.0	126760.7	133488.6	128224.5	141252.2	137670.9	77932.8	125442.6	89155.2	102749.1	105542.0	100716.6	195612.9	969170.9	953324.0	959815.0	378352.2	349274.9	375591.8	679237.7	680699.7	675117.9	947113.5	956690.9	985447.6	919918.2	827290.2	868754.4	998686.4	986869.5	1011052.8	981958.9	989567.5	1044325.7	1242872.5	1165957.5	1254008.8	1034322.6	1071474.9	1019467.9	1074308.0	1058576.3	1071962.5
hypoxanthine	198386.9	218232.9	225115.0	227151.7	233441.2	204422.0	202332.4	200291.8	206157.5	283479.3	314878.2	287341.7	222029.9	238045.3	229173.7	375192.2	353719.1	357309.1	408335.9	420527.7	437790.7	413016.6	399418.1	422257.7	495396.5	480500.9	512163.1	271645.5	265338.8	284534.3	81565.5	88150.5	91918.7	29964.4	18153.7	23929.2	35232.4	36013.4	34944.9	51780.7	52923.9	48675.8	44568.9	51548.4	38799.8	47122.0	43911.7	33490.0	53561.7	54219.5	68592.4	43364.9	50733.4	48779.0	45434.7	44016.8	31693.9	36313.7	25799.5	29347.4
iminodiacetic acid	124699.0	92159.3	110881.2	130622.2	137933.6	174956.0	101023.1	113285.1	78974.0	62158.9	68230.0	48922.3	146192.6	140935.2	140776.5	77733.7	100258.4	73774.8	180570.0	186465.5	213861.4	46994.2	45413.0	45294.0	61271.7	80159.8	125959.1	100794.0	108572.9	118302.1	17921769.4	17882533.8	18768811.6	10722445.2	10386965.7	10864559.6	10479105.3	10224725.6	10238491.5	12885935.5	12994685.6	12264804.1	14061760.2	14304242.5	14442251.5	10785052.3	10495858.2	10652660.9	14553094.6	15378118.2	16083100.8	15789362.6	15286517.3	13683499.5	19641926.1	18625631.7	18960242.5	14744916.8	14379446.8	15261183.7
inosine	697559.7	692519.2	696414.5	938413.8	948493.3	977184.7	299579.1	310740.8	259383.6	1040193.2	1092100.7	1003973.4	209934.4	214905.3	208364.4	779529.3	844590.7	774387.0	296950.3	286188.4	322036.2	382672.4	397185.1	424667.4	102858.5	130800.4	99372.5	100865.2	39099.0	63758.8	183405.9	180240.7	194445.8	187292.3	183935.4	202608.4	182359.6	182943.7	180690.5	142108.4	172617.9	136936.7	213456.1	217901.0	232861.1	158592.0	146055.8	153209.6	232671.5	254371.2	244692.9	214431.6	196381.3	190022.3	285325.1	283145.6	281834.6	197913.2	198861.7	220205.3
inositol (not specified)	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	275046.0	291504.8	287882.6	1807521.9	1828045.0	1917555.7	588593.1	609383.0	630245.9	0.0	0.0	0.0	145558.9	151306.4	178264.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	881401.0	882604.9	943748.6	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
L-(+) lactic acid	43715789.0	44679523.6	45832322.8	78216536.4	77700684.9	78655513.9	56431492.2	55813938.6	54474453.9	46529179.0	46807604.9	45995593.6	51940333.7	51200724.5	50373213.5	39012579.2	40363785.8	39577689.7	47768662.1	47844359.4	49658672.4	49068798.0	50268343.3	50014482.2	86887041.1	81357773.4	100612931.9	60078252.7	60644782.3	62380327.8	9681651.3	10667405.2	10968715.1	16394907.4	15438140.3	16508924.3	13493646.5	13969957.8	13906660.5	11178537.2	11307669.8	11150588.1	18304530.2	19496949.0	20110812.1	12652746.0	13014314.4	14236373.0	14547167.2	15714515.3	16020013.9	14219368.0	14196029.0	14041918.1	21916776.8	21874219.4	21758229.0	15916351.6	16378466.7	17174738.0
L-alanine	3196049.5	3238675.1	3460180.7	3754178.4	4746774.4	4176006.0	3627311.2	3839242.4	3933346.1	3501935.0	3485997.0	3509560.6	3102858.2	3051484.4	3030978.1	3457127.9	3366855.6	3328658.6	4004455.8	4038416.2	3810540.1	3340726.7	3280092.5	3292742.5	3543344.6	3844025.7	5982965.5	3896082.8	3905100.0	3735987.5	1848136.2	1841093.1	1817683.0	1994790.3	2370272.2	2291705.2	2509607.2	2280513.3	2433247.4	2201506.7	2451140.1	2467769.9	2608697.9	2250444.8	2255428.3	2377740.5	2739075.3	2351024.0	2423501.0	2328968.3	2295649.8	2411097.2	2424311.7	2581484.7	2380966.8	2512093.2	2504977.3	2603420.9	2498033.6	2383965.1
lauric acid	441305.5	455317.2	468010.0	543760.2	564385.5	569922.8	295664.5	310156.2	324059.9	560656.5	617678.5	622158.6	461697.8	451923.2	426066.0	548784.4	456408.4	426671.9	316345.3	277242.4	299753.0	678100.2	716037.2	674304.7	638225.5	616569.2	674309.0	358401.7	323548.3	296665.1	712328.6	710192.3	729851.7	876951.7	850992.2	816196.7	691089.8	686567.3	746308.4	773781.2	760930.3	694692.3	817342.1	952444.2	991183.3	805029.8	821156.6	824407.7	794505.0	919029.0	937858.9	879312.4	937499.5	744541.3	816094.0	822114.5	887244.9	799206.7	795473.3	881046.2
L-cysteine	744396.7	669626.9	674213.4	1077014.4	1079217.9	1064064.8	831394.1	771713.2	738707.8	793829.5	803783.4	783702.3	690862.7	661519.5	653502.0	472575.4	480572.8	410223.7	660472.8	606411.2	661042.4	923791.4	842970.8	807835.5	918956.2	770249.2	996657.7	1064442.7	1023570.9	1053986.8	519048.5	513224.9	538725.2	591214.0	595657.0	598138.8	657001.0	619477.9	634904.3	544026.5	545015.0	518522.8	4839616.5	4937341.1	5047256.6	566752.6	562893.6	571532.2	4787022.1	4915996.0	4709861.6	3945824.4	3997801.9	2705248.5	6218511.7	6032220.6	5885537.3	4208146.5	277577.7	4441185.2
L-cystine	1444421.1	1484940.2	1558137.8	1365910.8	1380584.9	1406652.5	1128309.7	1113612.4	1125935.0	1199761.7	1212491.8	1137429.7	1266602.6	1255320.1	1172580.8	719640.8	702819.2	733119.6	1090089.1	1096764.9	1150236.5	1615157.0	1640302.3	1616619.8	1560096.7	1538821.6	1696952.4	2829244.9	2894767.1	2866556.5	91426.2	94287.3	107158.2	131595.8	171574.8	181368.2	161775.6	156680.3	176531.9	119141.5	127226.4	123616.9	179889.9	186405.9	204357.0	143313.0	148773.0	150006.1	242421.2	244239.9	261535.4	115070.0	187285.5	167461.1	93629.0	162220.9	160680.6	107676.9	120008.1	100665.8
L-glutamic acid	3520794.6	3551278.1	3786235.3	7313541.7	7421844.5	7418408.0	5638208.4	5507883.8	5363601.4	2183666.0	2217147.2	2164778.3	6181137.3	5972215.4	5882655.5	3499452.6	3746852.8	3583716.8	4407570.2	4347994.9	4626599.3	2011112.7	1971732.8	1980105.4	7009923.9	6682868.2	6786067.1	3066318.4	3147231.7	3420829.2	1800513.0	1679128.2	1889761.9	2309325.3	2246345.5	2554126.8	2225559.1	2234863.6	2096908.6	2110180.9	2350074.2	2231433.0	2336274.1	2361494.9	2293745.0	2372157.9	2122285.1	2326515.2	2146589.9	2249719.5	2397246.8	2825424.0	2494390.5	2871894.0	2951987.5	2222057.8	2467396.0	2293434.3	2102223.4	2218515.2
L-glutamine	13971013.2	14496945.4	14694624.6	14291556.1	14580943.8	14610139.2	13847876.9	13640563.9	13010083.3	15983228.0	15836867.8	15504626.4	7355792.8	7083114.4	6835359.1	11249144.9	11251888.8	11166341.1	10865665.6	11033000.3	11853967.3	14316777.9	14979081.3	14991575.0	10510696.3	9805258.4	11365359.5	13030674.6	12920457.8	13596390.5	852715.3	854305.1	857117.7	779167.7	769967.8	806124.9	721160.9	724546.0	737686.1	709577.3	698528.9	655582.3	910640.7	969911.1	1019889.7	709472.8	690612.8	741340.1	970227.7	1094812.8	1128038.8	846283.9	866501.9	695614.4	1085325.5	1015292.5	1029901.0	792295.0	790820.8	827115.5
linoleic acid	6888514.6	7540452.9	7858355.3	4193186.0	4186252.4	4238590.3	4753700.8	4624887.8	4621598.5	5829637.4	5651011.0	5685600.0	5671754.6	5635036.0	5585665.0	4019479.5	4249469.7	4168838.8	3671153.4	3684276.4	3946442.3	6904467.1	7169784.6	7426211.6	10327295.4	10111486.5	14399318.4	2828006.7	2938644.2	3011580.3	3351504.2	3782192.2	3348255.2	3266871.5	3005419.7	3806036.0	2515157.7	1544144.2	2501478.9	2027142.7	1760914.6	1934560.1	4134266.3	4913630.1	4977216.6	1433932.4	2095142.1	1658847.0	1613664.3	2160284.2	2743193.2	1553149.4	3144577.1	2509254.4	5168155.4	1905732.6	5157005.2	1437537.9	1755017.6	1384097.0
L-leucine	11020087.7	11071984.9	11357064.7	23693292.2	20770719.9	23087094.3	11118910.9	13197996.5	13217177.5	12918317.1	12961345.6	12775597.4	10573642.9	6946428.9	10575108.7	10248207.9	10279879.2	10226102.7	12479040.2	12510246.1	12795589.3	9314085.4	8084089.6	9300219.6	14099705.1	9623137.7	16513947.6	9361925.0	9256938.6	5303294.7	45733.6	63246.0	95866.9	31288.2	170564.8	2351896.9	175044.9	122616.8	165672.8	106726.5	14996.9	1371670.6	1462906.3	98577.4	82928.0	25419.9	1239387.8	16503.7	1660408.2	153540.8	1655928.3	115099.6	110274.0	1237238.3	155879.6	254240.1	142391.6	125519.8	180663.5	146483.3
L-methionine	2276604.0	2017419.5	1981981.6	4428815.6	4287607.0	4424446.5	2013177.6	2442951.0	2315946.8	3221705.1	2572058.6	2524375.5	1247219.1	1218132.8	1253689.3	1970181.6	2046020.5	2005251.5	1942981.2	1930506.0	1983005.9	1683163.7	1694011.0	2086775.6	2833655.8	2673762.9	3150778.3	2348988.6	2183164.3	2453434.5	51045057.7	51639517.2	51732503.1	35108371.8	35068273.5	39044122.5	41333896.0	41572334.5	41452740.3	37165967.8	22865674.5	57938247.7	54928734.8	54033104.4	53015852.4	48554276.7	40952691.2	48334780.0	70929127.7	64577686.4	67237337.9	55803727.5	54160116.7	55785575.7	59967420.8	58442343.0	57876654.6	53618008.8	53386105.4	53647010.3
L-ornithine	6469711.2	6794316.0	6883023.2	9143374.4	9027542.1	8980221.0	8050506.7	8019416.2	7774784.0	7874374.1	7882697.3	7996876.8	4440124.8	4448736.9	4421386.2	8260919.8	8381476.8	8115973.2	7566150.0	7620705.6	7821021.9	7574847.7	7778470.8	7873491.0	6468650.7	6414428.5	7257745.9	7723773.3	7655074.5	7650706.2	661662.0	777481.6	1493612.9	615673.6	311186.0	0.0	917286.8	425014.2	441806.8	556479.3	1534436.9	539055.6	0.0	0.0	1335770.1	1156695.6	1543287.2	606440.7	0.0	0.0	0.0	1489785.9	1319392.7	1536388.8	1280480.5	1172848.4	1644994.2	1873941.5	2139215.9	868785.6
L-phenylalanine	3501442.0	3576676.3	3640008.9	5963805.5	6123052.2	6002002.1	4096790.0	4015899.3	3966271.9	4057000.8	4054076.2	3946758.8	3382194.3	3404259.6	3330591.7	3433612.8	3564984.9	3474037.1	4290944.5	4285761.6	4563242.1	3303374.9	3343976.3	3362297.9	4988280.6	4792638.4	5456501.0	3223952.0	3347777.3	3371737.8	524738.8	555612.7	536924.7	804581.3	842846.0	638174.3	620373.5	661157.1	668307.4	770045.9	836708.1	750946.0	769391.8	796592.1	781095.1	762612.3	822092.8	813083.5	704094.9	758688.5	798340.4	729742.8	719979.8	651483.2	1271558.7	1206598.8	1276853.8	738625.6	829307.2	851824.2
L-proline	16665549.7	16931057.1	17493920.3	24484132.4	18628495.0	23508244.3	13836409.9	15667023.3	15673381.9	17663355.4	17593034.5	17227457.6	13031300.8	7677261.2	12686923.0	12446815.3	12852014.3	12767601.0	14727297.6	14577134.8	15142173.2	12989767.2	11214029.0	13542940.6	13471828.7	7545619.5	13181181.3	20887166.9	20958967.9	12379673.9	14331.2	15777.2	20835.3	31218.7	29624.8	3951127.8	28277.4	29206.1	34716.8	41186.6	58525.0	3713767.9	2626329.0	44990.1	28187.3	41371.6	2208710.2	34129.8	2877485.3	41732.7	2464339.6	12905.4	16270.8	2251417.3	15889.5	12555.6	32476.8	13234.7	16904.1	13574.0
L-serine	3187758.1	3235580.7	3343638.7	3332041.8	3324750.9	3468875.2	2525336.1	2551560.4	2570077.3	2741673.7	2843302.8	2664243.9	1383956.1	1322531.3	1350103.4	2002476.5	2037943.4	2008785.8	2132255.7	2137057.4	2192997.7	2133231.6	2152274.2	2066256.9	2890039.8	2587817.5	3269914.1	2952436.1	3006240.3	2980527.3	209961.5	275960.9	279401.2	297612.3	213600.5	444374.5	232893.8	262480.7	283772.9	227617.2	266452.0	677720.0	472842.1	249438.0	166467.8	319069.2	615610.7	332358.2	704511.9	414627.3	849272.1	131653.3	147515.7	97326.9	707208.7	767275.6	622345.0	907424.6	848453.1	772370.4
L-threonic acid	623717.9	603271.0	615818.8	729257.0	703984.5	733785.7	544981.2	539362.5	527649.9	659255.1	646793.7	640948.1	592744.8	606913.0	583313.6	606191.0	631568.5	646872.0	775095.6	857034.7	894168.0	517842.9	527337.4	567520.2	659088.1	653091.8	738390.5	477427.9	492802.6	500007.0	11118432.7	10989882.7	11474028.3	19145681.2	19160111.9	20999441.2	16641692.3	16971647.2	16956778.5	11730639.7	11893947.0	12249513.5	16132368.7	16674153.7	17046842.1	12521395.1	12684596.3	12801007.4	16949562.5	16333269.3	16134718.2	13740453.8	13309248.3	10184278.4	20588156.1	20081937.6	19417820.5	14387711.2	14265527.2	15164833.1
L-threonine	7126491.5	6984580.1	7123668.3	9165352.6	9173589.9	9398107.1	7640413.1	7451183.4	7426953.0	8628478.6	8796072.6	8497013.0	4526148.5	4556913.5	4472548.3	6501891.9	6649665.0	6516334.3	6440458.5	6460065.3	6647684.1	7002694.0	7093419.3	6955346.1	7439703.2	6936551.5	8469713.8	6209593.7	6228028.7	6343595.4	605545.1	638507.3	729238.7	777170.4	703309.5	961556.9	850693.8	741762.4	797724.6	836176.1	905651.6	1318688.1	960198.9	622256.4	566332.5	767736.7	1308587.8	682832.7	1006731.0	560856.6	980501.5	654649.3	730754.5	1177137.1	834294.4	827923.2	872107.5	708328.9	711298.5	664737.7
L-tryptophan	7256853.1	7947556.6	7556733.2	14244711.6	14573780.0	14863355.5	16280112.6	16012701.3	11195311.7	13419632.8	12093076.2	12152332.3	6985213.7	6855781.5	6803184.6	13347438.6	13640220.0	13263619.1	13073766.4	13910668.4	13938433.1	8569677.2	8504672.5	8648389.8	10000151.3	9614258.7	10147105.1	12518355.8	12824892.4	10127180.1	42135.3	40895.4	44799.1	43392.4	42583.6	44442.3	42869.7	36759.1	38038.7	41313.6	37449.1	42118.1	48429.5	46910.4	54716.7	42124.3	39729.3	52835.2	47649.5	52574.7	51505.0	52227.5	50966.7	51681.3	38132.6	51240.2	52152.5	48527.6	50753.0	50491.2
L-tyrosine	1616861.8	1598316.0	1605183.7	0.0	845335.1	0.0	1113378.4	1097691.8	1049929.2	1652720.2	1644997.5	1744042.0	1131196.5	1098910.6	1114802.4	1657148.9	1716352.0	1678565.7	1842407.3	1854601.0	976631.3	1516116.3	1577630.5	1598606.8	2595366.9	2563278.3	3690617.4	1697043.5	1694319.7	1607747.9	350314.3	366466.6	380651.5	468162.7	474709.6	501217.1	366793.2	351896.7	364884.4	415000.2	395183.2	386672.5	358483.8	341684.6	349430.1	536418.1	536846.4	563930.1	363863.7	300269.4	301244.6	347143.6	317356.8	352977.4	614821.6	578539.0	552873.2	434448.0	435885.3	438644.1
L-valine	4177848.6	4148568.9	4257406.0	8491034.5	8291420.4	8331912.9	4814641.2	4978507.1	4787204.6	4270669.5	4334996.2	4038697.5	3625225.1	3332307.1	3450674.6	3061796.4	3255121.7	3196729.0	4499232.2	4534554.4	4929325.8	3160213.2	3182171.6	3352344.9	4846913.7	4473615.0	5908522.8	2997554.0	2918210.4	2809160.1	344618.0	217659.7	151213.6	465779.3	801732.6	1633834.9	907923.0	595075.8	880409.8	304354.1	294460.7	1221441.4	1166263.1	184810.1	248039.5	259842.1	1115740.1	185404.0	1367048.1	431675.5	1328373.5	265405.4	280977.8	994777.3	415706.7	746405.9	377117.5	337050.9	421727.3	331698.4
mesoxalic acid	104092.8	105705.3	108955.5	141380.6	137250.8	144002.6	116760.2	116698.3	115498.9	130921.5	133756.9	129268.1	67274.4	68500.3	67669.0	99013.4	99332.6	99693.0	97062.2	99256.6	106662.0	106144.2	110240.5	106898.2	114540.8	104022.6	129868.5	92185.7	98316.0	95580.3	1231649.3	1151197.9	1239744.1	1189805.2	1326303.6	1267674.6	1280216.3	1255745.0	1266575.2	1155218.9	1227616.2	1047538.7	1264217.4	1542117.3	1604898.4	1341907.5	1232526.4	1402540.3	1537952.9	2001536.7	1884635.8	1863182.4	1855962.3	1560335.2	1945477.6	1885561.2	1874510.1	1696710.5	1619306.2	1746821.3
methyl phosphate	464319.1	591726.0	399397.9	350922.9	414560.9	303899.6	470420.2	449640.9	433175.4	506641.7	518664.8	451019.7	468573.0	612322.4	494213.7	570700.1	590568.9	615172.3	446579.9	449629.7	471318.6	426621.4	620976.3	626574.2	439260.1	552627.2	536785.2	521107.5	428089.1	453202.0	39399.1	17577.1	49348.2	53026.2	60893.5	33096.0	52556.5	12234.8	66909.6	53499.4	55334.6	21167.7	35976.5	44921.6	65581.2	64754.3	29811.8	78598.0	26123.9	59576.1	37515.3	68358.1	44201.3	30144.5	45167.3	59798.4	46348.0	46751.1	52398.7	62173.4
myristic acid	6776447.2	6758788.2	6757147.5	5681414.7	5670124.9	5640327.4	4845600.1	4788569.4	4655561.3	5699670.2	5692561.9	5604755.6	6731064.1	6656343.0	6520666.1	5555161.6	5771309.5	5624253.0	5914068.6	5939220.3	6155722.3	7166492.4	7336023.4	7360342.1	6756154.9	6517206.3	7393462.2	4168702.3	4233761.0	4372309.1	842605.1	889080.0	938567.4	947307.6	951060.1	992310.8	809327.0	860532.6	846920.5	844600.3	893166.0	904410.5	1122665.7	1174889.6	1176926.3	1034875.1	1005505.1	1077057.1	1166775.4	1046987.1	1026107.7	1473136.9	1296937.3	1323886.7	1295773.3	1363329.3	1241777.3	1161060.6	1055646.1	1164355.5
Naproxen	10738314.8	10817227.1	10909700.8	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1979300.1	1984798.9	2050641.1	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
oleic acid	1527401.7	1484653.8	1491606.5	1805523.2	1857023.2	1835905.2	1009219.1	900973.9	756686.8	1773780.6	1729925.0	1768542.4	1427852.7	1483305.5	1464180.1	890284.8	862318.2	971578.1	578460.8	634151.4	685768.1	1782683.6	1823405.8	1834602.9	2622586.0	2211043.0	2678199.4	902693.7	1044766.4	734982.9	194537.7	203542.9	233461.2	212990.7	158037.9	241270.8	138028.0	218285.4	376329.2	230182.3	233070.8	182550.4	215108.7	298145.6	282416.7	141496.7	132356.9	113243.5	130032.8	183401.5	192331.4	216330.0	186847.7	223066.7	298328.6	296190.2	292747.6	104089.9	118535.7	153827.7
oxypurinol	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6681784.1	6816494.9	6899805.1	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2724065.0	2539767.8	2887233.9	0.0	0.0	0.0	0.0	0.0	0.0
palmitic acid	18880808.9	19301038.9	19336481.0	24311076.6	24467530.3	24556850.1	15218919.2	14923995.9	14482234.9	15639550.6	15739024.9	15396576.9	23165908.4	23140435.5	22703333.7	12245296.8	12434014.5	12133309.5	11393456.6	11496893.5	11935451.9	19505906.0	19978487.8	20126849.3	30626652.6	30002160.1	33742841.3	8928026.1	8852476.9	9054360.9	9463837.3	9677608.0	9898961.3	10666435.9	10514481.0	10992348.3	9050500.1	9261044.8	9107627.7	9648749.8	9829930.1	9707440.4	13382972.8	13901903.8	14277870.3	9941048.5	9910358.2	9999659.9	11862289.4	12164086.5	12392397.3	13199380.8	13198368.1	12955369.2	14985150.4	14552195.6	14390373.9	11321049.3	11348621.1	11976515.2
palmitoleic acid	2215462.2	2253735.9	2305491.7	1505946.1	1320684.6	1725793.2	1149452.1	1113070.1	1075281.1	2008964.0	1999690.8	1994199.1	1867239.5	1881459.2	1884347.7	902070.1	946096.5	964911.9	551688.0	555961.9	526717.6	1817677.2	1801229.8	1756478.2	3827377.7	3694256.2	4047525.5	429331.5	480958.2	489045.0	1600869.0	873528.2	1652619.0	2490977.0	2236169.7	2614638.0	2050908.0	2061377.0	2075334.0	1863528.0	1907130.0	1883759.0	2593246.0	2681518.0	2766520.0	1331922.0	1832502.0	700435.0	2407833.0	2455689.0	2544538.0	1909727.0	1831272.0	1656416.9	2232576.0	1861374.2	1903470.5	1335194.0	1186791.0	1233056.0
phosphoenolpyruvic acid	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2038.8	1126.3	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1040424.0	971753.4	1255763.1	1085495.1	944385.9	1325612.3	1451318.4	1271657.5	1508948.2	1685552.6	1755761.7	1574463.7	1613082.4	1637406.6	2007778.6	1767791.7	1820089.1	2018881.7	2056583.3	1784338.0	1802729.9	2235191.8	1579700.3	1346724.3	2730695.6	2271460.8	2569203.3	2497837.6	2192551.0	2423628.9
phosphoric acid	13923078.0	14365500.9	13614942.9	15922386.0	16431271.2	15993041.7	16026855.3	16189389.2	15408130.9	15347870.3	15423570.1	14918437.6	14917447.4	15777118.8	15090229.5	16826428.0	16911153.2	16915166.9	12632605.1	12980537.6	13552610.7	12678293.3	13493307.5	13442471.9	13027849.5	13669546.2	15543529.4	13988123.8	13331970.8	13458723.5	14633384.2	14903782.9	15517399.7	14244086.9	14783999.0	14194809.6	17902132.6	18272999.8	18576542.9	17573737.1	17429472.6	16135832.0	17802888.6	18798773.8	19513962.0	18896505.7	20394866.2	19414825.7	19506185.2	22883523.4	21547705.2	18892545.1	17398652.3	16881668.9	24072427.3	23309758.3	22815107.2	18646586.9	18724396.4	19199796.1
pipecolic acid	516126.3	571486.7	531150.5	301651.1	313299.5	231228.2	137872.4	181395.2	191631.9	165642.6	142725.6	151542.7	197388.0	127342.0	170107.4	165139.7	181117.6	173226.2	129130.5	118509.5	141282.3	162547.5	88247.5	167796.3	300775.2	260186.9	283287.6	219703.3	249248.3	210254.8	52265.5	42954.9	48212.0	64936.7	107334.8	187241.6	122296.3	74148.4	86944.6	75188.0	97424.7	80460.0	87836.4	79200.4	54620.6	23753.4	54850.7	57341.6	91706.4	25815.5	79837.9	13559.8	10403.2	48482.3	15743.3	0.0	34189.4	2307.5	2623.2	0.0
pyrophosphate	0.0	636439.1	1891183.1	835974.2	3249571.9	3954804.3	4559899.1	5845565.6	5275469.3	4208596.4	3802899.3	3630252.4	4655808.5	4328750.0	4320837.3	5459592.2	5055579.6	5182411.0	4539224.4	3641581.8	3997649.5	3180673.3	3140528.2	3429959.6	2185610.4	2365637.4	293638.4	1440903.1	1469921.6	2293068.6	110445.5	611.5	0.0	0.0	0.0	0.0	0.0	0.0	0.0	583735.8	624857.1	517863.6	347121.8	288419.8	201908.4	0.0	548357.7	0.0	0.0	0.0	209944.0	0.0	0.0	468556.3	0.0	0.0	0.0	0.0	0.0	0.0
pyruvic acid	1873226.9	1910506.0	2181510.0	4047295.2	3835430.6	4100195.3	3650309.1	3719380.5	3534940.9	1388874.0	1358186.3	1137504.5	3039912.8	2918938.4	2816942.1	1247973.1	1479177.3	1443662.1	2119453.7	2056456.3	2305173.8	2173127.7	2227111.6	2402283.6	3073016.4	2509053.9	3583458.0	2390355.4	2402035.2	2634838.8	1839016.1	2001252.6	2090377.5	1041823.0	1272994.4	1022124.2	1485062.7	1562290.7	1654857.2	1978696.6	1987064.4	1482124.8	1768019.2	2203071.2	2227559.6	1950513.9	1500826.6	1897915.5	1875151.5	2445637.7	1895377.0	2505349.2	2420385.2	1831284.5	2854644.8	3108061.6	2704405.4	2538695.4	2569236.5	2460809.0
quinic acid	65422.0	74101.9	67566.3	0.0	0.0	0.0	12448.6	9156.4	17941.1	45287.9	45432.6	35749.4	120916.1	89687.9	78011.3	53000.7	51854.6	46463.3	38887.4	43476.4	61351.8	4237.8	8792.1	12165.3	26419.6	23304.1	38589.5	99030.3	77095.5	74436.4	287969.3	306236.3	21368.0	102411.1	6920.6	7827.1	9341.2	10023.4	7805.2	385861.0	424061.3	447381.4	615650.7	677816.8	729379.3	481504.3	475707.2	518596.1	1019705.9	1129350.7	1194249.6	1018356.9	1047913.9	1080845.5	1197370.3	1183668.5	1196513.7	1116990.7	1138559.1	1270270.7
scyllo-inositol	188959.5	173237.1	172491.0	80369.7	132646.2	131508.3	144502.4	135440.1	137506.7	179383.5	163431.9	186972.2	86408.0	36141.4	79778.5	530139.2	540385.4	540656.7	532615.5	532378.2	559524.1	362390.0	388798.0	374140.6	58675.0	52637.8	74257.7	261146.7	241163.5	297642.7	32109.5	25561.1	36920.8	26203.0	31716.8	27049.8	35979.4	33292.2	35198.8	36505.3	39715.1	33349.7	40241.1	44150.1	36095.0	122976.3	80456.2	71536.1	79358.1	150464.4	106803.6	119191.2	110206.5	146626.8	26029.9	25243.8	24013.1	30291.5	41498.6	46981.4
stearic acid	12194648.8	12220931.9	11963336.2	20081750.4	20196543.2	20143342.1	11239700.5	10752702.2	13837070.8	11096810.1	13363409.8	12957024.0	15296141.1	15228247.1	15106593.1	10052936.3	10198189.8	9960079.2	10134549.9	10271000.4	10606752.4	14566132.8	14946915.7	14926891.9	16437595.1	16019812.3	19820972.1	8942102.5	8924515.4	11424910.0	6572521.0	6690932.0	6848179.7	7606051.7	7473470.9	7899888.6	6459715.7	6603980.9	6537179.6	6729562.1	6887685.9	6882545.4	8337264.2	8675874.5	8946390.2	7242017.8	7253317.6	7473174.0	8539274.7	8803718.7	8965759.6	9457656.2	9381141.4	9257672.8	9853293.6	9512407.3	9333457.5	9016725.5	9046295.9	9622329.0
urea	294997005.0	300087643.0	312808027.0	560219212.0	569570710.0	569959471.0	352478526.0	345767120.0	337121265.0	289478950.0	292556495.0	286886830.0	318752438.0	311455916.0	305234343.0	219177744.0	230385754.0	224393981.0	407207109.0	403864021.0	430739898.0	301456090.0	310190675.0	310242615.0	337216244.0	319140655.0	350814121.0	173448681.0	174238013.0	182240664.0	112258914.0	114474238.0	118052771.0	121049983.0	117860897.0	131977661.0	125284604.0	126825622.0	124669203.0	120388258.0	121729308.0	126122439.0	127161558.0	121771283.0	122390801.0	109849236.0	115573094.0	107884722.0	164301519.0	161276249.0	174175069.0	120271123.0	119693199.0	126937414.0	128626864.0	123952582.0	126248515.0	103067957.0	101384354.0	102132053.0
uric acid	11949551.1	11644476.2	11482602.4	11354459.7	11381247.2	11429595.7	12514805.9	12314407.7	12069651.9	18665347.5	18790687.8	18550047.1	18682354.6	18611700.1	18249408.8	10624474.4	10710195.2	10739826.4	21224149.4	21564897.7	22365607.3	14221247.1	14711574.3	14705669.5	13515587.9	13456723.4	15000330.0	13844331.9	13726574.5	14072352.9	132068054.6	134262560.2	134089577.3	111058101.0	108785426.8	111661157.9	113543708.3	114066187.7	114164065.6	112590880.6	113285998.0	113512715.2	134913825.6	139675553.8	141325399.1	132967419.7	132336024.9	134522315.8	124124845.1	126745788.6	128769790.8	125566262.5	122199269.5	124620128.4	132522938.7	130979777.2	130114491.7	115754205.2	115420634.3	120043603.5
xylitol	532959.8	472034.0	565778.7	469603.6	531267.6	654205.2	456584.2	456387.7	487893.2	419726.1	439793.1	471822.7	619164.8	600139.8	609408.3	444960.2	409744.3	400155.8	816197.7	865093.7	838200.0	612842.9	565618.2	546965.2	537601.4	487958.5	519818.6	430078.4	408127.2	383351.9	149044.1	168906.2	175190.8	80991.5	80904.8	105830.8	157462.1	173375.2	175200.7	153846.1	138624.3	158209.4	205102.2	276000.1	335785.7	180412.8	265614.9	142001.2	310243.5	266837.9	387259.8	236418.4	130136.2	119376.4	153762.6	119782.8	168777.6	83498.5	145366.2	127536.9
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	HMDB	PubChem CID
1-monopalmitin	HMDB31074	14900
2-hydroxybutyric acid	HMDB00008	11266
2-ketoisocaproic acid	HMDB00695	70
3,4-dihydroxybutyric acid	HMDB00337	150929
3-hydroxybutyric acid	HMDB00357	441
3-phosphoglycerate	HMDB00807	724
4-hydroxy-L-proline	HMDB06055	69248
5-hydroxy-L-tryptophan	HMDB00472	144
7β-hydroxycholesterol	HMDB06119	473141
acetylsalicylic acid (aspirin)	HMDB01879	2244
adenosine monophosphate	HMDB00045	6083
allantoin	HMDB00462	204
alloxanoic acid	N	94146
alpha ketoglutaric acid	HMDB62781	164533
alpha tocopherol	HMDB01893	14985
aminomalonic acid	HMDB01147	100714
arachidic acid	HMDB02212	10467
arachidonic acid	HMDB01043	444899
beta-tocopherol	HMDB06335	6857447
biphosphoglyceric acid	N	N
biuret	N	7913
capric acid	HMDB00511	2969
carbonate ion	HMDB00595	769
cholesterol	HMDB00067	11025495
citric acid	HMDB00094	311
creatinine	HMDB00562	588
D-glucose	HMDB00122	5793
DL-isoleucine	N	791
D-mannitol	HMDB00765	6251
D-mannose	HMDB00169	18950
docosanol	HMDB14770	12620
dodecanol	HMDB11626	8193
D-ribose	HMDB00283	5779
fructose	HMDB00660	439709
fumaric acid	HMDB00134	444972
galactonic acid	HMDB00565	128869
galacturonic acid	HMDB02545	84740
glyceric acid	HMDB00139	439194
glycerol	HMDB00131	753
glycerol 3-phosphate	HMDB00126	439162
glycine	HMDB00123	750
glycolic acid	HMDB00115	757
heptadecanoic acid	HMDB02259	10465
hexanoic acid	HMDB00535	8892
hypoxanthine	HMDB00157	790
iminodiacetic acid	HMDB11753	8897
inosine	HMDB00195	6021
inositol (not specified)	N	892
L-(+) lactic acid	HMDB00190	107689
L-alanine	HMDB00161	5950
lauric acid	HMDB00638	3893
L-cysteine	HMDB00574	5862
L-cystine	HMDB00192	67678
L-glutamic acid	HMDB00148	33032
L-glutamine	HMDB00641	5961
linoleic acid	HMDB00673	5280450
L-leucine	HMDB00687	6106
L-methionine	HMDB00696	6137
L-ornithine	HMDB00214	6262
L-phenylalanine	HMDB00159	6140
L-proline	HMDB00162	145742
L-serine	HMDB00187	5951
L-threonic acid	HMDB62620	5460407
L-threonine	HMDB00167	6288
L-tryptophan	HMDB00929	6305
L-tyrosine	HMDB00158	6057
L-valine	HMDB00883	6287
mesoxalic acid	HMDB31522	10132
methyl phosphate	N	13130
myristic acid	HMDB00806	11005
Naproxen	HMDB01923	156391
oleic acid	HMDB00207	445639
oxypurinol	HMDB00786	4644
palmitic acid	HMDB00220	985
palmitoleic acid	HMDB03229	445638
phosphoenolpyruvic acid	HMDB00263	1005
phosphoric acid	HMDB02142	1004
pipecolic acid	HMDB00070	849
pyrophosphate	HMDB00250	644102
pyruvic acid	HMDB00243	1060
quinic acid	HMDB03072
scyllo-inositol	HMDB06088	892
stearic acid	HMDB00827	5281
urea	HMDB00294	1176
uric acid	HMDB00289	1175
xylitol	HMDB02917	6912
METABOLITES_END
#END