#METABOLOMICS WORKBENCH Renata_Goncalves_20250324_072348 DATATRACK_ID:5773 STUDY_ID:ST003846 ANALYSIS_ID:AN006320 PROJECT_ID:PR002404
VERSION             	1
CREATED_ON             	April 7, 2025, 6:26 pm
#PROJECT
PR:PROJECT_TITLE                 	Hepatic Coenzyme Q (CoQ) Deficiency Drives Reverse Electron Transport and
PR:PROJECT_TITLE                 	Disrupts Hepatic Metabolic Homeostasis in Obesity
PR:PROJECT_SUMMARY               	Mitochondrial reactive oxygen species (mROS) play a crucial role in physiology.
PR:PROJECT_SUMMARY               	While excessive mROS production has been associated with several disease states,
PR:PROJECT_SUMMARY               	its precise sources, regulation, and mechanisms of generation in vivo remain
PR:PROJECT_SUMMARY               	unclear, limiting translational efforts. mROS production is not a single
PR:PROJECT_SUMMARY               	process; at least 11 distinct sites associated with the electron transport chain
PR:PROJECT_SUMMARY               	and matrix substrate oxidation can partially reduce oxygen to superoxide and
PR:PROJECT_SUMMARY               	hydrogen peroxide. These sites exhibit substrate specificity and differ in their
PR:PROJECT_SUMMARY               	capacities to generate mROS. Here, we show that in obesity, hepatic coenzyme Q
PR:PROJECT_SUMMARY               	(CoQ) synthesis in vivo is impaired, leading to decreased CoQ9 levels and an
PR:PROJECT_SUMMARY               	increased CoQH₂/CoQ ratio. These alterations in CoQ metabolism drive excessive
PR:PROJECT_SUMMARY               	mROS production via reverse electron transport (RET) at site IQ of complex I.
PR:PROJECT_SUMMARY               	Using multiple complementary genetic and pharmacological in vivo models, we
PR:PROJECT_SUMMARY               	demonstrate that RET is critical for maintaining metabolic health. Furthermore,
PR:PROJECT_SUMMARY               	we show that in patients with steatosis, hepatic CoQ biosynthesis is also
PR:PROJECT_SUMMARY               	suppressed, and the CoQH₂/CoQ ratio positively correlates with steatosis
PR:PROJECT_SUMMARY               	grade. Our data identify a highly selective mechanism of pathological mROS
PR:PROJECT_SUMMARY               	production in obesity, which can be targeted to preserve metabolic homeostasis.
PR:INSTITUTE                     	Harvard School of Public Health
PR:DEPARTMENT                    	Molecular Metabolism
PR:LABORATORY                    	Hotamisligil Lab
PR:LAST_NAME                     	de Lima Sales Goncalves
PR:FIRST_NAME                    	Renata
PR:ADDRESS                       	665 Huntington Ave bld 1, room 609, Boston, MA, 02115, USA
PR:EMAIL                         	rgoncal@hsph.harvard.edu
PR:PHONE                         	4159402482
#STUDY
ST:STUDY_TITLE                   	Hepatic Coenzyme Q (CoQ) Deficiency Drives Reverse Electron Transport and
ST:STUDY_TITLE                   	Disrupts Hepatic Metabolic Homeostasis in Obesity
ST:STUDY_SUMMARY                 	Mitochondrial reactive oxygen species (mROS) play a crucial role in physiology.
ST:STUDY_SUMMARY                 	While excessive mROS production has been associated with several disease states,
ST:STUDY_SUMMARY                 	its precise sources, regulation, and mechanisms of generation in vivo remain
ST:STUDY_SUMMARY                 	unclear, limiting translational efforts. mROS production is not a single
ST:STUDY_SUMMARY                 	process; at least 11 distinct sites associated with the electron transport chain
ST:STUDY_SUMMARY                 	and matrix substrate oxidation can partially reduce oxygen to superoxide and
ST:STUDY_SUMMARY                 	hydrogen peroxide. These sites exhibit substrate specificity and differ in their
ST:STUDY_SUMMARY                 	capacities to generate mROS. Here, we show that in obesity, hepatic coenzyme Q
ST:STUDY_SUMMARY                 	(CoQ) synthesis in vivo is impaired, leading to decreased CoQ9 levels and an
ST:STUDY_SUMMARY                 	increased CoQH₂/CoQ ratio. These alterations in CoQ metabolism drive excessive
ST:STUDY_SUMMARY                 	mROS production via reverse electron transport (RET) at site IQ of complex I.
ST:STUDY_SUMMARY                 	Using multiple complementary genetic and pharmacological in vivo models, we
ST:STUDY_SUMMARY                 	demonstrate that RET is critical for maintaining metabolic health. Furthermore,
ST:STUDY_SUMMARY                 	we show that in patients with steatosis, hepatic CoQ biosynthesis is also
ST:STUDY_SUMMARY                 	suppressed, and the CoQH₂/CoQ ratio positively correlates with steatosis
ST:STUDY_SUMMARY                 	grade. Our data identify a highly selective mechanism of pathological mROS
ST:STUDY_SUMMARY                 	production in obesity, which can be targeted to preserve metabolic homeostasis.
ST:INSTITUTE                     	Harvard School of Public Health
ST:DEPARTMENT                    	Molecular Metabolism
ST:LABORATORY                    	Hotamisligil Lab
ST:LAST_NAME                     	de Lima Sales Goncalves
ST:FIRST_NAME                    	Renata
ST:ADDRESS                       	665 Huntington Ave bld 1, room 609
ST:EMAIL                         	rgoncal@hsph.harvard.edu
ST:PHONE                         	4159402482
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	27
ST:NUM_MALES                     	27
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	C57BL-6J
SU:AGE_OR_AGE_RANGE              	10 weeks
SU:GENDER                        	Male
SU:ANIMAL_ANIMAL_SUPPLIER        	The Jackson Lab
SU:ANIMAL_HOUSING                	4 mice per cage HSPH Animal facility
SU:ANIMAL_LIGHT_CYCLE            	12/12 dark/light
SU:ANIMAL_FEED                   	ad libtum
SU:ANIMAL_WATER                  	ad libitum
SU:ANIMAL_INCLUSION_CRITERIA     	wildtype lean and lepOB (ob/ob) obese or LepOB (ob/ob) obese mice expressing
SU:ANIMAL_INCLUSION_CRITERIA     	Ciona intestinalis Alternative oxidase (Aox) or green fluorescent protein (GFP)
SU:ANIMAL_INCLUSION_CRITERIA     	as control.
#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           	Blank	Blank	Sample source:Blank | Genotype:Blank	RAW_FILE_NAME(Raw_File_Name)=Blank.mzXML
SUBJECT_SAMPLE_FACTORS           	20191108_1	20191108_aox	Sample source:liver | Genotype:Aox	RAW_FILE_NAME(Raw_File_Name)=20191108_aox.mzXML
SUBJECT_SAMPLE_FACTORS           	20191108_2	20191108_gfp	Sample source:liver | Genotype:GFP	RAW_FILE_NAME(Raw_File_Name)=20191108_gfp.mzXML
SUBJECT_SAMPLE_FACTORS           	20191110_1	20191110_aox	Sample source:liver | Genotype:Aox	RAW_FILE_NAME(Raw_File_Name)=20191110_aox.mzXML
SUBJECT_SAMPLE_FACTORS           	20191110_2	20191110_gfp	Sample source:liver | Genotype:GFP	RAW_FILE_NAME(Raw_File_Name)=20191110_gfp.mzXML
SUBJECT_SAMPLE_FACTORS           	20191111_1	20191111_aox	Sample source:liver | Genotype:Aox	RAW_FILE_NAME(Raw_File_Name)=20191111_aox.mzXML
SUBJECT_SAMPLE_FACTORS           	20191111_2	20191111_gfp	Sample source:liver | Genotype:GFP	RAW_FILE_NAME(Raw_File_Name)=20191111_gfp.mzXML
SUBJECT_SAMPLE_FACTORS           	20191203_1	20191203_aox	Sample source:liver | Genotype:Aox	RAW_FILE_NAME(Raw_File_Name)=20191203_aox.mzXML
SUBJECT_SAMPLE_FACTORS           	20191203_2	20191203_gfp	Sample source:liver | Genotype:GFP	RAW_FILE_NAME(Raw_File_Name)=20191203_gfp.mzXML
SUBJECT_SAMPLE_FACTORS           	20191204_1	20191204_aox	Sample source:liver | Genotype:Aox	RAW_FILE_NAME(Raw_File_Name)=20191204_aox.mzXML
SUBJECT_SAMPLE_FACTORS           	20191204_2	20191204_gfp	Sample source:liver | Genotype:GFP	RAW_FILE_NAME(Raw_File_Name)=20191204_gfp.mzXML
SUBJECT_SAMPLE_FACTORS           	20200304_1LR	20200304_1LR_aox	Sample source:liver | Genotype:Aox	RAW_FILE_NAME(Raw_File_Name)=20200304_1LR_aox.mzXML
SUBJECT_SAMPLE_FACTORS           	20200304_1L	20200304_1L_gfp	Sample source:liver | Genotype:GFP	RAW_FILE_NAME(Raw_File_Name)=20200304_1L_gfp.mzXML
SUBJECT_SAMPLE_FACTORS           	20200304_1N	20200304_1N_aox	Sample source:liver | Genotype:Aox	RAW_FILE_NAME(Raw_File_Name)=20200304_1N_aox.mzXML
SUBJECT_SAMPLE_FACTORS           	20200304_1R	20200304_1R_gfp	Sample source:liver | Genotype:GFP	RAW_FILE_NAME(Raw_File_Name)=20200304_1R_gfp.mzXML.
SUBJECT_SAMPLE_FACTORS           	20200304_3N	20200304_3N_aox	Sample source:liver | Genotype:Aox	RAW_FILE_NAME(Raw_File_Name)=20200304_3N_aox.mzXML
SUBJECT_SAMPLE_FACTORS           	20200304_5LR	20200304_5LR_aox	Sample source:liver | Genotype:Aox	RAW_FILE_NAME(Raw_File_Name)=20200304_5LR_aox.mzXML
SUBJECT_SAMPLE_FACTORS           	20200304_5R	20200304_5R_aox	Sample source:liver | Genotype:Aox	RAW_FILE_NAME(Raw_File_Name)=20200304_5R_aox.mzXML
SUBJECT_SAMPLE_FACTORS           	20200304_L	20200304_L_gfp	Sample source:liver | Genotype:GFP	RAW_FILE_NAME(Raw_File_Name)=20200304_L_gfp.mzXML
SUBJECT_SAMPLE_FACTORS           	20200304_R	20200304_R_gfp	Sample source:liver | Genotype:GFP	RAW_FILE_NAME(Raw_File_Name)=20200304_R_gfp.mzXML
SUBJECT_SAMPLE_FACTORS           	Lean 01	lean_01	Sample source:liver | Genotype:Lean wildtype	RAW_FILE_NAME(Raw_File_Name)=lean_01.mzXML
SUBJECT_SAMPLE_FACTORS           	Lean 01	lean_01_scanevent2	Sample source:liver | Genotype:Lean wildtype	RAW_FILE_NAME(Raw_File_Name)=lean_01_scanevent2.mzXML
SUBJECT_SAMPLE_FACTORS           	Lean 02	lean_02	Sample source:liver | Genotype:Lean wildtype	RAW_FILE_NAME(Raw_File_Name)=lean_02.mzXML
SUBJECT_SAMPLE_FACTORS           	Lean 02	lean_02_scanevent2	Sample source:liver | Genotype:Lean wildtype	RAW_FILE_NAME(Raw_File_Name)=lean_02_scanevent2.mzXML
SUBJECT_SAMPLE_FACTORS           	Lean 03	lean_03	Sample source:liver | Genotype:Lean wildtype	RAW_FILE_NAME(Raw_File_Name)=lean_03.mzXML
SUBJECT_SAMPLE_FACTORS           	Lean 03	lean_03_scanevent2	Sample source:liver | Genotype:Lean wildtype	RAW_FILE_NAME(Raw_File_Name)=lean_03_scanevent2.mzXML
SUBJECT_SAMPLE_FACTORS           	Lean 04	lean_04	Sample source:liver | Genotype:Lean wildtype	RAW_FILE_NAME(Raw_File_Name)=lean_04.mzXML
SUBJECT_SAMPLE_FACTORS           	Lean 04	lean_04_scanevent2	Sample source:liver | Genotype:Lean wildtype	RAW_FILE_NAME(Raw_File_Name)=lean_04_scanevent2.mzXML
SUBJECT_SAMPLE_FACTORS           	Obese 01	obese_01	Sample source:liver | Genotype:LepOB	RAW_FILE_NAME(Raw_File_Name)=obese_01.mzXML
SUBJECT_SAMPLE_FACTORS           	Obese 01	obese_01_scanevent2	Sample source:liver | Genotype:LepOB	RAW_FILE_NAME(Raw_File_Name)=obese_01_scanevent2.mzXML
SUBJECT_SAMPLE_FACTORS           	Obese 02	obese_02	Sample source:liver | Genotype:LepOB	RAW_FILE_NAME(Raw_File_Name)=obese_02.mzXML
SUBJECT_SAMPLE_FACTORS           	Obese 02	obese_02_scanevent2	Sample source:liver | Genotype:LepOB	RAW_FILE_NAME(Raw_File_Name)=obese_02_scanevent2.mzXML
SUBJECT_SAMPLE_FACTORS           	Obese 03	obese_03	Sample source:liver | Genotype:LepOB	RAW_FILE_NAME(Raw_File_Name)=obese_03.mzXML
SUBJECT_SAMPLE_FACTORS           	Obese 03	obese_03_scanevent2	Sample source:liver | Genotype:LepOB	RAW_FILE_NAME(Raw_File_Name)=obese_03_scanevent2.mzXML
SUBJECT_SAMPLE_FACTORS           	Obese 04	obese_04	Sample source:liver | Genotype:LepOB	RAW_FILE_NAME(Raw_File_Name)=obese_04.mzXML
SUBJECT_SAMPLE_FACTORS           	Obese 04	obese_04_scanevent2	Sample source:liver | Genotype:LepOB	RAW_FILE_NAME(Raw_File_Name)=obese_04_scanevent2.mzXML
#COLLECTION
CO:COLLECTION_SUMMARY            	Livers were extracted under freeze-clamp conditions using a Wollenberger clamp
CO:COLLECTION_SUMMARY            	and immediately frozen.
CO:SAMPLE_TYPE                   	Liver
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Livers from wild-type lean and LepOB (ob/ob) mice were homogenized in liquid
TR:TREATMENT_SUMMARY             	nitrogen using a cold tissuelyzer. To the pulverized tissues, 40% methanol:40%
TR:TREATMENT_SUMMARY             	acetonitrile (25 mg/mL) was added to each tube. The same protocol was used for
TR:TREATMENT_SUMMARY             	liver samples from mice ectopically expressing Ciona intestinalis alternative
TR:TREATMENT_SUMMARY             	oxidase (AOX) or green fluorescent protein (GFP) as a control.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	20-30mg of tissue were weighted in a previously chilled tube at -20oC and
SP:SAMPLEPREP_SUMMARY            	tissuelyser homogenizer beads. Tissues were homogenized in liquid nitrogen using
SP:SAMPLEPREP_SUMMARY            	a cold tissuelyzer. To the pulverized tissues, 40% methanol:40% acetonitrile (25
SP:SAMPLEPREP_SUMMARY            	mg/mL) was added to each tube. Each tube was vortexed for the 10 sec., incubate
SP:SAMPLEPREP_SUMMARY            	for 10 min on ice and centrifuged 10 min at 3000rpm to pellet debris. 600uL of
SP:SAMPLEPREP_SUMMARY            	the supernatant was transferred to a new tube and centrifuged at max speed for
SP:SAMPLEPREP_SUMMARY            	10’. 80uL of the clean extract was added to a fresh vial and analyzed via mass
SP:SAMPLEPREP_SUMMARY            	spec.
SP:PROCESSING_STORAGE_CONDITIONS 	-80℃
SP:EXTRACT_STORAGE               	-20℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	For small polar metabolite separation and data acquisition in extracted tissues,
CH:CHROMATOGRAPHY_SUMMARY        	a Vanquish Horizon (Thermo Fisher Scientific, Waltham, MA) ultra-high liquid
CH:CHROMATOGRAPHY_SUMMARY        	chromatography (LC) system coupled to a Thermo Q Exactive HF Orbitrap mass
CH:CHROMATOGRAPHY_SUMMARY        	spectrometer (MS) was used. For separation, a Waters (Milford, MA) XBridge BEH
CH:CHROMATOGRAPHY_SUMMARY        	Amide (2.5 μm, 2.1x150 mm) column fitted with a VanGuard (2.5 μm, 2.1x5 mm)
CH:CHROMATOGRAPHY_SUMMARY        	guard column was used. The mobile phases were as follows: Phase A: 95% water/5%
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile and Phase B: 20% water/80% acetonitrile with 10 mM ammonium acetate
CH:CHROMATOGRAPHY_SUMMARY        	and 10 mM ammonium hydroxide in both phases. The flow rate was held constant at
CH:CHROMATOGRAPHY_SUMMARY        	0.3 ml/min and the following gradient conditions were used: 0 min, 100% B; 3
CH:CHROMATOGRAPHY_SUMMARY        	min, 100% B; 3.2 min, 90% B; 6.2 min, 90% B; 6.5 min, 80% B; 10.5 min, 80% B;
CH:CHROMATOGRAPHY_SUMMARY        	10.7 min, 70% B; 13.5 min, 70% B; 13.7 min, 45% B; 16 min, 45% B, 16.5 min, 100%
CH:CHROMATOGRAPHY_SUMMARY        	B; and 22 min, 100% B. The samples were kept at 4°C, the injection volume was 5
CH:CHROMATOGRAPHY_SUMMARY        	μl and the column was maintained at 25°C. The separated metabolites were
CH:CHROMATOGRAPHY_SUMMARY        	analyzed in both positive and negative ionization modes in the same run
CH:CHROMATOGRAPHY_SUMMARY        	(switching mode). The mass spectra were acquired using a resolution of 120,000
CH:CHROMATOGRAPHY_SUMMARY        	in the 70 – 1,000 m/z range. The ElectroSpray Ionization source parameters for
CH:CHROMATOGRAPHY_SUMMARY        	both modes were as follows: capillary temperature 300°C, spray voltage 3.5kV,
CH:CHROMATOGRAPHY_SUMMARY        	sheath gas 40 (arbitrary units), auxiliary gas 10 (arbitrary units), probe
CH:CHROMATOGRAPHY_SUMMARY        	heater temperature 30°C and S-Lens RF level 45 v.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Vanquish Horizon
CH:COLUMN_NAME                   	Waters XBridge BEH Amide (150 x 2.1mm, 2.5um) with VanGuard (5 x 2.1mm, 2.5um)
CH:COLUMN_NAME                   	guard column
CH:SOLVENT_A                     	95% water/5% acetonitrile; 10 mM ammonium acetate; 10 mM ammonium hydroxide
CH:SOLVENT_B                     	20% water/80% acetonitrile; 10 mM ammonium acetate; 10 mM ammonium hydroxide
CH:FLOW_GRADIENT                 	0 min, 100% B; 3 min, 100% B; 3.2 min, 90% B; 6.2 min, 90% B; 6.5 min, 80% B;
CH:FLOW_GRADIENT                 	10.5 min, 80% B; 10.7 min, 70% B; 13.5 min, 70% B; 13.7 min, 45% B; 16 min, 45%
CH:FLOW_GRADIENT                 	B, 16.5 min, 100% B; and 22 min, 100% B
CH:FLOW_RATE                     	0.3 mL/min
CH:COLUMN_TEMPERATURE            	25
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Hui lab
AN:OPERATOR_NAME                 	Clement Rosique and Tony Shen Hui
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF-X Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	For small polar metabolite separation and data acquisition in extracted tissues,
MS:MS_COMMENTS                   	a Vanquish Horizon (Thermo Fisher Scientific, Waltham, MA) ultra-high liquid
MS:MS_COMMENTS                   	chromatography (LC) system coupled to a Thermo Q Exactive HF Orbitrap mass
MS:MS_COMMENTS                   	spectrometer (MS) was used. For separation, a Waters (Milford, MA) XBridge BEH
MS:MS_COMMENTS                   	Amide (2.5 μm, 2.1x150 mm) column fitted with a VanGuard (2.5 μm, 2.1x5 mm)
MS:MS_COMMENTS                   	guard column was used. The mobile phases were as follows: Phase A: 95% water/5%
MS:MS_COMMENTS                   	acetonitrile and Phase B: 20% water/80% acetonitrile with 10 mM ammonium acetate
MS:MS_COMMENTS                   	and 10 mM ammonium hydroxide in both phases. The flow rate was held constant at
MS:MS_COMMENTS                   	0.3 ml/min and the following gradient conditions were used: 0 min, 100% B; 3
MS:MS_COMMENTS                   	min, 100% B; 3.2 min, 90% B; 6.2 min, 90% B; 6.5 min, 80% B; 10.5 min, 80% B;
MS:MS_COMMENTS                   	10.7 min, 70% B; 13.5 min, 70% B; 13.7 min, 45% B; 16 min, 45% B, 16.5 min, 100%
MS:MS_COMMENTS                   	B; and 22 min, 100% B. The samples were kept at 4°C, the injection volume was 5
MS:MS_COMMENTS                   	μl and the column was maintained at 25°C. The separated metabolites were
MS:MS_COMMENTS                   	analyzed in both positive and negative ionization modes in the same run
MS:MS_COMMENTS                   	(switching mode). The mass spectra were acquired using a resolution of 120,000
MS:MS_COMMENTS                   	in the 70 – 1,000 m/z range. The ElectroSpray Ionization source parameters for
MS:MS_COMMENTS                   	both modes were as follows: capillary temperature 300°C, spray voltage 3.5kV,
MS:MS_COMMENTS                   	sheath gas 40 (arbitrary units), auxiliary gas 10 (arbitrary units), probe
MS:MS_COMMENTS                   	heater temperature 30°C and S-Lens RF level 45 v. Each single raw data file is
MS:MS_COMMENTS                   	processed into two separate ones each of one polarity mode. In this repository,
MS:MS_COMMENTS                   	the data of each polarity is deposited separately for clarity.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	Blank	20191108_aox	20191108_gfp	20191110_aox	20191110_gfp	20191111_aox	20191111_gfp	20191203_aox	20191203_gfp	20191204_aox	20191204_gfp	20200304_1LR_aox	20200304_1L_gfp	20200304_1N_aox	20200304_1R_gfp	20200304_3N_aox	20200304_5LR_aox	20200304_5R_aox	20200304_L_gfp	20200304_R_gfp	lean_01	lean_02	lean_03	lean_04	obese_01	obese_02	obese_03	obese_04
Factors	Sample source:Blank | Genotype:Blank	Sample source:liver | Genotype:Aox	Sample source:liver | Genotype:GFP	Sample source:liver | Genotype:Aox	Sample source:liver | Genotype:GFP	Sample source:liver | Genotype:Aox	Sample source:liver | Genotype:GFP	Sample source:liver | Genotype:Aox	Sample source:liver | Genotype:GFP	Sample source:liver | Genotype:Aox	Sample source:liver | Genotype:GFP	Sample source:liver | Genotype:Aox	Sample source:liver | Genotype:GFP	Sample source:liver | Genotype:Aox	Sample source:liver | Genotype:GFP	Sample source:liver | Genotype:Aox	Sample source:liver | Genotype:Aox	Sample source:liver | Genotype:Aox	Sample source:liver | Genotype:GFP	Sample source:liver | Genotype:GFP	Sample source:liver | Genotype:Lean wildtype	Sample source:liver | Genotype:Lean wildtype	Sample source:liver | Genotype:Lean wildtype	Sample source:liver | Genotype:Lean wildtype	Sample source:liver | Genotype:LepOB	Sample source:liver | Genotype:LepOB	Sample source:liver | Genotype:LepOB	Sample source:liver | Genotype:LepOB
Glycine	8728.3	2444053	2133344.25	2318160.75	2039459.38	3511956	3162424.75	5112898.5	3408930.75	2473457.25	2644074.75	1840076.88	2179088	1405222	1267948	1366657.88	2275339.75	1690147.62	2105693.75	1864254.5	2120513	2327848	1693591	1369028	1190232	929304.2	785855.1	707305.1
Pyruvate	18543.68	304305.91	143346.78	2330562	1307579.12	644739.75	347515.75	475150.75	210038.58	1867644	1309948	1615886.88	2564569.75	3359772.75	1737709.38	4285425.5	176562.23	3940291.25	904748.69	2753792	125214.7	269228.7	121851	80222.4	128801.2	114508.8	100120.8	64345.11
Alanine	6745.32	37940164	25952160	48314060	41245500	25578794	29738842	24645566	18525590	20439554	18065898	11643409	9564279	6962015.5	6683134.5	10484113	1707310.62	10608215	8336866	7191419.5	2780714	16330650	4476891	4428260	2070944	1740680	9519323	2466503
Lactate	77537.25	565505088	515979360	811602176	587719232	701347136	653606336	403889408	435566240	442705504	498399616	211364432	166793136	121004120	77581080	186020016	31903680	153266752	135050752	87768360	35327390	52841780	17644750	31098230	31220730	24209820	51587810	42408460
4-Aminobutyrate (GABA)	3215.62	2528977.75	1614199.12	1100866.88	687432.38	2980989.25	3665813	2155011.75	2219118	1714288.38	2303769.25	1045748.19	1062866.38	994989.19	1250168.88	1215206.62	900707.44	664856.38	1284472.38	1373752.88	NA	NA	NA	NA	NA	NA	NA	NA
3-Aminoisobutyrate	4551.3	1393050.25	1922640	3407611.25	2130903.25	786952.25	1198012	3632251	1590293.38	1370257.62	1657704	24130.44	16108.5	10508.41	22601.7	39856.91	12370.71	27520.73	34355.8	20274.08	NA	NA	NA	NA	NA	NA	NA	NA
3-Hydroxybutyric acid	23257.52	9767199	10863323	7101214	8372305.5	7887175.5	13237556	7083378	11490216	40204344	34628876	11012885	8428775	7339366	8438953	7412191.5	32428232	8385751.5	9692437	17913606	594836.9	570880.1	542123	503806.8	895988.8	995508.3	1084835	1734727
Serine	12616.86	1228872.25	1180299.12	656332.31	474719.88	1300736.75	1364567.12	1563612.88	925095.81	1296758.5	1183059.38	1462419.38	1879269.38	1178463.12	1401717	1108533.62	1389411.88	1287622.75	1764690	1406971	2368335	1564828	2855556	2914445	1227796	1556301	774809.2	998803.9
Glycerate	46258.4	60914108	43004932	111812680	130444608	63551204	56539764	45771212	22677128	94569920	78329656	1145758	610319.62	580585.81	441441.5	690582.56	410624.75	903656.31	656435.81	781322.5	NA	NA	NA	NA	NA	NA	NA	NA
Hypotaurine	0	4718.54	0	636718.75	638170.5	0	0	313607.09	1572451.12	0	0	511891.84	633907.69	515631.12	295493.25	581634.94	428583.28	294638.66	482550	402133.28	718368.4	944402	428730.8	357106	348790.1	285153.7	314192.6	176985.5
Pyrrole-2-carboxylic acid	4422.73	214190.27	191877.67	280402.16	268255.38	249200.2	306693.28	141842.11	108265.66	104734.09	227226.02	0	0	0	10245.77	0	6180.24	8634.22	0	0	NA	NA	NA	NA	NA	NA	NA	NA
Uracil	9091.07	3642640	3329706.75	5868773.5	6359064	8809991	7702148.5	4226033	3239612	11198388	16822602	124743.71	69680.7	90755.73	33036.27	118928.56	50509.73	60956.02	66802.93	54157.36	29618.83	28050.08	16810.25	28255.95	20327.75	18148.88	25339.59	16195.2
Creatinine	0	46022.38	34261.91	68579.15	35082.55	61300.43	64370.04	55247.78	57640.25	491653.66	227039.62	29721.68	39458.66	42664.22	26403.78	40145.06	20570.51	21042.69	39035.81	48233.12	NA	NA	NA	NA	NA	NA	NA	NA
Proline	0	1441109.38	892449.31	1414227.5	837315	1230746.88	1380872.88	1499720.12	1222623.38	3068910.25	1406743.62	621004.69	547898	325741.56	452347.16	390335.75	244301.92	492580.75	541459.94	302780.81	1122316	2015774	666004.9	830878.5	662804.9	417974.2	663190.6	620752.3
Caproic acid	164209.58	1016383.19	909462.81	2269756.25	1997175.12	1462088.38	1264502.12	607612.56	753977.81	1393997.62	1403814.38	213715	237827.67	331180.94	205989.95	251506.83	334321.91	356920	237410.14	234766.12	176047.1	179946.9	164918.8	161314.7	246237.1	148057	151369.8	142698.7
N-Acetylglycine	11993.86	309565.5	271959.41	497498.66	363603.97	412294.16	360620.09	562707.94	265094.69	1143880.88	1144650.5	169755.8	122221.19	97392.12	141728.42	114300.4	465213.91	145665.83	127538.81	181359.89	354327.6	323534.8	450137.7	242038	103047.8	108966.1	92675.19	62909.71
Guanidineacetic acid	0	17359.95	10502.03	16821.1	12601.25	51362.56	15862.6	50311.97	27746.09	9487.2	16910.21	8344.07	18906.05	7130.16	14187.59	13118.17	15198.58	0	12382.63	10142.68	NA	NA	NA	NA	NA	NA	NA	NA
Valine	14706.09	7926243.5	5649858.5	7505680	7293165.5	6819453.5	5878104.5	9478691	8664889	14007683	19152454	3907297.75	5487212	3671283.75	3055569.25	2715498.25	5993096.5	4414317.5	4270877.5	4309523.5	2747033	2867996	1659551	1980096	2409046	2573323	1731618	3475828
Succinic acid	3226482	199380400	159360000	291157120	296843136	168816080	171735824	190057728	170285824	141721360	135905024	83309696	62271440	64587924	56247212	76587840	63073568	58769844	70422952	79640376	18512500	26016440	13133590	12467360	6937086	4970258	13725420	8983507
Threonine	6717.9	889127.31	1013506.94	855824.5	639659.69	993077.31	939310.94	936797.44	881212.31	1253616.5	1374703.38	780660	1165248.38	491869	566322.31	557533.31	558400.81	771042.75	809513	680573.44	1697963	1041479	471796	853408.5	996463	737995	569165.1	488620.3
Nicotinamide	19849.17	2615320.25	2476392.25	3020257.25	2706675	2633424.25	2876481.75	2974818.75	1359726.75	4450002.5	4497808.5	1050403.38	1473512	127484.63	562789.19	844177.75	197445.52	754944.19	678932	239680.45	NA	NA	NA	NA	NA	NA	NA	NA
Nicotinic acid	6573.64	1199994.12	986226.5	578931.38	316065.97	709847.31	886672.81	856438.19	211955.89	989704.5	1180451.62	6965.38	7620.04	0	0	0	9025.36	0	9552.45	0	NA	NA	NA	NA	NA	NA	NA	NA
Taurine	0	150196016	123681800	137845136	111500160	162610928	140905168	144388144	145147984	176788960	192383280	150736816	126837568	127418592	97905024	130351048	138662032	130142400	95521312	113467904	46336140	48233580	55733250	29142220	63898810	64378460	47418180	51253230
Creatine	0	616766.19	579538.19	1024032.56	710249	1703551	1552709	993453.69	1172076.38	2857913.25	3740097	705371.44	582280.56	620929.56	622626.44	920554.56	662812.75	595281.56	804728.69	549594.06	NA	NA	NA	NA	NA	NA	NA	NA
Leucine	54185.62	6911758.5	44588.04	6739908	7050801.5	6419183.5	7672710.5	10768325	9567416	7926211.5	7251782	4164950	5404713.5	4490456.5	2962970.75	4436172	6160027.5	5668460	5519284	4265336	4518756	4650778	2598545	3637666	2916394	3656444	2748046	3295762
Isoleucine	53441.92	7285042.5	5528148.5	8173136	5426539.5	6155968	5402208	7946129.5	6572233.5	5841331.5	6139830.5	4035944.75	4934936.5	3352434.25	2423707.5	2154492.5	4385318	3587320.25	3389315.75	3837207.75	3180344	3236357	1786601	2497996	2626757	2911443	2124273	2606298
Aspartate	8165.34	435550.66	119222.38	228186.42	156686.73	673295.75	732710.5	748847.25	335406.84	1961153.5	886251.31	2039732	2515025.25	931502.19	4196581.5	1362380.88	950180.81	1829371.88	2391303.25	2179227	1578694	1851318	2786283	1156892	766035	1923934	580563.8	795920.2
Malate	42509.41	102904776	72756656	101787040	41859552	126778528	173877232	116525216	45783212	128537216	207617552	84474024	123809120	46614112	108140728	82808984	74597224	104269272	128502080	93885512	28889970	24697050	31741560	14932410	30458460	55572910	9414794	31019700
Adenine	0	713531.19	317043.31	996648.81	892519.31	724054.06	865328.06	410492.47	289531.09	270094.75	381905.16	286990.31	146281.97	222915.83	142069.09	162342.36	184833.23	129025.04	148343.33	99304.19	343884.8	388969	263532.2	249188.7	201048.7	126206.3	180172	140734
Hypoxanthine	0	2190307.25	536669.94	2229635.25	2251632.25	2724275	3180758.75	319104.5	172811.94	5587996	5653918	212895.94	61603.18	18331.37	68246.74	22165.48	39088.57	33741.45	19667.5	10096.43	195296.3	124989.4	74655.3	367403.2	45381.49	12201	51734.56	73690.41
Urocanate	17960.29	4664804	4352801.5	7763906.5	8742137	2407835.5	2988704	9909002	2710092	3628704.75	3188441.25	51671.53	24732.47	19676.11	20945.81	60664.17	40447.7	33778.17	81862.72	39455.91	76631.84	22355.9	16739.82	10826.48	8210.78	59545.82	11453.18	61516.21
O-Phosphorylethanolamine	0	74668.24	81858.7	252637.69	152218.52	226155.61	145598.27	254053.25	150652.05	201386.86	386434.78	1934089.38	1537670.88	1060166.62	1560285.88	1821285.12	1724412.62	1609550.12	1481248.38	1668145	NA	NA	NA	NA	NA	NA	NA	NA
4-Guanidinobutyrate	0	144651.94	62855.97	299491.22	173190.92	260962.17	342475	294770.16	264674.72	10121.67	36951.5	118718.7	95144.95	67188.62	110713.65	143836.56	78937.64	76535.78	86694.45	85633.55	13397.22	20203.01	4526.326	1430.02	42148.1	34173.69	30732.83	49953.22
Alpha-Ketoglutarate	61811.38	59416.08	22796.89	241400.05	187378.95	107612.23	63029.61	87139.87	42131.69	167774.84	71961.77	2930799.75	4397260.5	5912874.5	5353397.5	4338533.5	2467387.75	3348431	2363959.25	7731072.5	NA	NA	NA	NA	NA	NA	NA	NA
Glutamine	10270.13	15008404	3403866.75	6615793.5	2139624	37338700	23815798	12223477	892991.81	17404662	25575790	110582536	101935488	77958520	85066800	92493160	69895240	74661104	87536560	91892160	39156720	38139530	37113500	27403530	52905990	46186420	31823430	30247670
Glutamate	11931.98	98540096	64603060	46853276	28756502	114001608	140363888	85524352	89534784	68811888	89986072	44990368	45424692	40161340	53838252	51101940	35143880	30015622	55425052	54503264	28043430	16185640	22932200	19293400	16626130	24498140	8383316	15280800
Xanthine	0	18707638	7533076	15434069	13695019	27300338	28070918	7577884.5	13197651	22240908	17792772	1935768.88	1067088.25	198369.56	600940.75	788697.69	295226.94	374063.75	381127.47	91081.75	1735090	1039436	533487.8	3288382	464045.2	159977	716608.2	1123537
Dihydroorotic acid	39993.57	8211434.5	7848593.5	9749172	11146322	10136379	10843238	8543864	5375083	9883729	13083772	9196595	11127609	7585013.5	4785081	7485616.5	10486616	11474183	11490997	11378595	771.278	7601.932	0	1377.589	4669.343	3986.662	5978.6	4056.447
Allantoin	0	15877213	12385573	22364968	16658791	15380677	16801186	14087788	10405647	42851664	29517810	3451491.75	3864195.25	3229026.75	3057403.25	3846570.75	2716210	2690025.25	3314982.25	2811348.25	2678211	2608587	2251904	2067410	2800004	3124171	2449330	3263681
2-Aminoadipic acid	4698.38	952981.69	1128173.5	1353873.5	612074.44	663820.94	713010.81	1414825.5	2518205	933706.5	420308.34	418952.5	603592	362068.47	490551.25	397569.38	267431.72	188552.33	656309.38	453885.41	NA	NA	NA	NA	NA	NA	NA	NA
Carnitine	0	91092.66	54455.17	151398.38	102928.52	253836.02	212393.94	100913.03	11880.93	176034.2	218681.95	0	0	0	0	0	0	0	0	0	NA	NA	NA	NA	NA	NA	NA	NA
Phenylalanine	0	2642572.25	1645667.12	3617623.75	2107522	3425162.75	3483232.75	2254258.5	2442205.5	1647572.5	2028082.62	573814.56	619399.44	956495.56	619134.81	983538.06	1151223.88	809648.31	964831.25	754550.44	1606072	1872116	1003252	1318790	1350357	1289338	1183287	1241645
3-(2-Hydroxyphenyl)propionate	18647.16	2323150.5	2373650.75	12397125	8072264.5	1634354.88	1692329.38	1950419.38	1437503.5	1021014	703884.25	61708.98	91125.96	62587.36	63249.06	84798.9	78439.35	76382.98	89036.9	40767.17	NA	NA	NA	NA	NA	NA	NA	NA
Phosphoenolpyruvate	0	20694.81	15340.21	71329.13	61286.64	18752.91	37072.31	17750.26	0	427368.16	586065.25	15165	16278.16	9896.3	9965.48	5574.48	5670.89	34357.36	13689.83	9136.01	9896.636	30338.86	25600.47	8242.45	1222.566	4059.519	3642.479	3164.87
Glycerol 3-phosphate	0	798423.81	454227.16	512158.66	392740.41	940585.69	721824.19	520844.25	514547.25	2621298.25	3174519.25	8753875	6966409.5	2845859	1443858	2322411.25	2829962.25	2299444.75	4363993.5	1982171.38	21667260	21825580	10124090	7048376	3562754	3274260	6924458	6099504
trans-Aconitate	9927.33	447830.97	270783.97	926225.19	685392.44	748412.19	1019534.5	374724.78	336375.28	5309921.5	4105163.25	1896204.62	3204488.75	1450478.5	2916534.25	1462016.62	4195364.5	2466125.75	2785607.25	4985313.5	NA	NA	NA	NA	NA	NA	NA	NA
Citrulline	0	38077.57	30305.47	130408.6	36785.45	123373.03	69545.25	125750.85	84274.14	281222.16	148157.81	110305.98	126494.85	55753.41	135519.61	75644.21	190327.45	127447.2	70207.81	75267.78	527937.2	182659.2	151050.1	138738.6	364042.6	513667.2	134657.2	156916.7
Glucosamine	0	99947.37	88782.69	192424.33	225570.73	164324.83	313680.34	0	0	25198.09	61799.29	0	0	0	0	0	0	0	0	0	NA	NA	NA	NA	NA	NA	NA	NA
Glucose	5665.42	128398920	117519512	116847800	119755816	73113512	107498696	86485696	95266200	65683572	43601432	46201844	43537112	40219884	27149472	43865524	64662432	55386980	64487940	62813648	19213240	24946050	13758140	11383920	20496280	18507860	19077230	17747450
Theophylline (1 3-Dimethylxanthine)	0	9993957	8975737	15746137	11201768	13383933	13051136	6134934.5	6951231.5	7270766.5	8176342.5	2169393.25	1425068.62	726925.75	279512.41	1570577.62	37870.63	1111658.62	854117.31	360739.28	NA	NA	NA	NA	NA	NA	NA	NA
Hydroxyphenyllactate	4375.99	810813.69	940346.5	2563656.75	1751096	569270.69	577478.94	706326	1060569.12	960502	427611.75	58754.11	30233.12	35299.16	15029.15	27280.79	17182.82	14407.68	67187.22	43526.71	181293	120595.2	46096.88	107605.8	131237.9	111223.8	143828	117874.9
Sorbitol	0	7419641.5	4251591.5	1011779.31	1361960.5	3569727.75	6057760.5	3072525	2791403.25	2706766.75	2673183.75	4292923.5	102058.88	114432.02	65969.35	81732.11	209972.36	136836.67	195591.94	163933.23	266472.7	151572.4	136047.3	286675.6	198627	237625.4	228582	255951.1
N-Acetyl-glutamate	0	1913502.62	1880647.88	6143238.5	4096286.25	3071005.25	3534380.25	2387685.75	3489928	6006360	2966635.25	765029	1497416.62	977823	1707641.38	1430768	624328.94	1732852.88	1456493	908709.94	NA	NA	NA	NA	NA	NA	NA	NA
Citrate	8747.06	63082.36	22936.58	190557.45	53269.72	104623.38	34639.81	39895.55	31297.45	1270334.12	1459930.88	50789	113657.54	36892.91	91551.43	189802.33	302448.22	56893.04	113442.87	208854.06	NA	NA	NA	NA	NA	NA	NA	NA
Glucuronic acid	0	4082063.25	3781746.75	4087105.25	4092494	4465859	5290566.5	2328155.25	2851548.25	1258928	2571999.25	738480.31	932410.19	715447.81	685229.31	922602.81	240264.17	726596.5	920252.5	1001694.81	10655840	4492120	8586981	6976234	10842200	9917380	4440730	4425338
O-Acetyl-L-carnitine	0	5853.28	6918.98	0	0	0	6807.55	0	0	0	0	173415.12	119193.59	101546.38	125168.16	191005.02	210112.7	126318.66	161383.5	97264.96	NA	NA	NA	NA	NA	NA	NA	NA
Tryptophan	5082.91	776540.44	542869.5	1171339.38	599612.56	997897.19	1052347.38	745516.5	667217.75	403552.16	530522.5	434004.34	426526.59	296818.16	286429.88	386880.09	258670.5	218409.88	338261.62	292048.66	601661.4	496125.2	383383.9	357349.3	431273.3	403292.5	527159.1	344529.7
2-methylcitrate	4361.72	342749.25	33149.38	954750	453921.22	663360.75	330566	207282.02	12166.84	496394.34	717477.69	48221.32	26167.85	17746.9	23377.7	41444.73	22940.48	26308.63	26655.26	19452.35	NA	NA	NA	NA	NA	NA	NA	NA
Glucaric Acid	0	332910.81	123445.44	654362.81	560240.69	475212.75	442228.41	355546.72	148721.5	1079186.12	868203.19	13030.59	6703.54	10421.2	6276.64	10623.09	5812.42	7967.92	11065.25	11697.02	NA	NA	NA	NA	NA	NA	NA	NA
Sedoheptulose	0	1337285.25	1226626.12	1660628.38	1078965.5	1539626.88	2449864.75	712811.5	325155.53	1748437.88	2119851.75	9086.67	0	0	15260.06	9978.56	9902.16	12689.62	46523.97	8408.87	31599.31	12922.92	13919.73	31441.12	13756.55	15408.38	19795.07	14594.77
Creatine phosphate	0	6260.35	4743.55	40728.73	31116.11	23554.59	10909.92	15901.36	14612.79	15941	61705.28	140393.94	101473.29	82843.35	134062.86	128038.56	379179.47	129666.04	111625.94	105603.57	106994.8	94481.27	95052.19	29416.76	26536.2	61814.14	28107.38	91746.19
Pantothenate	0	6190518.5	2110428	3722237.75	2947765.25	6871664.5	6943706	3875071.25	3284856.75	8751130	8469516	260841.25	302923.91	135961.12	191460.92	246772.33	655450	222574.12	237124.7	196698.55	347157.4	296281.8	225019.7	237636.5	444612.5	311855.1	213630.5	382272.9
2-Deoxyuridine	0	51942.82	35161.5	71632.53	33354.85	92523.55	98966.15	124551.4	110589.41	123946.34	171031.88	31582.55	40848.18	24151.2	31794.33	41747.42	16838.77	26306.88	37464.42	23159.37	183406.2	137421	156633.3	115580	115571.2	45326.27	50745.03	39569.48
Ribulose-5-phosphate	0	5284072.5	2776748.75	3936184.75	3659916	5212661.5	4397973.5	3165454.75	1189511.62	10159763	11026022	436004.16	227528.94	253960.95	117100.91	292432.16	239181.27	208977.88	211921.3	184517.42	NA	NA	NA	NA	NA	NA	NA	NA
Uridine	0	15357695	11569259	17161770	14056925	15077151	18573972	9054107	8148110.5	7893701.5	16730905	322801.34	153164.95	109119.34	143702.67	193977.2	53685.76	64301.03	87734.12	89823.99	598400.2	528434.2	264942.5	574800.6	284502.4	346575.9	480130.6	259874.4
Glucose 6-phosphate	0	1347619.38	1449216.38	3103657	3714525	5093477	4338385.5	1110744.5	1254360.88	2811455	3146267.25	61364.25	32871.95	13095.53	32057.93	25837.47	14172.57	23306.23	20333.31	26270.5	6046974	6909174	3970325	1639691	863324.3	781606.1	2544616	1402725
Glucose 1-phosphate	4321.79	796087.69	482120.78	424661.34	545312.06	538073.44	378761.66	489262.25	205591.05	2855805	3004744.75	5325295.5	3832000.25	3337706.25	2461350.25	2550475	2415026.75	2988497.25	2420125.75	4162251.25	1449259	1809166	839404.2	506247.5	214419.4	147329.2	465815.8	235777.3
Fructose 6-phosphate	0	1507355	638791.62	918232.19	1392179	2172957.75	1632852	777314.44	436151.38	4429371.5	4411765.5	1181385.75	795025.19	726709.06	519011.84	523075.84	626082.5	590145.69	591668.12	1118575.62	1573824	1779004	836131.5	575027.3	236538.1	189419	395280.6	352997
Adenosine	0	147641.58	105875.72	254788.58	136019.38	78655.95	136989.78	99334.48	47772.92	6971.25	9679.92	48773.58	16466.08	23940.53	19230.16	24440.72	9231.35	10551.2	0	8556.22	NA	NA	NA	NA	NA	NA	NA	NA
Inosine	0	15728643	9435389	23674016	13503039	18955432	23663154	9055417	3581544	19286128	31080400	264583.41	139695.7	49913.78	91071.48	144421.89	49641.96	54303.69	80842.52	47861.3	338538.7	249833.2	134425	379587.4	125045.6	61301.68	142626.2	340826.8
Guanosine	0	1265587.88	883367.31	2232413.75	1220447.5	1458960.12	1436284.62	558787.19	222816.8	792031.69	1870342	17381.08	38082.55	9273.48	21821.47	34647.58	41967.39	14878.63	25121.19	17085.69	34251.09	26976.69	24821.44	34027.75	18539.62	20633.93	14556.42	24016.29
Xanthosine	0	1346573.88	866869.5	1836480	1142890.38	602851.75	304833.28	1009007.25	382664.59	2028232.88	1331422.38	11037.69	0	0	0	0	0	0	0	0	12921.98	29201.56	2503.306	7781.545	3454.875	5504.971	16274.9	58511.31
Ophthalmate	0	66866.58	104356.23	98153.69	74000.43	233956.86	356601.41	94777.96	117398.69	55343.43	701685.44	91695.23	80294.31	135989.19	192557.14	233969.8	54459.72	231303.38	160984.05	172690.48	NA	NA	NA	NA	NA	NA	NA	NA
Glutathione	0	0	0	0	0	0	0	0	4723.41	0	0	1048846.12	3752654.75	551312.5	3457899	64408.41	1204339.12	2577769	3601506.75	3342746	NA	NA	NA	NA	NA	NA	NA	NA
Geranyl pyrophosphate	0	17468.08	11748.74	3851.32	5401.09	11857.19	17224.69	8453.65	7763.17	7339.21	7402.55	25122.71	11488.22	21323.35	18267.83	20419.35	21197.71	16011.33	10723.14	14922.19	NA	NA	NA	NA	NA	NA	NA	NA
CMP	0	542890.88	397733.78	631738.12	662843.19	691970.5	600819.62	525670.31	338178.84	104546.22	349390.66	204586.42	139578.7	105504.34	85951.68	221934.7	53274.47	124299.66	122013.32	120400.34	NA	NA	NA	NA	NA	NA	NA	NA
UMP	0	4324834.5	3407473.25	3235623.75	3078722	4571798	5527088.5	3719627.25	2389720.25	1222992.12	2897278.75	1732093.12	1604491	1257200.88	664662.81	2878790.75	672652.75	1324613.38	1185981.5	1095840.5	NA	NA	NA	NA	NA	NA	NA	NA
Retinyl acetate	6362.62	583019648	517100000	673161024	628862016	466997408	534979168	453976480	477295072	685758080	560605760	17429576	11472308	6186489.5	8872797	16968686	8031746.5	12952531	12421763	12208452	4991810	2002214	3952323	14968850	3448324	4780744	3897921	2959529
Trehalose	0	175896784	1044573	287576544	101084704	306346.16	2768983.25	78769440	35952732	957999	197486.8	28934.24	14432.93	16826	31149.75	44308.64	31407.5	34792.18	32255.91	34053.55	801587.2	1178420	18007300	1029766	1522648	1539816	1021057	122404.4
AMP	3532.07	17892590	13926389	16510333	14159887	17727482	15002552	14164048	8766261	4718962.5	8283388	5686414.5	4548671.5	3661295.25	2685289.25	4274468	2397791.75	3210610.75	3766739.75	3844144.25	NA	NA	NA	NA	NA	NA	NA	NA
IMP	0	456459.84	253980.7	182732.58	86726.98	394036.34	390597.66	877489.81	213235.27	164989.53	125512.44	448797.84	161954.05	496665.97	70178.62	564369.94	124573.56	110580.31	134916.66	143525.67	1626470	1730906	702764.2	851582.8	151757.3	139666.6	458759.7	534985.2
GMP	0	2111854.5	1081963.12	1719913.5	1796109.38	2638711.25	1976158	1508342	519331.16	2078438.62	2531299.75	375587.84	164109.28	170794.19	100997.79	388089.78	93552.38	240266.44	171092.75	175451.88	1087190	452766.1	405301.3	2585673	273740.2	453634.1	189063.8	214595.9
ADP	3192.81	137993.19	199581.8	315254.12	405728.84	265342.12	169965.02	514463.41	381800.78	10807.75	84764.15	276736.12	178388.08	127767.09	224129.33	251267.52	153749.11	237037.95	246115.95	172371.08	NA	NA	NA	NA	NA	NA	NA	NA
CDP-ethanolamine	0	75033.19	97447.21	60838.12	45383.71	73096.85	58425.25	249387.25	138199	12699.38	35529.41	47422.99	71962.93	86511.1	20632.25	37772.75	33175.39	42088.56	44896.47	31567.05	947804.8	661129.1	576328.5	455244.1	150124.6	114622.1	113115.2	123575
UDP-Glucose	0	359026.34	358762.41	555650.81	402041.5	582938.56	455692.91	800677.75	512167.5	37061.92	226907.67	927288	744732.94	412849	769162.75	1051510.88	690210.06	824022.31	734551.5	768303	NA	NA	NA	NA	NA	NA	NA	NA
UDP-glucuronate	0	5135.36	11837.57	11081.57	14639.6	5254.62	5929.35	28774.96	31676.4	0	0	37264.34	21924.15	33290.64	39777.76	53883.57	60587.36	57053.52	51320.21	64319.85	NA	NA	NA	NA	NA	NA	NA	NA
UDP-N-acetylglucosamine	0	288773.16	235206.95	412971.22	236759.05	431614.78	399801.16	250082.2	244500.8	211201	353115.91	406309.09	335821	362239.53	314675.53	583855	392994.47	359956.5	361196.88	385804.16	NA	NA	NA	NA	NA	NA	NA	NA
NAD	0	958951.56	777203	1085099	1337688.5	885839.25	945511.19	723091.31	816219.81	298753.28	341193.16	1760094.12	1455035	2056404.38	1522143.5	2081190.62	2292449.25	2030375	2008124.88	2055747.5	6511900	3610447	3940977	1529594	4214668	3174344	2848233	2354177
NADH	0	13379.63	19801.29	0	0	11676.36	24613.41	65492.39	86160.34	0	0	28044.39	13212.51	63084.82	49728.5	28010.78	48402.5	38818.88	100642.91	38069.63	114116.1	206453.9	128020.8	60434.75	75466.13	258626.9	97807.43	213055.2
Acetoacetate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	39054.21	24224.21	30910.29	25212.08	60415.19	104453.4	33932.56	36330.29
3-Aminobutyrate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	106147.7	145522.6	152406.1	99739.9	52544.39	35200.12	40933.2	40020.65
2-Hydroxybutyrate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	516520	566962.1	279027	284264.5	411474.1	298267.2	349085.2	254049.1
Fumarate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	537691.5	796327.7	1322120	321035.4	914011.8	1140300	307809	997165.7
Trimethylglycine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	9634.009	9876.121	8496.146	14024.99	2626.827	4539.715	6398.876	4212.105
5-Aminovalerate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	11872.65	28946.99	11912.69	8136.879	8158.402	18525.15	8181.616	13474.04
Thymine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	117922.2	111590.6	99617.03	125911.4	85271.66	32897.68	45106.94	38403.55
Pyroglutamate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1449874	1026634	1352462	1955593	1125485	1331628	855447.1	1007277
N-Acetyl-L-alanine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	136521.2	136775.2	97847.38	124250.4	103503.4	84287.55	72661.7	55455.39
trans-4-Hydroxy-L-proline	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	283286.8	470225.1	414394.9	247978.1	159560.5	78329	72159.63	65487.36
Asparagine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	514710.7	507283	307899.3	329356.2	258564.8	328375.1	339410.3	317287.5
Lysine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1412561	1257539	920068.6	1075006	770486	465213.7	519912	508218.4
O-Acetyl-L-serine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	317316.7	313736.8	304077.2	222996.8	91755.44	68848.34	47194.8	49107.47
N-Acetyl-serine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1347050	1485048	1616760	1155917	935434.1	707362.6	461975.8	285463
Citramalate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1933278	1943329	1217994	1256791	1133169	1607596	1965585	1373123
Methionine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	320557.4	429384.3	354467.6	307047.5	200323.4	174440.1	116348.3	149934.8
Ribitol	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	484065.9	336241.1	522458.8	316166.7	391005.9	323493.2	306807.3	320799.7
Orotate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	28762.62	22352.32	21463.95	20250.03	44484.31	25070.49	21187.12	24299.71
Aminoadipate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	253333.2	678745.8	271237.8	303550.5	67497.59	163841	89500.75	91397.25
Fucose	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	454038.8	300167.7	315177.1	219310.7	50208.32	35787.85	26770.18	12626.84
Dihydroxyacetone phosphate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	162797.6	89250.1	50173.57	62198.49	36862.81	51024.98	58590.75	38981.76
N-Acetyl-Leucine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	484033.2	528782.2	203063.2	241818.5	230203.1	206485.9	135636.8	153381.1
Arginine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	47381.5	42156.56	22846.87	17532.37	27009.23	8035.342	20528.94	10889.46
N-Acetyl-aspartate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	101185.7	91096.38	83988.23	57188.41	46603	57463.95	32870.24	52804.83
Hippuric acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	49076.88	6627.578	5690.508	4446.673	9098.105	18021.28	6347.497	19750.11
Tyrosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	568185.3	805745.2	416053.2	465076.3	257695.1	355044.2	403236.5	305674.2
Phosphocholine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	62397.02	40108	14500.73	25364.96	18456.98	34330.46	28821.87	57749.08
2-Phosphoglycerate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	43527.61	126196.9	85602.47	38087.84	6756.961	26075.67	12996.85	14647.77
Gluconate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	44032290	47886030	37826180	43264320	44573890	31852480	22985630	16702200
N-Acetyl-L-phenylalanine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	84358.49	72572.02	46174.25	45336.37	30000.12	29329.74	27692.67	32148.17
Carnosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	44232.34	22674.27	21988.56	13056.22	2001.429	4407.853	1500.276	3533.34
Ribose 5-phosphate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1338509	1434916	613304.4	945000.4	408770.5	430549	744138.7	1534673
Thymidine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	244449.1	230830.6	204939.5	196846.5	170196.6	55307.68	82915.17	67544.26
Cytidine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	70664.29	77918.49	52398.98	44756.7	24154.47	19915.63	28646.85	32259.85
Glycerophosphocholine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	173246.8	73535.09	155428.8	139747.5	65624.76	66483.34	35277.27	42815.82
Thiamine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	19602.71	35989.44	11196.66	31149.76	20063.01	5748.711	21837.94	14411.36
Argininosuccinate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	42372.29	22919.73	20379.48	46769.68	40494.47	125082.4	5170.771	48418.61
Methylthioadenosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	18957.78	10980.21	11812.04	13727.16	13275.01	9963.545	15852.71	15223.95
cytidine 5'-monophosphate (CMP)	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	423906.4	278253.4	235326.3	609649	164198.9	219487.3	114170.2	151140.3
dGMP	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	8918937	5425594	5642520	6607200	1635672	1993371	2864911	1792137
UDP	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	138204.1	195714.9	136229.1	16655.73	68249.8	157670	146367.9	103537.8
dGDP	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	2024187	1695802	1199840	1108483	943152.4	1298147	840085.9	1257757
Raffinose	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	26164.93	2071.439	6264.117	9862.609	33048.11	25773.12	24456.96	26559.58
UDP-Galactose	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	3216382	2289274	1954066	1037725	1956099	2339278	1272599	1710612
UDP-N-acetylgalactosamine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	6848494	5287000	4005840	1937953	2811222	1979079	1435857	1062151
Glutathione disulfide	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	949032.7	802426	625440.5	345724.3	609261.1	930742.2	614998.6	448731.7
NAD+	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	6511900	3610447	3940977	1529594	4214668	3174344	2848233	2354177
NADP	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	69905.24	41557.84	38647.71	39802.79	44422.72	43613.67	32306.26	42848.91
4-Hydroxybenzoic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	9548.856	12299.18	8141.307	8157.667	7996.334	4792.629	9620.171	12541.45
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention time (min)	m/z	HMDB	PubChem	ChEBI	KEGG	METLIN
Glycine	6.7	74.024204	HMDB0000123	750	15428	C00037	20
Pyruvate	2.2	87.00822	HMDB0000243	1060	32816	C00022	117
Alanine	6.2	88.039854	HMDB0000161	5950	16977	C00041
Lactate	3.3	89.02387	HMDB0000190	107689	422	C00186	5205
4-Aminobutyrate (GABA)	8.2	102.055504	HMDB0000112
3-Aminoisobutyrate	7	102.055504	HMDB0003911	64956	27389	C05145	5472
3-Hydroxybutyric acid	3.3	103.03952	HMDB0000357	441	20067	C01089	125
Serine	7.3	104.034769	HMDB0062263	5951	17822	C00716	5203
Glycerate	4	105.018785	HMDB0000139	439194	32398	C00258	280
Hypotaurine	6.1	108.011926	HMDB0000965	107812	16668	C00519	281
Pyrrole-2-carboxylic acid	2.5	110.024204	HMDB0004230	12473	36751	C05942	3787
Uracil	2	111.019453	HMDB0000300	1174	17568	C00106	258
Creatinine	2.6	112.051087	HMDB0000562	588	16737	C00791	8
Proline	5.5	114.055504	HMDB0000162	145742	17203	C00148	29
Caproic acid	1.9	115.075905	HMDB0000535	8892	30776	C01585	5520
N-Acetylglycine	3.8	116.034769	HMDB0000532	10972	40410		5517
Guanidineacetic acid	6.3	116.046002	HMDB0000128	763	16344	C00581	5163
Valine	5.2	116.071154	HMDB0000883	6287	16414	C00183	5842
Succinic acid	7.6	117.018785	HMDB0000254	1110	15741	C00042	114
Threonine	6.6	118.050419	HMDB0000167	6288	16857	C00188	32
Nicotinamide	1.8	121.040188	HMDB0001406	936	17154	C00153	1497
Nicotinic acid	2.7	122.024204	HMDB0001488	938	15940	C00253	6272
Taurine	4.8	124.006841	HMDB0000251	1123	15891	C00245	31
Creatine	6.2	130.061652	HMDB0000271	1088	15611	C00213	51
Leucine	3.7	130.086804	HMDB0000687	6106	15603	C00123	24
Isoleucine	4.1	130.086804	HMDB0000172	6306	17191	C00407	5193
Aspartate	8.3	132.029684	HMDB0000191	5960	17053	C00049	5206
Malate	8.3	133.0137	HMDB0000156	222656	30797	C00149
Adenine	2.4	134.04667	HMDB0000034	190	16708	C00147	85
Hypoxanthine	2.6	135.030686	HMDB0000157	790	17368	C00262	83
Urocanate	3.8	137.035103	HMDB0000301	736715	30817	C00785	298
O-Phosphorylethanolamine	9.7	140.011272	HMDB0000224	1015	17553	C00346	5233
4-Guanidinobutyrate	6.4	144.077302	HMDB0003464	500	15728	C01035	6938
Alpha-Ketoglutarate	7	145.0137	HMDB0000208	51	30915	C00026	5218
Glutamine	7.1	145.061318	HMDB0000641	5961	18050	C00064	5614
Glutamate	8.2	146.045334	HMDB0000148	33032	16015	C00025	5174
Xanthine	3.3	151.025601	HMDB0000292	1188	17712	C00385	82
Dihydroorotic acid	5.9	157.024933	HMDB0003349
Allantoin	2.8	157.036166	HMDB0000462	204	15676	C01551	89
2-Aminoadipic acid	8.4	160.060984	HMDB0000510	469	37024	C00956	5496
Carnitine	5.5	160.097369	HMDB0000062	10917	16347	C00318	52
Phenylalanine	3.4	164.071154	HMDB0000159	6140	17295	C00079	28
3-(2-Hydroxyphenyl)propionate	1.8	165.05517	HMDB0033752	873	16104	C01198
Phosphoenolpyruvate	9.7	166.974553	HMDB0000263	1005	44897	C00074	5264
Glycerol 3-phosphate	9	171.005853	HMDB0000126	439162	15978	C00093	5161
trans-Aconitate	9.2	173.008615	HMDB0000958	444212	32806	C02341
Citrulline	7.7	174.087867	HMDB0000904	9750	16349	C00327	16
Glucosamine	6.3	178.071549	HMDB0001514	439213	47977	C00329	266
Glucose	5.5	179.055565	HMDB0000122	5793	4167	C00221	133
Theophylline (1 3-Dimethylxanthine)	3.3	179.056901	HMDB0001889
Hydroxyphenyllactate	2.3	181.050085	HMDB0000755	9378	17385	C03672	5723
Sorbitol	5.4	181.071215	HMDB0000247	5780	17924	C00794	143
N-Acetyl-glutamate	7.5	188.055899	HMDB0001138	70914	17533	C00624	6031
Citrate	10.5	191.01918	HMDB0000094	311	30769	C00158	124
Glucuronic acid	7.7	193.03483	HMDB0000127	94715	42717	C00191	161
O-Acetyl-L-carnitine	5.3	202.107934	HMDB0005765	7018721	84058	C21016
Tryptophan	3.4	203.082053	HMDB0000929	6305	16828	C00078	5879
2-methylcitrate	9.7	205.03483	HMDB0000379	515	30835	C02225	5368
Glucaric Acid	9.5	209.029745	HMDB0000663	33037	16002	C00818	5633
Sedoheptulose	5.2	209.06613	HMDB0003219	441483	27520	C08355	3344
Creatine phosphate	9.2	210.027985	HMDB0001511	587	17287	C02305	6288
Pantothenate	3.6	218.102849	HMDB0000210	6613	46905	C00864
2-Deoxyuridine	2.1	227.066798	HMDB0000012	13712	16450	C00526	5086
Ribulose-5-phosphate	9.1	229.011333	HMDB0000618
Uridine	2.5	243.061713	HMDB0000296	6029	16704	C00299	90
Glucose 6-phosphate	10.7	259.021898	HMDB0001401	5958	4170	C00092	145
Glucose 1-phosphate	10.1	259.021898	HMDB0001586	65533	29042	C00103	6331
Fructose 6-phosphate	9.5	259.021898	HMDB0000124	69507	15946	C00085	5159
Adenosine	2.5	266.08893	HMDB0000050
Inosine	3.2	267.072946	HMDB0000195	6021	17596	C00294	84
Guanosine	3.9	282.083845	HMDB0000133	6802	16750	C00387	87
Xanthosine	4	283.067861	HMDB0000299	64959	18107	C01762	3408
Ophthalmate	8.2	288.119562	HMDB0005765
Glutathione	9.2	306.075984	HMDB0062697	745	57925	C00051
Geranyl pyrophosphate	5.7	313.060606	HMDB0001285	445995	17211	C05847	6134
CMP	9.6	322.04403	HMDB0000095
UMP	9.2	323.028046	HMDB0000288
Retinyl acetate	1.1	327.232405	HMDB0035185	10245972	32095
Trehalose	6.8	341.10839	HMDB0000975	7427	16551	C01083	5913
AMP	8.9	346.055263	HMDB0000045	6083	16027	C00020	5111
IMP	9.3	347.039279	HMDB0015536	135398640	471744	C06665
GMP	9.8	362.050178	HMDB0001397	6804	17345	C00144	6216
ADP	10	426.021596	HMDB0001341	6022	16761	C00008	6175
CDP-ethanolamine	9.4	445.052562	HMDB0001564	123727	16732	C00570	3538
UDP-Glucose	9.3	565.047204	HMDB0000286	8629	46229	C00029	5278
UDP-glucuronate	10.3	579.026469	HMDB0000935	17473	17200	C00167	5884
UDP-N-acetylglucosamine	9.1	606.073753	HMDB0000290	445675	16264	C00043	5281
NAD	9.1	662.101304	HMDB0000902	5893	44215	C00003	5858
NADH	8.3	664.116954	HMDB0000902	5893	44215	C00003	5858
Acetoacetate	2.9	101.02387	HMDB0000060	96	15344	C00164	276
3-Aminobutyrate	5.9	102.055504	HMDB0094693	10932	37081
2-Hydroxybutyrate	2.8	103.03952	HMDB0000008	11266	1148	C05984	3783
Fumarate	7.3	115.003135	HMDB0000134	444972	18012	C00122	3242
Trimethylglycine	4.5	116.071154	HMDB0000043	247	17750	C00719	287
5-Aminovalerate	7.4	116.071154	HMDB0003355	138	15887	C00431	6902
Thymine	2	125.035103	HMDB0000262	1135	17821	C00178	290
Pyroglutamate	4.3	128.034769	HMDB0000267	7405	18183	C01879	3251
N-Acetyl-L-alanine	3.7	130.050419	HMDB0000766	88064	40992		5733
trans-4-Hydroxy-L-proline	6.6	130.050419	HMDB0000725	5810	18095	C01157	257
Asparagine	8	131.045668	HMDB0000168	6267	17196	C00152	14
Lysine	13.6	145.097703	HMDB0000182	5962	18019	C00047	5200
O-Acetyl-L-serine	5.3	146.045334	HMDB0003011	99478	17981	C00979	3270
N-Acetyl-serine	4.3	146.045334	HMDB0002931
Citramalate	8.1	147.02935	HMDB0000426	441696	15584	C00815	5415
Methionine	4.8	148.043226	HMDB0000696	6137	16643	C00073	5664
Ribitol	4.3	151.06065	HMDB0000508		15963	C00474	316
Orotate	4	155.009283	HMDB0000226	967	16742	C00295	318
Aminoadipate	8.6	160.060984	HMDB0000510	469	37024	C00956	5496
Fucose	3.7	163.06065	HMDB0012327	439804	90759	C02781
Dihydroxyacetone phosphate	9	168.990203	HMDB0001473	668	16108	C00111	6262
N-Acetyl-Leucine	2.3	172.097369	HMDB0011756
Arginine	12.9	173.103851	HMDB0000517	6322	16467	C00062	5502
N-Acetyl-aspartate	8.1	174.040249	HMDB0000812
Hippuric acid	2.3	178.050419	HMDB0000714	464	18089	C01586	1301
Tyrosine	5.2	180.066069	HMDB0000158	6057	17895	C00082	34
Phosphocholine	10	182.058222	HMDB0001565	1014	18132	C00588	6326
2-Phosphoglycerate	9.9	184.985118	HMDB0000362	59	24344		5351
Gluconate	6.8	195.05048	HMDB0000625	10690	33198	C00257	345
N-Acetyl-L-phenylalanine	2.1	206.081719	HMDB0000512	74839	16259	C03519	5498
Carnosine	8.6	225.098766	HMDB0000033	439224	15727	C00386	38
Ribose 5-phosphate	9.2	229.011333	HMDB0001548	440101	52742	C03736	6315
Thymidine	2	241.082448	HMDB0000273	5789	17748	C00214	3375
Cytidine	3.7	242.077697	HMDB0000089	6253	17562	C00475	3376
Glycerophosphocholine	7.5	256.095002	HMDB0252858	11234
Thiamine	6.3	263.096658	HMDB0000235	1130	18385	C00378	5242
Argininosuccinate	10.1	289.114811	HMDB0000052	16950
Methylthioadenosine	1.8	296.081737	HMDB0001173	439176	17509	C00170
cytidine 5'-monophosphate (CMP)	9.6	322.04403	HMDB0000095
dGMP	8.9	346.055263	HMDB0001044	65059	16192	C00362
UDP	10.3	402.994379	HMDB0000295	6031	17659	C00015
dGDP	9.9	426.021596	HMDB0000960	439220	28862	C00361	5906
Raffinose	9.4	503.161215	HMDB0003213	439242	16634	C00492	138
UDP-Galactose	9.3	565.047204	HMDB0000302	18068	67119	C00052	5291
UDP-N-acetylgalactosamine	9.1	606.073753	HMDB0000304	1167		C00203	5293
Glutathione disulfide	9.9	611.144143	HMDB0003337	65359	1372	C00127
NAD+	9.1	662.101304	HMDB0000902	5893	44215	C00003	5858
NADP	11.3	742.067637	HMDB0000217	5886	44409	C00006	5227
4-Hydroxybenzoic acid	2.5	137.02387	HMDB0000500	135	30763	C00156	5486
METABOLITES_END
#END