#METABOLOMICS WORKBENCH roser09_20241022_085609 DATATRACK_ID:5303 STUDY_ID:ST003566 ANALYSIS_ID:AN006190 PROJECT_ID:PR002200
VERSION             	1
CREATED_ON             	March 5, 2025, 10:20 am
#PROJECT
PR:PROJECT_TITLE                 	Unraveling cysteine deficiency-associated rapid weight loss
PR:PROJECT_SUMMARY               	Forty percent of the US population and 1 in 6 individuals worldwide are obese,
PR:PROJECT_SUMMARY               	with the incidence surging globally. Various dietary interventions, including
PR:PROJECT_SUMMARY               	carbohydrate, fat and more recently amino acid restriction, have been explored
PR:PROJECT_SUMMARY               	to combat this epidemic. We investigated the impact of removing individual
PR:PROJECT_SUMMARY               	amino acids on the weight profiles of mice. Here, we show that conditional
PR:PROJECT_SUMMARY               	cysteine restriction resulted in the most dramatic weight loss when compared to
PR:PROJECT_SUMMARY               	essential amino acid restriction, amounting to 30% within one week, which was
PR:PROJECT_SUMMARY               	readily reversed. We found that cysteine deficiency activated the integrated
PR:PROJECT_SUMMARY               	stress response and oxidative stress response, which amplify each other, leading
PR:PROJECT_SUMMARY               	to the induction of GDF15 and FGF21, which partly explained the phenotype.
PR:PROJECT_SUMMARY               	Surprisingly, we observed lower tissue coenzyme A (CoA), which has been
PR:PROJECT_SUMMARY               	considered to be extremely stable10, resulting in reduced mitochondrial
PR:PROJECT_SUMMARY               	functionality and metabolic rewiring. This results in energetically inefficient
PR:PROJECT_SUMMARY               	anaerobic glycolysis and defective TCA cycle, with sustained urinary excretion
PR:PROJECT_SUMMARY               	of pyruvate, orotate, citrate, α-ketoglutarate, nitrogen rich compounds, and
PR:PROJECT_SUMMARY               	amino acids In summary, our investigation reveals that cysteine restriction, by
PR:PROJECT_SUMMARY               	depleting GSH and CoA, exerts a maximal impact on weight loss, metabolism, and
PR:PROJECT_SUMMARY               	stress signaling compared to other amino acid restrictions. These findings
PR:PROJECT_SUMMARY               	suggest novel strategies for addressing a range of metabolic diseases and the
PR:PROJECT_SUMMARY               	growing obesity crisis.
PR:INSTITUTE                     	NYU Grossman School of Medicine
PR:LAST_NAME                     	Varghese
PR:FIRST_NAME                    	Alan
PR:ADDRESS                       	550 First Avenue, NY, NY 10016
PR:EMAIL                         	Alan.Varghese@nyulangone.org
PR:PHONE                         	212-263-7520
#STUDY
ST:STUDY_TITLE                   	Unraveling cysteine deficiency-associated rapid weight loss
ST:STUDY_SUMMARY                 	Forty percent of the US population and 1 in 6 individuals worldwide are obese,
ST:STUDY_SUMMARY                 	with the incidence surging globally. Various dietary interventions, including
ST:STUDY_SUMMARY                 	carbohydrate, fat and more recently amino acid restriction, have been explored
ST:STUDY_SUMMARY                 	to combat this epidemic. We investigated the impact of removing individual
ST:STUDY_SUMMARY                 	amino acids on the weight profiles of mice. Here, we show that conditional
ST:STUDY_SUMMARY                 	cysteine restriction resulted in the most dramatic weight loss when compared to
ST:STUDY_SUMMARY                 	essential amino acid restriction, amounting to 30% within one week, which was
ST:STUDY_SUMMARY                 	readily reversed. We found that cysteine deficiency activated the integrated
ST:STUDY_SUMMARY                 	stress response and oxidative stress response, which amplify each other, leading
ST:STUDY_SUMMARY                 	to the induction of GDF15 and FGF21, which partly explained the phenotype.
ST:STUDY_SUMMARY                 	Surprisingly, we observed lower tissue coenzyme A (CoA), which has been
ST:STUDY_SUMMARY                 	considered to be extremely stable10, resulting in reduced mitochondrial
ST:STUDY_SUMMARY                 	functionality and metabolic rewiring. This results in energetically inefficient
ST:STUDY_SUMMARY                 	anaerobic glycolysis and defective TCA cycle, with sustained urinary excretion
ST:STUDY_SUMMARY                 	of pyruvate, orotate, citrate, α-ketoglutarate, nitrogen rich compounds, and
ST:STUDY_SUMMARY                 	amino acids In summary, our investigation reveals that cysteine restriction, by
ST:STUDY_SUMMARY                 	depleting GSH and CoA, exerts a maximal impact on weight loss, metabolism, and
ST:STUDY_SUMMARY                 	stress signaling compared to other amino acid restrictions. These findings
ST:STUDY_SUMMARY                 	suggest novel strategies for addressing a range of metabolic diseases and the
ST:STUDY_SUMMARY                 	growing obesity crisis.
ST:INSTITUTE                     	NYU Grossman School of Medicine
ST:LAST_NAME                     	Varghese
ST:FIRST_NAME                    	Alan
ST:ADDRESS                       	550 First Avenue, NY, NY 10016
ST:EMAIL                         	Alan.Varghese@nyulangone.org
ST:PHONE                         	212-263-7520
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	AMP WT1	Factor:Wild Type | Sample source:Stool	RAW_FILE_NAME(Raw file name)=S30609
SUBJECT_SAMPLE_FACTORS           	-	AMP WT2	Factor:Wild Type | Sample source:Stool	RAW_FILE_NAME(Raw file name)=S30610
SUBJECT_SAMPLE_FACTORS           	-	AMP WT3	Factor:Wild Type | Sample source:Stool	RAW_FILE_NAME(Raw file name)=S30611
SUBJECT_SAMPLE_FACTORS           	-	AMP KO1	Factor:Knockout | Sample source:Stool	RAW_FILE_NAME(Raw file name)=S30612
SUBJECT_SAMPLE_FACTORS           	-	AMP KO2	Factor:Knockout | Sample source:Stool	RAW_FILE_NAME(Raw file name)=S30613
SUBJECT_SAMPLE_FACTORS           	-	AMP KO3	Factor:Knockout | Sample source:Stool	RAW_FILE_NAME(Raw file name)=S30614
SUBJECT_SAMPLE_FACTORS           	-	F1	Factor:Food | Sample source:food	RAW_FILE_NAME(Raw file name)=S30615
SUBJECT_SAMPLE_FACTORS           	-	F2	Factor:Food | Sample source:food	RAW_FILE_NAME(Raw file name)=S30616
SUBJECT_SAMPLE_FACTORS           	-	F3	Factor:Food | Sample source:food	RAW_FILE_NAME(Raw file name)=S30617
SUBJECT_SAMPLE_FACTORS           	-	SQ1403_Blank_0	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1403_Blank_0
SUBJECT_SAMPLE_FACTORS           	-	SQ1403_Blank_1	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1403_Blank_1
SUBJECT_SAMPLE_FACTORS           	-	SQ1403_Blank_2	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1403_Blank_2
SUBJECT_SAMPLE_FACTORS           	-	SQ1403_Blank_3	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1403_Blank_3
SUBJECT_SAMPLE_FACTORS           	-	SQ1403_Blank_4	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1403_Blank_4
SUBJECT_SAMPLE_FACTORS           	-	SQ1403_Blank_5	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1403_Blank_5
SUBJECT_SAMPLE_FACTORS           	-	SQ1403_Blank_6	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1403_Blank_6
SUBJECT_SAMPLE_FACTORS           	-	SQ1403_Blank_7	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1403_Blank_7
SUBJECT_SAMPLE_FACTORS           	-	SQ1403_ISTD_0	Factor:ISTD | Sample source:standard	RAW_FILE_NAME(Raw file name)=SQ1403_ISTD_0
SUBJECT_SAMPLE_FACTORS           	-	SQ1403_ISTD_1	Factor:ISTD | Sample source:standard	RAW_FILE_NAME(Raw file name)=SQ1403_ISTD_1
SUBJECT_SAMPLE_FACTORS           	-	SQ1403_ISTD_2	Factor:ISTD | Sample source:standard	RAW_FILE_NAME(Raw file name)=SQ1403_ISTD_2
SUBJECT_SAMPLE_FACTORS           	-	SQ1403_ISTD_3	Factor:ISTD | Sample source:standard	RAW_FILE_NAME(Raw file name)=SQ1403_ISTD_3
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_U6	Factor:No Cys WT | Sample source:urine	RAW_FILE_NAME(Raw file name)=S31073
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_U7	Factor:No Cys WT | Sample source:urine	RAW_FILE_NAME(Raw file name)=S31074
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_U8	Factor:No Cys KO | Sample source:urine	RAW_FILE_NAME(Raw file name)=S31075
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_U9	Factor:No Cys KO | Sample source:urine	RAW_FILE_NAME(Raw file name)=S31076
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_U10	Factor:No Cys KO | Sample source:urine	RAW_FILE_NAME(Raw file name)=S31077
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_U16	Factor:No Cys WT | Sample source:urine	RAW_FILE_NAME(Raw file name)=S31083
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_U17	Factor:No Cys WT | Sample source:urine	RAW_FILE_NAME(Raw file name)=S31084
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_U18	Factor:No Cys WT | Sample source:urine	RAW_FILE_NAME(Raw file name)=S31085
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_U19	Factor:No Cys WT | Sample source:urine	RAW_FILE_NAME(Raw file name)=S31086
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_U20	Factor:No Cys KO | Sample source:urine	RAW_FILE_NAME(Raw file name)=S31087
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_U21	Factor:No Cys KO | Sample source:urine	RAW_FILE_NAME(Raw file name)=S31088
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_U22	Factor:No Cys KO | Sample source:urine	RAW_FILE_NAME(Raw file name)=S31089
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_U23	Factor:No Cys KO | Sample source:urine	RAW_FILE_NAME(Raw file name)=S31090
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_Blank_0	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1441_Blank_0
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_Blank_1	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1441_Blank_1
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_Blank_2	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1441_Blank_2
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_Blank_3	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1441_Blank_3
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_Blank_4	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1441_Blank_4
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_Blank_5	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1441_Blank_5
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_Blank_6	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1441_Blank_6
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_Blank_7	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1441_Blank_7
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_Blank_8	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1441_Blank_8
SUBJECT_SAMPLE_FACTORS           	-	SQ1441_Blank_9	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1441_Blank_9
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_L8	Factor:No Cys WT | Sample source:liver	RAW_FILE_NAME(Raw file name)=S30953
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_L9	Factor:No Cys WT | Sample source:liver	RAW_FILE_NAME(Raw file name)=S30954
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_L10	Factor:No Cys WT | Sample source:liver	RAW_FILE_NAME(Raw file name)=S30955
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_L11	Factor:No Cys WT | Sample source:liver	RAW_FILE_NAME(Raw file name)=S30956
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_L12	Factor:No Cys KO | Sample source:liver	RAW_FILE_NAME(Raw file name)=S30957
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_L13	Factor:No Cys KO | Sample source:liver	RAW_FILE_NAME(Raw file name)=S30958
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_L14	Factor:No Cys KO | Sample source:liver	RAW_FILE_NAME(Raw file name)=S30959
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_Blank_0	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1432_Blank_0
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_Blank_1	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1432_Blank_1
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_Blank_2	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1432_Blank_2
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_Blank_3	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1432_Blank_3
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_Blank_4	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1432_Blank_4
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_Blank_5	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1432_Blank_5
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_ISTD_0	Factor:ISTD | Sample source:standard	RAW_FILE_NAME(Raw file name)=SQ1432_ISTD_0
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_ISTD_1	Factor:ISTD | Sample source:standard	RAW_FILE_NAME(Raw file name)=SQ1432_ISTD_1
SUBJECT_SAMPLE_FACTORS           	-	SQ1432_ISTD_2	Factor:ISTD | Sample source:standard	RAW_FILE_NAME(Raw file name)=SQ1432_ISTD_2
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_L1	Factor:Het 45 min | Sample source:liver	RAW_FILE_NAME(Raw file name)=S34898
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_L2	Factor:Het 45 min | Sample source:liver	RAW_FILE_NAME(Raw file name)=S34899
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_L3	Factor:KO 45 min | Sample source:liver	RAW_FILE_NAME(Raw file name)=S34900
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_L4	Factor:KO 45 min | Sample source:liver	RAW_FILE_NAME(Raw file name)=S34901
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_L5	Factor:Het 45 min | Sample source:liver	RAW_FILE_NAME(Raw file name)=S34902
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_L6	Factor:Het 45 min | Sample source:liver	RAW_FILE_NAME(Raw file name)=S34903
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_L7	Factor:KO 45 min | Sample source:liver	RAW_FILE_NAME(Raw file name)=S34904
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_L8	Factor:KO 45 min | Sample source:liver	RAW_FILE_NAME(Raw file name)=S34905
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_Blank_0	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1615_Blank_0
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_Blank_1	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1615_Blank_1
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_Blank_2	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1615_Blank_2
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_Blank_3	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1615_Blank_3
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_Blank_4	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1615_Blank_4
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_Blank_5	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1615_Blank_5
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_Blank_6	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1615_Blank_6
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_Blank_7	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1615_Blank_7
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_ISTD_0	Factor:ISTD | Sample source:standard	RAW_FILE_NAME(Raw file name)=SQ1615_ISTD_0
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_ISTD_1	Factor:ISTD | Sample source:standard	RAW_FILE_NAME(Raw file name)=SQ1615_ISTD_1
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_ISTD_2	Factor:ISTD | Sample source:standard	RAW_FILE_NAME(Raw file name)=SQ1615_ISTD_2
SUBJECT_SAMPLE_FACTORS           	-	SQ1615_ISTD_3	Factor:ISTD | Sample source:standard	RAW_FILE_NAME(Raw file name)=SQ1615_ISTD_3
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_U1	Factor:Het 2 hr | Sample source:urine	RAW_FILE_NAME(Raw file name)=S34919
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_U2	Factor:Het 2 hr | Sample source:urine	RAW_FILE_NAME(Raw file name)=S34920
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_U3	Factor:KO 2 hr | Sample source:urine	RAW_FILE_NAME(Raw file name)=S34921
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_U4	Factor:KO 2 hr | Sample source:urine	RAW_FILE_NAME(Raw file name)=S34922
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_U5	Factor:Het 2 hr | Sample source:urine	RAW_FILE_NAME(Raw file name)=S34923
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_U6	Factor:Het 2 hr | Sample source:urine	RAW_FILE_NAME(Raw file name)=S34924
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_U7	Factor:KO 2 hr | Sample source:urine	RAW_FILE_NAME(Raw file name)=S34925
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_U8	Factor:Het 2 hr | Sample source:urine	RAW_FILE_NAME(Raw file name)=S34926
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_U9	Factor:Het 2 hr | Sample source:urine	RAW_FILE_NAME(Raw file name)=S34927
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_U10	Factor:KO 2 hr | Sample source:urine	RAW_FILE_NAME(Raw file name)=S34928
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_Blank_0	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1616_Blank_0
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_Blank_1	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1616_Blank_1
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_Blank_2	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1616_Blank_2
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_Blank_3	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1616_Blank_3
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_Blank_4	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1616_Blank_4
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_Blank_5	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1616_Blank_5
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_Blank_6	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1616_Blank_6
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_Blank_7	Factor:Blank | Sample source:blank	RAW_FILE_NAME(Raw file name)=SQ1616_Blank_7
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_ISTD_0	Factor:ISTD | Sample source:standard	RAW_FILE_NAME(Raw file name)=SQ1616_ISTD_0
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_ISTD_1	Factor:ISTD | Sample source:standard	RAW_FILE_NAME(Raw file name)=SQ1616_ISTD_1
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_ISTD_2	Factor:ISTD | Sample source:standard	RAW_FILE_NAME(Raw file name)=SQ1616_ISTD_2
SUBJECT_SAMPLE_FACTORS           	-	SQ1616_ISTD_3	Factor:ISTD | Sample source:standard	RAW_FILE_NAME(Raw file name)=SQ1616_ISTD_3
#COLLECTION
CO:COLLECTION_SUMMARY            	Food pellets were weighed into bead blaster tubes containing zircon beads.
CO:COLLECTION_SUMMARY            	Extraction buffer containing 80% methanol with 500nM Metabolomics amino acid
CO:COLLECTION_SUMMARY            	standard mix (Cambridge Isotopes Laboratory, MA) was added to each to reach a
CO:COLLECTION_SUMMARY            	final concentration of 10 mg/mL. Samples were homogenized using D2400 BeadBlaster
CO:COLLECTION_SUMMARY            	homogenizer (Benchmark Scientific, NJ) then spun at 21 kg for 3min. Then, 450uL
CO:COLLECTION_SUMMARY            	of metabolite extract was transferred to a new 1.5mL Eppendorf tube and dried
CO:COLLECTION_SUMMARY            	using Speedvac. Samples were reconstituted in 50uL of MS grade water and
CO:COLLECTION_SUMMARY            	sonicated for 2 mins. Then, samples were spun at 21,000 g for 3 mins. Samples
CO:COLLECTION_SUMMARY            	were transferred to glass LC vials for analysis by LCMS. Liver Samples
CO:COLLECTION_SUMMARY            	Approximately 300 mg of liver was homogenized in 1 mL of PBS and then subjected
CO:COLLECTION_SUMMARY            	to three freeze-thaw cycles. Liver samples were filtered using a 10kDa filter.
CO:COLLECTION_SUMMARY            	Protein concentrations prior to deproteinization were measured using BSA standard
CO:COLLECTION_SUMMARY            	curve and found to be between 12.8 – 42.0 mg/mL. For metabolomics extracts, on
CO:COLLECTION_SUMMARY            	average protein concentration was determined to be 28.58 mg/mL per 300 mg of
CO:COLLECTION_SUMMARY            	tissue. This value was used to scale all liver extracts to each other. Scaled
CO:COLLECTION_SUMMARY            	liver extracts were transferred to bead blaster tubes with zircon beads and
CO:COLLECTION_SUMMARY            	homogenized using D2400 BeadBlaster homogenizer (Benchmark Scientific, NJ) in
CO:COLLECTION_SUMMARY            	cold 80% methanol spiked with 500 nM Metabolomics amino acid standard mix
CO:COLLECTION_SUMMARY            	(Cambridge Isotopes Laboratory, MA). Samples were centrifuged at 21,000 g for 3
CO:COLLECTION_SUMMARY            	min to pellet any insoluble materials. Then, 450 µL of metabolite extract was
CO:COLLECTION_SUMMARY            	transferred to a new 1.5mL Eppendorf tube and dried down using Speedvac. Samples
CO:COLLECTION_SUMMARY            	were reconstituted in 50uL of MS grade water and sonicated for 2 mins. Then,
CO:COLLECTION_SUMMARY            	samples were spun at 21,000 g for 3 min. Samples were transferred to glass LC
CO:COLLECTION_SUMMARY            	vials for analysis by LCMS. Urine Samples Urine samples were collected and
CO:COLLECTION_SUMMARY            	stored as frozen aliquots between ~5-7 µL. For metabolite extraction, 5µL of
CO:COLLECTION_SUMMARY            	urine was transferred to a glass insert and extracted using 195 µL of cold 80%
CO:COLLECTION_SUMMARY            	methanol spiked with 500nM Metabolomics amino acid standard mix (Cambridge
CO:COLLECTION_SUMMARY            	Isotopes Laboratory, MA). Glass inserts were transferred into 1.5 mL Eppendorf
CO:COLLECTION_SUMMARY            	tubes and spun at 3 kg for 10 min to pellet insoluble material. Then, 180 µL of
CO:COLLECTION_SUMMARY            	extract was transferred to a 1.5 mL Eppendorf tube and dried down completely
CO:COLLECTION_SUMMARY            	using Speedvac. To each, 20 µL of MS grade water was added to reconstitute
CO:COLLECTION_SUMMARY            	metabolites. Samples were sonicated for 2 mins and then centrifuged for 3 min at
CO:COLLECTION_SUMMARY            	21 kg. Then 15 µL of samples was transferred to a glass LCMS vial for analysis.
CO:SAMPLE_TYPE                   	urine, liver, food
#TREATMENT
TR:TREATMENT_SUMMARY             	All custom diets were procured from TestDiet. All diets were based on the
TR:TREATMENT_SUMMARY             	defined amino acid diet 5CC7. For individual or dual amino acid depleted diets,
TR:TREATMENT_SUMMARY             	the specific amino acid(s) was completely removed, and all other amino acids
TR:TREATMENT_SUMMARY             	were increased in proportion. For pantothenic acid-deficient diet, it was
TR:TREATMENT_SUMMARY             	removed from the same 5CC7 defined diet. Unless specified control diet refers to
TR:TREATMENT_SUMMARY             	the 5CC7 diet. D-Galactose (Sigma G0750) and D-Glucose (Sigma G8270) were
TR:TREATMENT_SUMMARY             	purchased from Sigma and were dissolved in water and filter sterilized. A list
TR:TREATMENT_SUMMARY             	of diet names is available on request.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Food pellets were weighed into bead blaster tubes containing zircon beads.
SP:SAMPLEPREP_SUMMARY            	Extraction buffer containing 80% methanol with 500nM Metabolomics amino acid
SP:SAMPLEPREP_SUMMARY            	standard mix (Cambridge Isotopes Laboratory, MA) was added to each to reach a
SP:SAMPLEPREP_SUMMARY            	final concentration of 10 mg/mL. Samples were homogenized using D2400 BeadBlaster
SP:SAMPLEPREP_SUMMARY            	homogenizer (Benchmark Scientific, NJ) then spun at 21 kg for 3min. Then, 450 µL
SP:SAMPLEPREP_SUMMARY            	of metabolite extract was transferred to a new 1.5 mL Eppendorf tube and dried
SP:SAMPLEPREP_SUMMARY            	using Speedvac. Samples were reconstituted in 50 µL of MS grade water and
SP:SAMPLEPREP_SUMMARY            	sonicated for 2 mins. Then, samples were spun at 21,000 g for 3 mins. Samples
SP:SAMPLEPREP_SUMMARY            	were transferred to glass LC vials for analysis by LCMS. Liver Samples
SP:SAMPLEPREP_SUMMARY            	Approximately 300 mg of liver was homogenized in 1 mL of PBS and then subjected
SP:SAMPLEPREP_SUMMARY            	to three freeze-thaw cycles. Liver samples were filtered using a 10 kDa filter.
SP:SAMPLEPREP_SUMMARY            	Protein concentrations prior to deproteinization were measured using BSA standard
SP:SAMPLEPREP_SUMMARY            	curve and found to be between 12.8 – 42.0 mg/mL. For metabolomics extracts, on
SP:SAMPLEPREP_SUMMARY            	average protein concentration was determined to be 28.58 mg/mL per 300 mg of
SP:SAMPLEPREP_SUMMARY            	tissue. This value was used to scale all liver extracts to each other. Scaled
SP:SAMPLEPREP_SUMMARY            	liver extracts were transferred to bead blaster tubes with zircon beads and
SP:SAMPLEPREP_SUMMARY            	homogenized using D2400 BeadBlaster homogenizer (Benchmark Scientific, NJ) in
SP:SAMPLEPREP_SUMMARY            	cold 80% methanol spiked with 500 nM Metabolomics amino acid standard mix
SP:SAMPLEPREP_SUMMARY            	(Cambridge Isotopes Laboratory, MA). Samples were centrifuged at 21,000 g for 3
SP:SAMPLEPREP_SUMMARY            	min to pellet any insoluble materials. Then, 450 µL of metabolite extract was
SP:SAMPLEPREP_SUMMARY            	transferred to a new 1.5mL Eppendorf tube and dried down using Speedvac. Samples
SP:SAMPLEPREP_SUMMARY            	were reconstituted in 50uL of MS grade water and sonicated for 2 mins. Then,
SP:SAMPLEPREP_SUMMARY            	samples were spun at 21,000 g for 3 min. Samples were transferred to glass LC
SP:SAMPLEPREP_SUMMARY            	vials for analysis by LCMS. Urine Samples Urine samples were collected and
SP:SAMPLEPREP_SUMMARY            	stored as frozen aliquots between ~5-7 µL. For metabolite extraction, 5µL of
SP:SAMPLEPREP_SUMMARY            	urine was transferred to a glass insert and extracted using 195µL of cold 80%
SP:SAMPLEPREP_SUMMARY            	methanol spiked with 500nM Metabolomics amino acid standard mix (Cambridge
SP:SAMPLEPREP_SUMMARY            	Isotopes Laboratory, MA). Glass inserts were transferred into 1.5mL Eppendorf
SP:SAMPLEPREP_SUMMARY            	tubes and spun at 3 kg for 10 min to pellet insoluble material. Then, 180 µL of
SP:SAMPLEPREP_SUMMARY            	extract was transferred to a 1.5 mL Eppendorf tube and dried down completely
SP:SAMPLEPREP_SUMMARY            	using Speedvac. To each, 20 µL of MS grade water was added to reconstitute
SP:SAMPLEPREP_SUMMARY            	metabolites. Samples were sonicated for 2 mins and then centrifuged for 3 min at
SP:SAMPLEPREP_SUMMARY            	21 kg. Then 15 µL of samples was transferred to a glass LCMS vial for analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Ultimate 3000 RS
CH:COLUMN_NAME                   	SeQuant ZIC-HILIC (150 x 2.1mm,5um)
CH:SOLVENT_A                     	100% Water; 10 mM ammonium carbonate in water, pH 9.0
CH:SOLVENT_B                     	100% Acetonitrile
CH:FLOW_GRADIENT                 	80-20%B (0-30 min), 20-80%B (30-31 min), 80-80%B (31-42 min)
CH:FLOW_RATE                     	0.1 mL/min
CH:COLUMN_TEMPERATURE            	25
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	both positive and negative polarities were collected in the same acquisition
MS:MS_COMMENTS                   	during polarity switching mechanism
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	absolute intensity
MS_METABOLITE_DATA_START
Samples	AMP WT1	AMP WT2	AMP WT3	AMP KO1	AMP KO2	AMP KO3	F1	F2	F3	SQ1441_U6	SQ1441_U7	SQ1441_U8	SQ1441_U9	SQ1441_U10	SQ1441_U16	SQ1441_U17	SQ1441_U18	SQ1441_U19	SQ1441_U20	SQ1441_U21	SQ1441_U22	SQ1441_U23	SQ1432_L8	SQ1432_L9	SQ1432_L10	SQ1432_L11	SQ1432_L12	SQ1432_L13	SQ1432_L14	SQ1615_L1	SQ1615_L2	SQ1615_L3	SQ1615_L4	SQ1615_L5	SQ1615_L6	SQ1615_L7	SQ1615_L8	SQ1616_U1	SQ1616_U2	SQ1616_U3	SQ1616_U4	SQ1616_U5	SQ1616_U6	SQ1616_U7	SQ1616_U8	SQ1616_U9	SQ1616_U10
Factors	Factor:Wild Type | Sample source:Stool	Factor:Wild Type | Sample source:Stool	Factor:Wild Type | Sample source:Stool	Factor:Knockout | Sample source:Stool	Factor:Knockout | Sample source:Stool	Factor:Knockout | Sample source:Stool	Factor:Food | Sample source:food	Factor:Food | Sample source:food	Factor:Food | Sample source:food	Factor:No Cys WT | Sample source:urine	Factor:No Cys WT | Sample source:urine	Factor:No Cys KO | Sample source:urine	Factor:No Cys KO | Sample source:urine	Factor:No Cys KO | Sample source:urine	Factor:No Cys WT | Sample source:urine	Factor:No Cys WT | Sample source:urine	Factor:No Cys WT | Sample source:urine	Factor:No Cys WT | Sample source:urine	Factor:No Cys KO | Sample source:urine	Factor:No Cys KO | Sample source:urine	Factor:No Cys KO | Sample source:urine	Factor:No Cys KO | Sample source:urine	Factor:No Cys WT | Sample source:liver	Factor:No Cys WT | Sample source:liver	Factor:No Cys WT | Sample source:liver	Factor:No Cys WT | Sample source:liver	Factor:No Cys KO | Sample source:liver	Factor:No Cys KO | Sample source:liver	Factor:No Cys KO | Sample source:liver	Factor:Het 45 min | Sample source:liver	Factor:Het 45 min | Sample source:liver	Factor:KO 45 min | Sample source:liver	Factor:KO 45 min | Sample source:liver	Factor:Het 45 min | Sample source:liver	Factor:Het 45 min | Sample source:liver	Factor:KO 45 min | Sample source:liver	Factor:KO 45 min | Sample source:liver	Factor:Het 2 hr | Sample source:urine	Factor:Het 2 hr | Sample source:urine	Factor:KO 2 hr | Sample source:urine	Factor:KO 2 hr | Sample source:urine	Factor:Het 2 hr | Sample source:urine	Factor:Het 2 hr | Sample source:urine	Factor:KO 2 hr | Sample source:urine	Factor:Het 2 hr | Sample source:urine	Factor:Het 2 hr | Sample source:urine	Factor:KO 2 hr | Sample source:urine
1-Methylnicotinamide	9290648	8536322	9248169	14608763	12944421	33326788	-	-	-	248221168	189559008	395093344	221858992	341434912	173570432	677641216	139683648	212303600	354053632	670026048	327513984	352031008	1576216	3742440	2851648	1749308	-	2817848	2386108	1563046	-	-	-	-	1779715	-	-	22508444	21017038	-	-	-	-	-	-	-	-
2,3-Diphosphoglyceric acid	-	-	-	-	-	-	-	-	-	-	-	-	81200	-	50270	418147	18640	36725	-	39639	-	-	-	-	-	-	20976	13718	17910	-	-	-	-	-	-	-	-	-	31257	17168	29701	26328	-	-	25568	-	-
3-Hydroxybutyric acid	-	-	-	-	-	-	779918	607648	639387	2045781	2504074	5757150	2971974	15604128	1006566	2888664	113100	1608877	7028778	3488282	2761976	1079253	1640901	1140188	1144469	1024610	2036393	1059047	1439990	772288	935640	1300798	825786	1654823	1842282	1124224	610884	214862	589598	505499	89148	164193	40049	73486	112328	171700	100632
3-Phosphoglyceric acid	-	-	-	-	-	-	15439	-	-	2079602	1494562	978260	3501038	4768094	692015	5765586	1706723	360593	3999262	-	2540007	1297373	1200888	2065062	1972934	2610472	3790972	3947470	4434940	4084548	5118164	4082483	5134257	4499195	5363829	3590478	4915718	1576457	2079172	-	-	2222845	-	-	-	-	-
4,5-Dihydroorotic acid	-	-	-	-	-	-	-	-	21818	26491	-	121456	5097826	265771	34991	40777	-	-	86256	286897	118380	167646	-	13583	-	-	849217	503932	334402	-	-	41665	21394	-	-	12193	194647	-	19304	21444	41152	19838	25748	23161	20490	25784	247277
4-Hydroxyproline	166039	138185	134494	69302	-	83225	898418	1324874	2146272	4867524	2229126	1146844	4252694	7405100	3118713	4121380	1793169	2249498	8165317	8505210	789539	1352884	12303259	13381492	16505571	14792094	1615938	8353413	12254646	4606804	3450799	1091695	1370867	1732444	2270789	1054763	1067049	1744318	2697144	2143847	940134	5077822	1884404	802513	3121178	2390267	1399032
5'-Methylthioadenosine	-	-	-	-	-	-	9730226	1878576	8031584	1996616	1363540	2736594	3838523	2417555	3594307	10215737	4642496	10361648	6170812	6327788	8538171	3848565	351964	943753	599555	558476	2426502	1579960	1745482	916873	1069988	1785375	1870806	2328711	1046685	2218018	2590823	-	-	-	-	-	-	-	-	-	-
5-Phosphoribosylamine	-	-	-	-	-	-	18583	-	-	66486	-	-	70769	-	-	-	-	-	-	-	-	-	18368	23630	34328	15297	18469	18990	25561	-	-	-	13721	-	-	-	-	32813	12611	-	-	23763	18988	-	36739	14386	34942
6-Phosphogluconic acid	-	-	-	-	-	-	-	-	-	-	-	-	-	16392	-	-	-	-	13764	25196	-	-	30089	34667	49472	39079	37905	81367	72671	46757	61178	42014	56402	37813	50425	31719	64981	-	35057	19637	-	-	-	-	24920	-	35963
Acetoacetic acid	416599	404015	386037	462172	326697	333460	807771	543706	492350	747749	528284	1018637	1836885	1766624	1719227	1980400	186481	457065	1732894	2795941	727560	402822	505160	680835	577953	469822	267619	536109	497408	4088614	4553413	4173809	4786036	3713464	4299334	3693072	4165670	57776	164161	205136	81313	170180	91784	58041	259266	165215	251825
Acetyl-CoA	64808	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	12016	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
Acetylcysteine	46114	36526	35665	21430	32473	49155	-	113439	131909	357128	318520	515923	334749	256838	483186	587612	162382	333985	321020	698694	334595	443540	63305	94276	171735	93144	85361	63458	73389	-	-	-	12627	-	-	-	-	73778	119110	101816	108637	261829	81177	73458	227399	162534	318958
Adenine	2769212	2219998	2003440	3751874	2791246	4454193	178978992	159705168	215736736	4889329	4142668	8841626	6704588	7025294	4139513	7782056	1651316	8647799	4296188	4258581	3429435	2478960	8833458	7972515	9227195	8743893	11866579	9633940	10182458	4242425	6092923	5819526	3451578	3453262	4252630	4062574	6534578	3134292	3299220	4046336	3457820	2638920	2092849	1669950	3576866	2608386	2331048
Adenosine	-	-	-	-	-	-	-	-	4908394	12027428	35465684	38567308	42413004	53106968	53471244	64116956	24531920	46010800	43606376	36889188	42655440	29755276	3452184	2581535	1701734	2521497	2974443	2362443	3729813	2752847	2426212	3004690	2923675	2619208	2454119	6289502	2946163	27488864	27693664	30628620	25093802	25740760	13484440	12936507	29969686	24349624	26363404
Adenosine diphosphate ribose	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	44946	43095	52714	23121	51193	73036	774800	42132	111496	116484	77293	36156	113124	38682	84572	-	-	-	-	-	-	-	-	12549	-
Adenosine monophosphate	-	-	-	-	-	-	-	-	-	99256	69199	-	-	-	89959	144888	49105	48646	-	-	38391	-	97180360	108229920	68819144	95511816	67530520	99165432	129253272	24216356	20351314	26573416	17126378	21764748	31006362	34358004	48423824	79360	40634	54770	45197	62905	109672	89999	54776	61086	-
Adenosine triphosphate	-	-	-	-	-	-	63358	-	-	-	-	-	-	-	-	-	-	-	14248	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
Adenylsuccinic acid	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	84462	112604	116576	83175	132499	163643	89656	59763	87852	175206	73337	115469	95052	215449	281032	-	-	-	-	-	-	-	-	-	-
ADP	-	-	-	-	-	-	220556	-	-	-	-	13385	-	-	-	-	-	-	-	-	-	-	62081	154509	74789	147773	135353	83081	67519	567047	885039	760909	699546	971357	784697	887120	895445	-	-	-	-	-	-	-	-	-	-
Allantoin	386021	359277	343187	673298	514165	1128349	-	-	20570	139351680	86843032	163567600	209151376	125294664	200569328	244956096	65354700	111540928	190835200	150848272	163556480	123028984	13665093	19051534	18884548	14129777	4229112	5511520	6881204	701991	384282	386505	318828	478225	597517	303746	348290	48314516	87533160	62375196	53869660	94593768	39472388	38771440	85670872	66416848	94091208
Aminoadipic acid	993586	1036904	1050998	1400789	929144	1644621	993284	955272	1154941	87326400	32986626	36035836	53635108	45507552	23250120	44905312	14284494	28870222	51025452	77919000	49051644	73668400	478993	515217	363742	243991	294998	268189	310328	156231	258342	211119	106532	213163	300866	223193	325522	35177448	59348644	33123444	12859106	33412580	10546891	6144394	17319584	25524544	24286406
Argininosuccinic acid	10254	-	-	-	-	-	-	-	-	108282	26154	2612738	6409040	4451298	309795	78587	35819	73685	3388132	4729310	3797075	4973375	-	12224	13044	21817	72916	123455	117110	24184	-	-	34931	25277	-	32176	-	-	-	5857912	8663712	-	1909450	3519355	-	-	11694868
Beta-Alanine	-	-	-	-	-	-	213707	-	-	640902	8504069	22665680	5748752	7935926	866392	7294244	1292497	6145350	21322140	764864	24111152	24404024	3290389	4190364	10249478	3911840	19078610	19782680	17419048	1245024	1008340	2006646	1621869	1211454	1209686	1369456	2118709	24474032	24579554	25448190	25106026	27184538	20979600	25352334	27516148	24121788	25374394
Betaine	107335984	31360012	54343940	23815974	31473858	43457660	333241920	326179040	359034592	548891008	478804320	513540800	621730688	1113327104	557371200	587145472	184439440	398641216	911776064	777618432	525021120	276307424	510330080	887402688	624971392	417934176	136461616	257567120	184419984	603508160	797016768	194497184	139755616	658397952	522322688	91843408	216673536	161321200	265762016	301906528	374085376	464814880	146097408	622587200	614017984	154786816	834267520
Butyrylcarnitine	1361443	1524173	1408330	1486964	1198256	1712856	76145	75750	76953	740376	476879	868329	1396504	2163512	638390	1581024	310460	782910	1027217	1205389	554572	272450	78839	217515	236434	130281	334524	361757	423063	2464391	744053	975918	705646	673585	656067	123081	1725254	143182	459676	122713	134221	436519	110732	46931	238503	342582	200139
Carbamoyl phosphate	197227	104420	115247	-	-	391968	2002362	2024270	1977172	-	72648	1779613	160271	-	1483500	-	-	28155	134827	22347	31487	26669	780062	996534	886753	919925	-	1066107	912310	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
Carnosine	33005	22262	28404	-	-	26749	69502	38361	90493	195234	568639	2082620	6676290	8015962	1055814	699822	196605	380104	3290860	3253453	1720271	953218	91198	190811	120848	146738	112418	210919	137592	127666	152665	120730	109141	74517	99310	73550	85546	-	-	873851	2126006	1271816	2221945	3160227	1306483	1064864	3870830
CDP	-	-	-	-	-	-	25225	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	12852	-	-	13764	-	-	-	-	-	-	-	-	-	-	-
Choline	-	-	-	-	-	-	26768878	2195764	10159575	86738360	1268398	24487760	147517616	143219024	136337	35721708	3381694	5823108	161307104	84581936	45225280	16759345	841781	303343	-	210947	23392016	748795	2051065	140026144	199491968	137481504	167733696	135598688	155288768	152388848	133229800	35344496	98363880	39525408	139625584	82966536	29786340	52685448	200897808	44707044	133356536
cis-Aconitic acid	-	-	-	-	-	-	696875	611297	822542	85323352	26677738	250996752	221806336	242945104	62382648	142657424	84691120	136184928	246567104	392836800	168640304	182446368	133601	100917	79616	64393	55690	286214	85026	295571	363186	245399	403190	467990	527728	244271	215270	-	56638604	84788056	66336816	93046456	58769188	35294084	79875920	62538624	79252480
Citric acid	-	-	954318	-	-	-	31522164	20949600	16410486	129657312	-	234437552	339866016	109391400	-	60145680	83107592	12944350	164566496	262530512	21941802	46237192	7831488	6583386	6747344	5677908	5998880	11213170	6732948	10026624	11107309	10532946	12842927	12603071	13264278	10103316	9032390	-	-	120032576	-	-	83237272	-	-	-	132756944
Citrulline	3174211	5657115	4715002	6467516	4641971	3782284	3794186	4964376	5440434	5909040	3625416	52611696	174236000	76744384	9066763	6435104	4260838	4251339	75696840	84075456	63224976	53333788	17120534	32845168	24850148	17716888	407271904	254199968	271942560	47288484	34114696	271875008	243283600	15928171	91945128	162954672	324430240	-	107928608	26204874	227772512	-	55254976	533634592	224233760	-	256923504
Creatine	631325696	252582640	327589376	376451232	422961600	517944384	-	-	-	1749954944	1908782592	2180086272	2228699136	2202050560	1976239616	1706470912	1050208576	1812387584	2257848320	2070314752	2198068224	2281245696	369062816	644271424	505280576	565171072	805577856	699257024	604176448	417882848	378375456	580907968	578487360	438592224	325808384	453490272	596389888	1763635072	1766652928	1815280768	1764823424	1864620928	1697402496	1659874432	1987854336	1738600576	2009167616
Creatinine	60581460	58649284	56987324	96170600	89110600	114778752	-	-	523830	1183035008	1158338688	1388022400	1379933312	1386455168	1267753600	1658127872	1024767616	1245401728	1475759616	1645268864	1276920448	1357871488	14644774	22102882	18919586	16509147	27652672	22776834	24227648	10663864	8976570	20216946	12322327	11056166	9104590	10604519	12903882	759865408	877589440	858331200	811618176	874031040	705286464	564900928	867238592	805226112	831207296
Cyclic AMP	46114	41641	-	-	-	-	22871	14323	20067	3246356	2473600	3364015	9138458	4972517	3446644	5300360	807546	1841491	3949560	4342444	4519788	1967981	-	-	-	17657	-	-	-	-	-	-	-	-	-	-	-	1857094	3552546	3409206	2983641	2681283	1059845	4441281	3225432	2079577	6901356
Cytidine	27095450	25262254	25397950	21169694	16634992	4389638	229352	241506	270276	317822	273170	281120	458190	360422	281029	387132	144450	259161	255398	234453	296388	162108	2637364	2907722	2614596	2287261	3241568	3048262	3507966	2625112	2286654	1360642	2569633	2461163	2484218	1688575	2293705	92669	234907	155630	95943	230130	157706	120592	329231	177412	452233
Cytidine monophosphate	-	-	-	-	-	-	-	-	-	-	-	-	13137	15497	14504	-	-	-	17035	-	-	-	1665101	2133974	1843034	1526669	1878940	2514245	2480497	1597883	1426995	1621901	2810838	1763663	1787907	1820131	2623714	-	-	-	-	-	-	-	-	-	-
Cytidine triphosphate	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
Cytosine	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
D-2-Hydroxyglutaric acid	-	-	-	-	-	-	5356698	3003322	3643862	4503098	4358916	41745048	94411864	116377784	271153504	508349568	10978618	36412320	693347392	134355648	7320380	5408542	5888643	5905216	4871354	3010308	3816736	1577893	4482260	1500511	1027782	1413556	2447430	2084071	1886582	2439502	1832206	16288478	59161732	65780256	38347648	83209840	25840722	17063896	72431432	63307608	50139976
D-Glucose	12562404	8546662	9398432	8702593	7099840	5057073	12818796	8829684	8643660	7516054	6123510	9467786	12883611	11451409	16659912	20257916	5928576	11476124	9844371	11789503	5892461	5101483	490734	310042	1387655	806538	1630807	4970508	3670129	914167	876186	543242	573328	479629	557138	771993	521624	5430792	13181275	20514184	4365224	15218344	5577214	2225034	17329236	17066410	17278168
D-Glyceraldehyde 3-phosphate	-	-	-	-	-	-	15835	-	-	-	-	-	-	31770	-	-	-	-	-	-	-	-	-	30431	26648	22448	122281	255603	297353	-	-	75086	118588	124903	74571	153665	-	-	31028	-	-	88944	35078	-	43835	53850	-
Dihydrofolic acid	-	-	-	-	-	-	22312	20805	31078	-	-	-	-	-	-	-	-	-	18122	16036	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
Dihydroxyacetone phosphate	-	-	-	-	-	-	16014	-	-	-	46148	-	-	105761	29857	-	-	-	-	62884	22387	41671	190531	206944	440295	19596	44079	776431	3102838	-	-	36077	51795	46772	39073	69101	-	29579	26011	-	-	77178	26206	-	36933	34152	30113
D-Ribose 5-phosphate	-	10707	12768	-	-	-	-	-	-	-	-	-	-	-	32249	-	-	-	-	40732	-	-	1328593	1617705	1891268	1061621	1678286	3782008	4528866	1495160	1884429	1395239	1726266	935575	1784977	870331	1477715	43860	76787	49767	32898	126929	40011	-	96612	102092	88554
D-Sedoheptulose 7-phosphate	-	-	-	-	-	-	-	-	-	72145	32895	70274	41031	-	57317	192732	33041	38204	60369	69766	41555	30428	1742251	2762592	2114156	2187407	7495485	11850496	11602222	3758110	2956736	2846980	4369888	2992442	2818411	4285256	2985214	-	-	-	-	-	-	-	-	-	72166
dTDP	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	13259	-	-	-	-	-	-	-	-	-	-
FAD	-	-	-	-	-	-	31853	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	13705	17677	23866	17376	-	-	-	-	-	-	-	-	-	-	-	-	-	17029	-	-	-	-	-	-	-
Folic acid	-	-	-	-	-	-	109026	163862	214547	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	11274	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
Fructose 1,6-bisphosphate	-	-	-	-	-	-	-	-	-	-	-	-	31860	-	-	-	-	-	-	-	-	-	-	-	18439	14839	31325	22088	18095	39426	86114	80392	100071	54288	55275	53724	97821	-	-	-	-	-	-	-	-	-	-
Fructose 6-phosphate	-	-	-	-	-	-	65854	32573	47729	82786	76188	90456	110291	147302	84233	154558	38347	49117	187389	143965	121691	123451	2724379	3730195	3757501	3023065	13780930	30531976	27600352	6379963	5780161	7213213	10853585	7329946	6727311	9681457	5271690	-	25615	-	22104	28508	31011	-	28775	302136	644083
Fumaric acid	216876	-	-	-	-	-	236558	206060	223418	-	169914	185342	298842	305659	-	187433	-	3490026	185045	263149	-	-	9315718	10614918	11131797	9129771	12317148	18301332	12070243	8957063	9276905	10184031	11902264	8310808	8267554	9400630	10362535	242534	-	240988	-	422944	374573	-	461838	-	361302
Glucose 6-phosphate	-	-	-	-	-	-	-	-	-	107013	105312	130745	-	90762	58069	103186	-	-	167095	94905	59054	33113	7952657	11637901	9193146	9403066	40919880	82392144	77726368	10873087	11188024	11775990	19110518	15178288	12199308	20368806	-	-	153308	-	171585	207168	385607	-	204252	1351897	1737717
Glutathione	42953	38768	31352	-	-	30491	-	-	-	-	74909	76245	244085	230112	64283	40994	-	-	131188	115426	90820	73922	86082848	52227996	3541001	77782656	2336658	9503375	24907718	34136	70279	-	-	-	-	100596	48768	40914	103681	95950	68709	131205	84934	47605	195290	144648	302434
Glycerol 3-phosphate	251033	149102	150415	-	-	33991	-	-	-	3433711	21781770	1961293	15169541	32259246	24573140	38505980	7997984	11982539	24223660	32268890	14383296	10072334	21913008	26026796	16280232	24561612	40588000	42330488	41554152	6495402	7573353	7308700	7225521	4835590	5462226	14223518	6930292	16298433	23467796	17858590	11278005	25524738	6371839	3665632	21236718	20268286	13946800
Glycine	-	-	658393	-	-	-	173468064	69700664	79491832	6049554	3764138	7387700	4972909	4465698	7064824	6110492	3012471	4730546	9089246	10109300	8718010	6981894	8495860	9217117	8355910	8548684	6589813	9658156	8031805	2479200	2909351	2530698	2042534	2340088	2076638	2375011	2336857	7190088	8392664	5765914	3891079	7055672	2061303	2464421	3029588	6178386	3954848
Guanidoacetic acid	876307	231370	319686	269343	447134	880472	270335	61571	70029	571260160	494996192	637402560	716052544	741772672	605725184	728095552	386664832	538931392	756470592	753270592	647106624	682110272	10202525	11491424	10217873	9055068	11216304	10205072	7018003	7578246	10181650	12305012	6817282	7363464	4944970	7640660	13685436	221622608	311027744	404573408	414089344	271274976	203418608	284125248	272853984	220628048	423581184
Guanine	51798916	48739496	48890560	35543000	32229406	43845920	2355182	3469994	4798088	4364194	2630008	12321538	14034247	4359594	7856910	10892279	2187761	5486718	5550988	9074361	4687734	4928250	-	-	222870	-	-	245901	-	677772	857397	550363	799804	733245	600852	514388	469774	3244978	2860948	1836590	2583892	3541526	2661962	-	2825726	3069580	2449078
Guanosine	33316702	31859496	29501890	22819640	21176784	29266158	-	107666	114571	481515	254198	354104	756680	582482	469341	566113	163396	387138	467504	519900	468823	488314	129439	97608	109516	85364	169180	119420	186235	180269	224691	185649	213620	187997	156852	122188	136737	176397	226638	219433	194404	216204	136312	-	250451	151422	281501
Guanosine diphosphate	-	-	-	-	-	-	24037	-	-	-	-	-	-	-	-	14603	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
Guanosine monophosphate	-	-	-	-	-	-	-	-	-	-	-	28004	211100	25982	-	-	-	-	27035	39077	13584	19489	4162214	5016167	3747216	3910940	2477850	2166251	2682308	1926212	2455010	2395584	1690334	2640660	2546182	2572558	2553376	52439	93609	46144	74260	110090	74985	29177	94977	88478	75982
Guanosine triphosphate	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
Homocysteine	-	-	-	-	-	-	-	-	-	-	-	459180	390354	318281	-	-	-	-	377015	245928	275817	95248	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	15117	-	-	-	-	-	17831
Hypotaurine	32953	10892	14719	-	-	16935	-	-	-	2555262	3804756	147045	237777	103586	7037014	7935165	2673996	7107848	115920	736308	117827	199211	3155150	8278272	3575929	3560950	146675	124717	100813	1497929	5476108	-	193168	2332058	1078891	-	-	2187065	2285611	128982	292714	3083401	1419484	522814	4733860	3078366	1004128
Hypoxanthine	160045696	163077600	154631280	167346560	171814416	230950896	-	-	-	15609985	22268022	70219600	82587928	30346140	44133184	31347812	24034230	18612812	23635064	25864612	28194086	18243788	431562976	473152800	414013920	423195936	446393632	486667392	477924608	298080416	288845312	305764032	323669888	271189088	265234800	267170736	319852192	8198896	9678086	8006414	13810484	29907568	12668999	12374852	19505344	9339915	20187034
Inosine	6179847	6893581	5954773	6792101	6847495	7174354	-	-	-	1073630	259073	629322	806737	542310	313944	583316	108397	247682	467029	528484	433081	273845	24934386	21696680	22437672	24973366	42836372	33679284	38817520	23011230	22161674	23923458	25649230	24966456	18949064	23438940	17424204	62552	83186	103711	91629	118173	49391	43964	104090	57311	157645
Inosinic acid	-	-	-	-	-	-	24871	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	3675206	1428806	1616595	3479480	6244182	3713128	3552523	771986	1367991	781151	1295588	1932572	2036081	2764436	2937445	-	-	-	-	-	-	-	-	-	-
L-Acetylcarnitine	9056887	9800183	8646975	8195258	7670482	9852724	99323	-	-	39751380	17391570	36999480	51041020	108959096	17253528	65940936	20766984	42116876	49121004	58483648	35860488	49239248	1585227	2337183	2839132	5003028	11052529	17108468	21546900	39674240	19929544	33364124	37264300	16728922	36582548	3998129	26640994	16022132	21455160	12348549	4329769	17209450	5046738	-	7116293	15408683	10495396
L-Alanine	14446564	6669014	7909675	9132274	10221775	11627458	283181312	273703328	285109728	20301132	22687266	26820244	26310006	25930652	23086300	20181416	12887728	21501198	27983144	24471602	24964952	24911004	58735184	73838704	76075752	62017376	60956904	74161992	77120048	23201582	23277584	19679832	18793030	19901316	20503612	22393624	20660232	28292092	28279344	27360002	30499914	31169668	27350810	28746902	29505170	27435738	30355732
L-Arginine	-	-	-	-	-	-	748148416	625089536	799267264	32374696	13119282	50035868	41399264	62421888	47915068	47922836	22050058	18242292	57379060	44047196	32171244	31195056	-	-	-	-	2828577	-	-	-	-	-	-	-	-	-	-	-	41463436	-	31154842	-	-	51341396	-	-	40176704
L-Asparagine	4030062	3629498	4141886	4142434	2938672	3793559	345539712	400017280	407777472	2475034	2052595	3943109	5491481	10263475	2810081	3575675	1138842	1829466	8539421	3856610	3680374	2386294	7766144	9145961	8426546	8969461	9798781	10542249	9892301	4244924	5410852	6896040	6062680	4931555	4964018	11452103	3611332	628241	982410	2545686	1547304	2042830	1064470	565085	2286064	1972560	1521723
L-Aspartic acid	1105648	547101	647212	789573	665504	-	9505122	6699718	9101824	-	-	-	-	-	-	-	-	-	-	-	-	-	13694009	17785974	13648071	9931322	5338921	11604190	10796974	8575466	7982800	8449603	6144765	4416054	5945536	5555606	13459006	-	-	-	-	-	-	-	-	-	-
L-Carnitine	21207848	22060954	23025862	30430678	23228302	46355496	283619	284136	298137	88016424	112083536	123356600	212779184	941608896	220782704	312109248	86726216	119786832	144208096	270513248	115241800	51094292	398142336	567804992	441855648	429669088	405548160	463337408	426458784	395152256	400642304	427943808	321159552	395082400	368891488	276979232	411312608	19731492	44626928	24151860	34878464	106188872	42121764	42388380	79596872	46925672	134373504
L-Cystathionine	-	28179	-	688736	672711	587641	31267	25758	43631	-	-	441266016	475881408	32875504	-	-	9356054	-	635815616	343845856	612717248	637279936	-	-	-	-	231930544	341841568	341818496	38859700	30155808	185185696	176658928	-	43915256	177831488	203278592	-	-	410736608	360032544	-	113160616	177785728	130298624	-	429726720
L-Cysteine	75066	38314	54235	37066	22894	31533	-	-	-	-	-	102502	461667	53644	33604	36079	-	33010	102709	82113	526813	53662	-	-	-	-	-	28176	47846	-	-	21736	20411	-	-	19435	33777	-	21651	66707	52594	20912	-	-	-	20657	51897
L-Cystine	-	-	-	-	-	-	15862	-	20179	510170	399441	140437	213810	193025	536279	1096151	213880	192312	268668	297172	169633	249056	-	-	-	-	-	-	-	18742	-	-	-	-	-	-	-	77394	236206	92198	228092	320066	193004	1099243	943013	182826	347020
L-Glutamic acid	21957616	13302902	15027891	6446784	6707050	5296034	274376608	261088048	318657536	3711212	1639669	2147862	3054276	8504559	965580	2910220	1038415	1820005	3026903	7847022	2393540	1630023	25252996	26062776	17293078	17409402	23826292	17987656	19964100	19322504	23578522	31483654	27096648	17412968	18865776	30892950	21101846	-	782236	5325582	1466112	1649042	2711030	-	1444427	1524108	7695702
L-Glutamine	24169214	26079356	27231248	26081750	19186472	26918486	508324352	565497152	599153792	83464656	70233152	92432672	111914624	153009120	82234976	112320048	48137164	70422480	91279288	101236960	69451840	62468244	329035168	246634976	271322080	284476832	372236192	380746080	400959968	174468560	201580912	200985408	204634832	218679472	228665536	230101008	168338656	28511502	33388166	46913784	25108386	40259400	29982096	41177296	37247936	36216932	21735016
L-Histidine	9186307	10611768	11539633	15328450	10427893	12639661	875641024	664696960	768749760	1719827	895193	10852589	726022	16400231	12185610	11851753	8922181	9231803	9572773	3278045	-	-	112783184	135910688	177596752	121243736	217278576	254397248	221697456	74074632	71931152	95861520	102988496	78448080	99885712	80901120	79375136	-	-	-	-	-	-	18784096	-	-	-
L-Isoleucine	24670618	20360772	22032932	29425180	19159242	27556736	1135404672	1158111104	1216480768	18982118	9928877	17748726	46979464	26892260	13190311	22021326	5869548	13006472	30602334	29520438	14703624	16801428	76155296	90075672	84149080	76222120	69237936	75330032	81098648	22539260	21606366	19907164	19734602	24376892	24900580	20740162	32589142	3350015	6362798	5559738	6973966	15017487	5291080	6555564	18278030	5723960	20531852
L-Kynurenine	1780794	1639664	1565528	614593	841879	977068	1467049	1180510	1177418	336595	300925	274167	161746	178153	298050	76688	59489	274613	141001	166042	124271	176127	1019543	2825213	3485072	2214066	1118229	759947	1134159	1537100	616396	434337	504072	505298	1056285	208690	686023	136963	441224	79680	56782	148014	108842	30052	180318	129690	50190
L-Lactic acid	-	-	-	-	-	-	-	3182726	-	-	-	-	-	-	-	12677906	-	15203908	-	18901580	-	-	117216560	182583536	192392048	179832928	289422048	315548832	299924000	67946656	69742552	62807972	64562160	64979456	74257440	61362608	60989564	1282663	1550903	1262089	947009	2425637	679281	540547	2677193	976405	2418920
L-Leucine	18676754	15749375	17604740	24995576	17196122	21881794	1178993536	1142174848	1275160064	23678360	13085871	32465730	32330360	41274460	23477296	36314884	12388230	23411466	42276200	60943852	38971180	29345392	31474438	33008122	36949192	32435114	45649616	40319764	47091596	10669442	7405266	11667517	10898417	10217852	13763603	11985744	21058996	5771891	11787837	11177744	7245066	12018853	5442662	3451108	10014995	11416046	13639053
L-Lysine	-	-	-	-	-	-	614469568	576618176	539366848	4529374	-	8869884	10461035	28989460	6456706	11906604	2879465	4587604	16380186	13075847	6309682	6511252	3061584	8658425	7709814	6934912	37594340	14712135	7562086	-	-	-	-	-	44450092	-	-	-	12064432	6620840	-	-	-	18244838	6888354	-	6035880
L-Malic acid	2013289	928157	-	-	-	-	2407371	1857409	2232680	-	5218272	3604944	5808638	-	4522218	4690625	-	41906168	-	10155042	-	-	99061296	108668344	118182376	98538272	132319408	185124064	129998072	80336040	82319760	88762328	100689968	72198104	73112360	81348688	89330888	4040443	4067070	4917852	3392670	6582483	4863026	2928273	7796110	3925603	7195867
L-Methionine	11472066	11409515	11680225	15741439	11008660	13170894	993120576	990733824	921051776	2404762	2518621	3364256	6812909	21836884	6015461	6098882	2295983	3828203	8825217	7343833	4098314	3749890	52928256	66731004	52967200	53091224	40785072	49893444	48331212	14080542	12347168	10069993	8666177	12378009	10198533	10963498	13254089	951596	1017353	2212137	701472	1388862	2114178	651764	900432	721844	1877361
L-Phenylalanine	27440948	25794996	25536134	35415536	24789188	30814714	2032983424	1729008896	1879948032	8882618	6455258	7522116	9726272	20036460	12390850	9124674	2243919	4714928	10970525	10574579	4955320	4653652	64976600	77310136	75002848	66509336	66082804	76481568	72304792	25493104	23845820	22077554	21780582	24568010	26489676	23439080	31021372	2854569	4634063	4796480	6368618	7544949	2874231	5863773	7404955	5296466	8313520
L-Proline	191921040	60962668	84094864	75469424	65359420	92179680	1325285376	1338580864	1439157376	39597608	23414478	19080672	32645664	68155216	33160504	33429730	12705048	17547032	36758260	45536556	25222488	17791526	198536576	275261312	256521760	206590896	253797056	268479488	228267440	89805168	88419584	98391200	97649984	89007528	77094768	127594176	116241688	18307910	18554084	22392372	31703744	49805888	16839870	25958126	38874980	21259312	38207912
L-Serine	3650498	2845252	3212436	3310956	2762752	3297281	357062400	313317632	320980000	1584204	952391	1197139	1496117	8012210	1609844	1845724	649836	842680	4048278	2874058	1574170	1261559	12805774	15910099	15520300	12794357	4341390	10006267	7479896	4147620	4229055	1887427	1944744	3918568	3448986	2562309	2233420	965770	450972	540061	702756	2064157	720554	512362	979043	1046382	807402
L-Threonine	857773	794970	895775	1464373	-	1169780	229912480	254535008	285572256	484451	358506	1091221	1539621	1951362	1044179	2200397	278237	334034	3291732	2311130	1101000	804733	4245950	5069124	6990300	4628094	4260423	8897670	8387441	-	-	-	-	-	-	-	798593	-	-	-	341332	243505	-	2629849	559448	-	559664
L-Tryptophan	6163850	5593460	6014010	10016555	6215694	8307102	598842624	559618112	612314496	31733	-	38357	24763	22276	28477	40181	20523	-	41120	42289	-	39382	9558091	10630296	9014393	9138226	9114430	10499260	11176149	2636752	2857769	2659418	3052154	3234202	3123829	3050345	3814520	148930	210487	284228	240968	285801	156305	204977	284783	240676	218864
L-Tyrosine	11646844	10839452	11200415	14854688	10326679	13292053	708646976	666516672	733318144	3240554	2477538	2623590	2704179	4153290	7334876	6541608	2479385	3506725	4633804	1938573	2477224	2854067	30866102	39695200	43071008	36230996	31492418	22395474	24579638	11901841	10228540	9128195	9591098	11327387	10766220	9556104	15230177	1219106	1460677	1026659	2668161	2585164	1396553	9094366	4144390	1510419	2334210
L-Valine	25193248	20979542	23313916	33517272	22375686	29857936	725524160	753747520	872891328	810300	1783902	1858645	2138846	104688616	284797	1010409	1054740	2012737	1058873	1425867	1888070	3627678	52700908	67395520	60546360	50160664	53534924	54689936	53045524	24561272	19485056	17254540	15259635	22479070	27462852	15475057	31304892	2910198	3901991	2858338	5631784	6204110	2935720	13328717	7523363	3379917	56151788
N6-Acetyl-L-lysine	47667	-	-	-	-	-	-	-	-	-	-	-	-	48470	55707	-	-	48892	65391	69433	-	-	-	-	-	-	-	-	-	202906	1612136	1525862	943169	263951	209796	143903	1392672	-	21609	22323	25165	36646	27376	-	38382	26407	95546
N-Acetylglutamic acid	85375	67584	68761	-	-	-	287580	190539	204534	22576480	8094634	4603542	40000832	77860744	12505027	6332549	6240514	8672757	7276036	74278568	16733466	6764742	4231067	10664481	8210600	5698942	6821776	7805290	6779922	1346975	1407674	3424934	1358623	2240124	1277432	1017976	5537236	5744728	9459349	37204388	17943294	16482725	22958606	2103819	16590578	14320974	54144400
N-Acetylglutamine	98865	77861	77203	-	-	62697	1085610	904651	961303	98543608	53795284	138615008	199553648	158902432	32573886	57872684	31546416	53189548	33600556	161894528	91104712	167663248	4310880	4192845	5984729	4390904	3890539	5281480	9158537	1768608	3422422	2528262	1313929	3003881	2645588	2043225	1565994	17321074	13849263	20624750	9559061	19551408	14846288	7927282	16138778	9320083	34277940
N-Acetyl-L-alanine	948105	736803	729379	227873	222305	451684	186881	180591	274836	3825692	1365260	3247766	10878305	8260003	504324	553521	515786	685877	2631454	3821259	4015887	3022375	838767	886213	736874	750993	855898	867592	931978	187715	149939	139847	85621	173122	132685	274816	190231	863042	652817	2799742	6456138	2838190	2817462	6918326	2240523	1071040	7748358
N-Acetyl-L-methionine	907806	875353	842675	226760	224789	362942	93575	86443	116711	223860	284741	206205	270456	235640	310347	449621	268979	169467	468721	428536	413403	283626	229034	210189	230622	222316	284267	257498	446309	76889	53884	108898	45287	58889	27169	113320	68284	273964	363578	320988	211982	427674	334620	127299	421890	309822	1557638
N-Acetyl-L-phenylalanine	-	-	-	-	-	-	980782	553026	653006	523866	1041826	898036	1612735	2279400	3149574	2484149	948015	1225064	1620057	1842425	1571980	2026183	178363	383061	279564	271601	330286	106839	137250	162000	-	339868	169546	169198	124448	170456	254623	326338	828697	1196873	1137689	1267677	692504	3899118	2001198	2925041	3337315
N-Acetylornithine	303258	222113	257591	191047	143742	264749	9383095	7276232	7301940	685726	238444	1408820	2730648	5126532	568334	384891	213600	505742	1673042	1984867	1424364	1024656	586916	925176	677281	623506	381253	315048	326098	669103	736625	291559	489620	990887	1145148	359204	506633	-	468154	839238	1904279	764643	598206	10344627	1499200	737640	4894025
N-Acetylserine	2109537	1850479	1884370	1428877	1045240	2109832	4898193	4175578	5199063	21027780	15406799	15750815	35604524	60660612	11342074	5718830	2148062	5321413	14209524	57379912	29341856	29299174	1689263	2680719	2341550	1259402	924439	1739120	2034362	343943	618514	354175	207410	532190	487356	373329	753193	8480769	3841739	10896075	5176654	6873964	8102544	7851902	9172560	2963024	25468944
NAD	-	-	-	-	-	-	108990	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	35017	-	27882	56814	38204	38163	-	38463	21292	-	18696	39098	25049	20323	-	-	-	-	-	-	-	-	-	10076	-
NADH	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
NADP	-	-	-	-	-	-	-	18049	-	19281	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	11565
NADPH	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	10051	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	10936	-	-	-
Niacinamide	10682915	10120878	10650558	6633294	6832502	4880844	-	-	-	67601168	104342408	123833760	31508528	161892304	11232644	67509840	25417680	64451624	69065400	47947884	64918808	58457820	755423040	849950016	736947072	775425664	858148736	888136640	909474752	565778048	603365312	580361216	582773056	599082048	593694080	572798784	631075392	110405168	125105920	65315840	181837856	117309176	36628448	215968304	154925760	76023216	89147136
Nicotinic acid	-	-	-	-	-	-	236028	208105	252127	-	30196	595397	374963	-	31424	29338	-	381528	-	-	382055	1453788	-	-	-	-	50878	-	111140	-	-	-	-	-	-	-	-	-	-	33826	51502	38775	25284	38151	59590	31432	89785
O-Phosphoethanolamine	-	-	-	-	-	-	-	-	-	165202	180605	118517	74130	176589	114967	379747	91869	57243	227887	202958	139293	128553	1651226	2640580	1691342	1641215	1092473	1797382	1851540	1767464	1787244	1126942	1467127	1071614	1436156	941416	1164185	71740	96339	88721	62567	90229	-	-	70561	65908	63847
Ornithine	-	-	-	-	-	-	3151385	2514020	2509353	1352782	-	1091274	1989479	3045892	2798382	1606250	1195868	871009	2619012	1930072	915346	3208092	12104428	16145415	15183568	13777068	9421714	29097044	18494152	12684074	-	12524321	17664414	-	19427674	17990930	17599864	-	-	-	-	-	-	-	-	-	-
Orotic acid	212929	192870	202132	212130	164206	564583	-	-	-	142906992	73844680	518695008	1176130176	443620864	100565632	265856768	49087232	139603712	1202956288	1150445440	448341216	505511840	13779	34582	18844	-	1674250	1511518	646894	-	-	391712	73851	-	14996	45891	1257095	11424017	24260256	10719812	33127204	18128346	13453479	37039296	22103426	14001727	85053416
Orotidylic acid	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	35947
Oxidized glutathione	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	12217742	17852654	21161782	13831258	7433745	6884969	6271036	12481631	11336095	10490970	13306187	12461113	12518332	11607728	14299046	-	-	-	-	-	-	-	-	-	-
Oxoadipic acid	258528	175755	212121	93430	76469	117939	77058	67411	53892	-	33657	73036	74909	69019	24523	355774	-	-	56306	58755	40830	23831	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	48836	43331	59479	57153	48892	34414	67934	55833	325076
Oxoglutaric acid	-	-	-	-	-	-	1630014	2096490	2875170	289848	4592670	20997216	104916072	31029912	22216190	22127418	7180997	2784978	48231988	120960936	17264698	12076426	621755	799485	268311	919553	94904	91251	187060	-	-	-	-	-	-	-	-	-	2563943	2729636	3609738	15824399	7742542	-	10059671	3128006	12367654
Palmitic acid	-	3163366	3240679	-	-	-	16286318	15452117	22092518	2764317	2403952	4346499	-	3065725	-	2456217	-	6752225	2459116	2185653	-	7012790	2009029	-	-	-	1815945	-	-	-	-	-	11277370	-	19319856	39894340	41671616	5019024	3197126	-	-	2703581	-	-	-	2305951	-
Pantothenic acid	2574718	2288915	2272417	1644518	1306731	4356566	113426472	110303600	135882928	34935512	25335186	58901864	197095840	362421760	42229028	52472084	29569754	40053388	49342872	67184752	70764936	16927126	8613492	10091849	6379802	6933826	7679422	9316709	9973377	4716260	4442840	4730070	3711810	6433348	5377928	4737388	3607246	5480930	11345742	2290802	35425924	61785076	49480988	15530040	84181064	46439736	63357188
Phenol	-	-	-	-	-	-	-	-	-	39674772	9710095	16882602	32695164	7830710	76322392	58119580	27423894	42080788	47207972	71444928	32059120	59505876	-	125432	-	-	-	-	-	-	3871153	-	-	4502670	4252498	4248446	4027097	21468200	14613803	19243524	16534255	31219010	12924525	6391087	37232396	17925128	23871090
Phosphocreatine	-	-	-	-	-	-	-	-	-	35735	-	-	-	-	118478	-	-	-	-	-	-	-	-	22140	22167	-	68120	43204	24108	69525	75423	170651	179544	62892	43244	102857	232300	-	-	-	-	-	-	91721	-	-	-
Phosphoenolpyruvic acid	-	-	-	-	-	-	-	-	-	1613796	895273	1306276	199191	2525594	852023	616309	-	-	3647316	562950	1843078	433988	765444	1706754	1411622	1910741	3152717	4061301	4896122	-	1390940	-	1391561	-	1472310	-	-	-	1457079	-	-	2107836	-	-	-	1469405	-
Phosphoribosyl pyrophosphate	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
Phosphorylcholine	-	-	48874	-	42628	-	760190	586983	670897	29645832	24110758	16861208	802296	3559420	1912287	22839718	77459344	2957358	26698884	135087	13817115	9756160	107135672	147830864	131914248	106427784	106406744	217979024	182496576	321387712	246247136	183702704	295505792	235937056	245822560	185859744	313906336	31884508	49485784	57015964	51263276	59909860	11412355	13987804	49960816	44156208	28349892
Phosphoserine	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
Pipecolic acid	1051509	523928	642447	387145	437612	668487	15878480	10592507	11604276	325586048	262534480	371939680	345043680	536443872	276252512	452285728	197411968	312531072	430267168	425505600	348595616	285119040	7901147	8722068	8879540	9417339	13321900	7987938	10215123	10793294	7293571	8626465	9974572	9503954	10499913	6518786	11424960	148007200	234787792	215179920	182566384	220359280	105761008	131247664	204853056	199195120	219353360
Propionylcarnitine	2167190	2271978	2130598	2941166	2448774	2882681	109109	100107	150232	266955	159430	249962	456410	1159332	306653	361392	169081	165637	223015	416014	231504	196296	1257979	1956793	2712600	1171994	2963098	3880157	3266636	10084547	6734394	9326860	4984489	4908350	7519542	1595824	10796078	55437	81464	152136	108133	99750	31825	-	68027	71728	83634
Pyruvic acid	-	-	-	-	-	-	42272	66394	99929	334265	421302	1604673	3959265	4525682	2327330	2544262	453717	108179	4774106	5709333	2357917	1171315	132239	369389	208382	308015	236174	158826	197849	369155	343541	394492	365181	394384	278208	378957	271903	126263	368523	487285	434153	501946	242953	243340	578893	450861	1052823
Ribose 1-phosphate	13806	-	-	-	-	-	10799	-	-	26988	14910	67208	72953	39418	28960	107945	19797	16568	27017	37629	26680	17420	6522193	9467708	8342415	9001586	12216349	12102947	12123457	16632275	18562590	16293575	17999194	16292037	18901192	13531191	17512952	-	57092	129281	-	-	-	-	-	-	-
Saccharopine	-	-	-	-	-	-	24754	-	25094	-	-	152545	194931	107855	20173	12635	-	-	188661	117374	81602	117671	353663	420936	280987	528906	355395	220643	78841	538198	352260	663253	678607	239301	543254	211353	858134	-	-	68732	93649	-	-	133081	-	-	119427
S-Adenosylhomocysteine	126325	100845	95519	76696	71137	61966	-	-	-	-	-	93648	105482	24005	-	-	-	10789	27889	17254	-	-	332709	207361	323705	344015	4489107	3175300	4104173	37427	36391	1016247	228539	67354	47396	1594219	1535589	-	-	42789	78571	-	21196	100943	23103	49973	112001
S-Adenosylmethionine	80803	64063	75018	243533	155511	178214	40415	19950	24041	7043559	9109086	6771984	2443190	7746565	13374248	20854332	9402032	11673435	3777060	7741929	7471018	4557898	108340	877828	573122	141162	332699	1073162	1773676	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
Sarcosine	173680	-	-	-	-	158105	18270064	13459911	14550406	23209330	17238196	15269788	11689897	9623873	27110386	22003572	11393614	13715184	9613803	19846952	10400049	14601990	14204851	17937970	7919652	10972591	19575328	19062658	23688366	4544758	5078413	4897674	4386266	3827040	4776848	4062206	5873516	9461342	10341477	8693693	7222274	14568590	6749136	4622350	11160541	13069378	7951226
Succinic acid	-	-	-	-	-	-	1318481	795820	939296	4782648	3341760	29020766	22147138	10654253	6295248	11960983	1212397	4565840	3107354	13044103	1857808	1992464	442828	897620	412609	748127	892864	942173	719397	497865	351437	372158	529774	331084	424176	360512	505716	142771	1298025	1645168	1086918	1752413	834703	1042590	2707235	1362144	3559106
Taurine	2718194	724984	938971	1350070	1294548	3191129	-	-	-	244786736	307499808	105677464	253714288	103779368	609909760	613806016	229435104	423297664	136275632	473348672	115587936	217646256	228807856	225569696	246079424	279476096	254747072	256717504	307571488	190957760	147968320	148094752	153835248	185292720	203309360	152425632	91981504	294948448	389170528	196500176	490690176	352189600	228275696	444427968	423460960	253801392	567517504
Thymidine	5772410	5249004	5358761	8980129	6413254	7633924	-	-	-	1865796	866702	2070595	5325582	6900741	1156002	2707028	160548	1241337	3355475	3521314	2286000	424672	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	184663	563905	788264	238633	2653816	511192	68403	2704066	1409769	2377410
Uracil	13570314	14310180	13217231	12865106	13839003	11892884	-	-	-	1148651	585560	815703	1476110	1319496	443831	2303386	185322	1367067	2975748	800976	1417858	983186	2511686	2433423	2586084	2098215	8539059	16024968	11696388	1943336	2510617	5765240	7805910	2909224	1665560	3198410	4328292	128236	129941	176675	580502	217362	152940	1283076	424915	251056	1113634
Ureidopropionic acid	-	-	-	-	-	-	81819992	99157224	109056736	45929	40665	1321553	540843	159203	61193	78502	18933	29998	207662	151405	89987	77412	2313650	2427678	2194634	2205300	2042040	2704285	2686486	317681	330492	360573	-	403469	-	398694	586243	-	161949	290246	166431	253639	118691	-	236843	199983	195913
Ureidosuccinic acid	-	-	-	-	-	-	-	-	-	15486	-	1325028	21490412	1883464	2147796	2311274	13140	44078	12379605	3315492	273254	302427	-	18922	-	-	509994	329946	254298	-	-	23183	-	-	-	-	94666	-	-	106747	3112609	-	145916	1305902	136982	-	1667744
Uric acid	101763	70411	58858	91666	75248	212232	-	-	-	4083362	2175045	4129454	6899394	2201081	2784830	2938494	800282	1819017	2233791	5398006	3972014	1287050	-	17443	-	45501	-	21317	33769	48575	11547	-	14975	13623	31196	-	12362	380841	1068373	442839	1128188	2707583	314552	617196	4235395	1060819	3677777
Uridine	5972858	5525736	5442427	5554678	4881699	5114210	254863	194265	244765	308204	214274	550988	542250	2631490	206829	547730	88956	227377	664185	464874	383821	104730	2304420	2312033	2821954	1826756	5424087	11280243	8229334	1742857	1736460	3769561	4145598	1494573	1297837	1935782	2638421	43986	139137	71788	58742	373299	75595	35610	415056	171979	507861
Uridine 5'-diphosphate	-	-	-	-	-	-	32863	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1467954	1578920	1473085	1187790	1108629	673467	1255122	407218	673633	479708	515863	139091	334443	201959	1468940	-	-	-	-	-	-	-	-	-	-
Uridine 5'-monophosphate	-	-	-	-	-	-	-	-	-	-	-	-	-	-	10806	-	-	-	-	-	-	-	13184725	16497259	12221096	13467716	16742133	23709450	20930202	7990209	8362483	15466976	11107025	7503142	7846713	11411918	20954722	-	-	-	-	-	-	-	-	-	-
Uridine diphosphate glucose	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	12771	-	-	-	-	-	-	7578419	6976859	7056286	5857462	5789532	4201473	6227141	1538418	1850972	1680287	1754016	492453	1179848	543986	4527262	-	-	-	-	-	-	-	-	-	-
Uridine diphosphate-N-acetylglucosamine	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	454426	456244	357969	388832	339304	778379	1095730	129045	171241	359483	412318	170747	122055	160438	503282	-	-	-	-	-	-	-	-	-	-
Uridine triphosphate	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
Valerylcarnitine	6709744	7249170	6606384	8303038	6402165	10949224	50729	-	30827	123746	58415	279114	559325	508032	89893	125632	48797	82608	143874	227292	61302	105625	68879	88146	134027	183542	147697	151288	148042	980452	265289	326367	207253	171354	308300	52769	678758	18778	46175	29680	64758	66000	24193	35656	77647	45877	143912
Xanthine	5608654	5333568	4941937	15063509	8762040	4423872	531322	564394	641576	10067103	8107582	24272060	19389590	13366703	15408447	20429474	5566927	7785851	15483996	21785208	12821655	11423673	42542476	44189556	37132252	40590464	35656964	43571832	46348980	41886396	39289400	36255664	39883684	34679548	41081388	35309244	41235952	2843308	5681521	3208242	4430147	11275597	2461084	1987242	8459801	4035360	6989351
Xanthosine	100572	106395	80678	422755	281531	119361	183590	124955	177587	178201	167238	227747	367784	325150	149341	396331	106431	127003	227400	330096	311772	238057	501812	356695	344427	604906	433356	145728	199201	1123391	531166	543955	788473	722695	1110496	577002	871491	60114	65887	44474	49536	75003	27701	27910	80567	62706	100985
Xanthylic acid	-	-	-	-	-	-	-	-	-	-	-	-	-	-	26319	22333	20002	11854	52866	-	10914	11054	74365	91081	55093	104132	87994	132694	131400	-	-	-	-	-	-	-	-	64248	34050	-	23037	36550	-	-	31211	31708	43956
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
1-Methylnicotinamide
2,3-Diphosphoglyceric acid
3-Hydroxybutyric acid
3-Phosphoglyceric acid
4,5-Dihydroorotic acid
4-Hydroxyproline
5'-Methylthioadenosine
5-Phosphoribosylamine
6-Phosphogluconic acid
Acetoacetic acid
Acetyl-CoA
Acetylcysteine
Adenine
Adenosine
Adenosine diphosphate ribose
Adenosine monophosphate
Adenosine triphosphate
Adenylsuccinic acid
ADP
Allantoin
Aminoadipic acid
Argininosuccinic acid
Beta-Alanine
Betaine
Butyrylcarnitine
Carbamoyl phosphate
Carnosine
CDP
Choline
cis-Aconitic acid
Citric acid
Citrulline
Creatine
Creatinine
Cyclic AMP
Cytidine
Cytidine monophosphate
Cytidine triphosphate
Cytosine
D-2-Hydroxyglutaric acid
D-Glucose
D-Glyceraldehyde 3-phosphate
Dihydrofolic acid
Dihydroxyacetone phosphate
D-Ribose 5-phosphate
D-Sedoheptulose 7-phosphate
dTDP
FAD
Folic acid
Fructose 1,6-bisphosphate
Fructose 6-phosphate
Fumaric acid
Glucose 6-phosphate
Glutathione
Glycerol 3-phosphate
Glycine
Guanidoacetic acid
Guanine
Guanosine
Guanosine diphosphate
Guanosine monophosphate
Guanosine triphosphate
Homocysteine
Hypotaurine
Hypoxanthine
Inosine
Inosinic acid
L-Acetylcarnitine
L-Alanine
L-Arginine
L-Asparagine
L-Aspartic acid
L-Carnitine
L-Cystathionine
L-Cysteine
L-Cystine
L-Glutamic acid
L-Glutamine
L-Histidine
L-Isoleucine
L-Kynurenine
L-Lactic acid
L-Leucine
L-Lysine
L-Malic acid
L-Methionine
L-Phenylalanine
L-Proline
L-Serine
L-Threonine
L-Tryptophan
L-Tyrosine
L-Valine
N6-Acetyl-L-lysine
N-Acetylglutamic acid
N-Acetylglutamine
N-Acetyl-L-alanine
N-Acetyl-L-methionine
N-Acetyl-L-phenylalanine
N-Acetylornithine
N-Acetylserine
NAD
NADH
NADP
NADPH
Niacinamide
Nicotinic acid
O-Phosphoethanolamine
Ornithine
Orotic acid
Orotidylic acid
Oxidized glutathione
Oxoadipic acid
Oxoglutaric acid
Palmitic acid
Pantothenic acid
Phenol
Phosphocreatine
Phosphoenolpyruvic acid
Phosphoribosyl pyrophosphate
Phosphorylcholine
Phosphoserine
Pipecolic acid
Propionylcarnitine
Pyruvic acid
Ribose 1-phosphate
Saccharopine
S-Adenosylhomocysteine
S-Adenosylmethionine
Sarcosine
Succinic acid
Taurine
Thymidine
Uracil
Ureidopropionic acid
Ureidosuccinic acid
Uric acid
Uridine
Uridine 5'-diphosphate
Uridine 5'-monophosphate
Uridine diphosphate glucose
Uridine diphosphate-N-acetylglucosamine
Uridine triphosphate
Valerylcarnitine
Xanthine
Xanthosine
Xanthylic acid
METABOLITES_END
#END