#METABOLOMICS WORKBENCH bhun7404_20230523_174313 DATATRACK_ID:4038 STUDY_ID:ST002716 ANALYSIS_ID:AN004404 PROJECT_ID:PR001684
VERSION             	1
CREATED_ON             	May 30, 2023, 10:43 am
#PROJECT
PR:PROJECT_TITLE                 	Ventricle-specific myocardial protein and metabolite characterisation in healthy
PR:PROJECT_TITLE                 	humans, with differential regulation in end-stage cardiomyopathies
PR:PROJECT_SUMMARY               	The left and right ventricles of the human heart are functionally and
PR:PROJECT_SUMMARY               	developmentally distinct such that genetic or acquired insults can cause
PR:PROJECT_SUMMARY               	dysfunction in one or both ventricles resulting in heart failure. First, we
PR:PROJECT_SUMMARY               	performed unbiased quantitative mass spectrometry on the myocardium of 25-27
PR:PROJECT_SUMMARY               	pre-mortem cryopreserved non-diseased human hearts to compare the metabolome and
PR:PROJECT_SUMMARY               	proteome between the normal left and right ventricles. Constituents of
PR:PROJECT_SUMMARY               	gluconeogenesis, glycolysis, lipogenesis, lipolysis, fatty acid catabolism, the
PR:PROJECT_SUMMARY               	citrate cycle and oxidative phosphorylation were down-regulated in the left
PR:PROJECT_SUMMARY               	ventricle, while glycogenesis, pyruvate and ketone metabolism were up-regulated.
PR:PROJECT_SUMMARY               	Inter-ventricular significance of these metabolic pathways was then found to be
PR:PROJECT_SUMMARY               	diminished within end-stage dilated cardiomyopathy and ischaemic cardiomyopathy
PR:PROJECT_SUMMARY               	(n = 30-33), while heart failure-associated pathways were increased in the left
PR:PROJECT_SUMMARY               	ventricle relative to the right within ischaemic cardiomyopathy, such as fluid
PR:PROJECT_SUMMARY               	sheer-stress, increased glutamine to glutamate ratio, and down-regulation of
PR:PROJECT_SUMMARY               	contractile proteins indicating a left ventricular pathological bias.
PR:INSTITUTE                     	The University of Sydney
PR:LAST_NAME                     	Hunter
PR:FIRST_NAME                    	Benjamin
PR:ADDRESS                       	John Hopkins Dr, Camperdown, NSW, 2006, Australia
PR:EMAIL                         	benjamin.hunter@sydney.edu.au
PR:PHONE                         	+61422525639
#STUDY
ST:STUDY_TITLE                   	Ventricle-specific myocardial protein and metabolite characterisation in healthy
ST:STUDY_TITLE                   	humans, with differential regulation in end-stage cardiomyopathies (Part 1)
ST:STUDY_SUMMARY                 	The left and right ventricles of the human heart are functionally and
ST:STUDY_SUMMARY                 	developmentally distinct such that genetic or acquired insults can cause
ST:STUDY_SUMMARY                 	dysfunction in one or both ventricles resulting in heart failure. First, we
ST:STUDY_SUMMARY                 	performed unbiased quantitative mass spectrometry on the myocardium of 25-27
ST:STUDY_SUMMARY                 	pre-mortem cryopreserved non-diseased human hearts to compare the metabolome and
ST:STUDY_SUMMARY                 	proteome between the normal left and right ventricles. Constituents of
ST:STUDY_SUMMARY                 	gluconeogenesis, glycolysis, lipogenesis, lipolysis, fatty acid catabolism, the
ST:STUDY_SUMMARY                 	citrate cycle and oxidative phosphorylation were down-regulated in the left
ST:STUDY_SUMMARY                 	ventricle, while glycogenesis, pyruvate and ketone metabolism were up-regulated.
ST:STUDY_SUMMARY                 	Inter-ventricular significance of these metabolic pathways was then found to be
ST:STUDY_SUMMARY                 	diminished within end-stage dilated cardiomyopathy and ischaemic cardiomyopathy
ST:STUDY_SUMMARY                 	(n = 30-33), while heart failure-associated pathways were increased in the left
ST:STUDY_SUMMARY                 	ventricle relative to the right within ischaemic cardiomyopathy, such as fluid
ST:STUDY_SUMMARY                 	sheer-stress, increased glutamine to glutamate ratio, and down-regulation of
ST:STUDY_SUMMARY                 	contractile proteins indicating a left ventricular pathological bias.
ST:INSTITUTE                     	University of Sydney
ST:LAST_NAME                     	Hunter
ST:FIRST_NAME                    	Benjamin
ST:ADDRESS                       	John Hopkins Dr, Camperdown, NSW, 2006, Australia
ST:EMAIL                         	benjamin.hunter@sydney.edu.au
ST:PHONE                         	+61422525639
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male and female
#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           	Donor21	Raw_SmpID_9	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=83; 2018_Mass_Spec ID=1; RAW_FILE_NAME=83_1
SUBJECT_SAMPLE_FACTORS           	ICM9	Raw_SmpID_32	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=22; 2018_Mass_Spec ID=2; RAW_FILE_NAME=22_2
SUBJECT_SAMPLE_FACTORS           	ICM11	Raw_SmpID_33	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=2; 2018_Mass_Spec ID=3; RAW_FILE_NAME=2_3
SUBJECT_SAMPLE_FACTORS           	Donor18	Raw_SmpID_5	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=37; 2018_Mass_Spec ID=4; RAW_FILE_NAME=37_4
SUBJECT_SAMPLE_FACTORS           	ICM11	Raw_SmpID_34	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=3; 2018_Mass_Spec ID=6; RAW_FILE_NAME=3_6
SUBJECT_SAMPLE_FACTORS           	ICM4	Raw_SmpID_35	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=94; 2018_Mass_Spec ID=7; RAW_FILE_NAME=94_7
SUBJECT_SAMPLE_FACTORS           	Donor20	Raw_SmpID_4	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=29; 2018_Mass_Spec ID=8; RAW_FILE_NAME=29_8
SUBJECT_SAMPLE_FACTORS           	ICM8	Raw_SmpID_36	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=24; 2018_Mass_Spec ID=10; RAW_FILE_NAME=24_10
SUBJECT_SAMPLE_FACTORS           	ICM16	Raw_SmpID_27	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=79; 2018_Mass_Spec ID=11; RAW_FILE_NAME=79_11
SUBJECT_SAMPLE_FACTORS           	ICM12	Raw_SmpID_37	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=70; 2018_Mass_Spec ID=13; RAW_FILE_NAME=70_13
SUBJECT_SAMPLE_FACTORS           	Donor14	Raw_SmpID_12	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=20; 2018_Mass_Spec ID=14; RAW_FILE_NAME=20_14
SUBJECT_SAMPLE_FACTORS           	Donor25	Raw_SmpID_1	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=78; 2018_Mass_Spec ID=15; RAW_FILE_NAME=78_15
SUBJECT_SAMPLE_FACTORS           	ICM12	Raw_SmpID_43	Condition:ICM | Location:RV	Year=2018; 2018_Run_position=57; 2018_Mass_Spec ID=17; RAW_FILE_NAME=57_17
SUBJECT_SAMPLE_FACTORS           	ICM11	Raw_SmpID_44	Condition:ICM | Location:RV	Year=2018; 2018_Run_position=19; 2018_Mass_Spec ID=18; RAW_FILE_NAME=19_18
SUBJECT_SAMPLE_FACTORS           	DCM13	Raw_SmpID_47	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=4; 2018_Mass_Spec ID=19; RAW_FILE_NAME=4_19
SUBJECT_SAMPLE_FACTORS           	DCM5	Raw_SmpID_48	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=50; 2018_Mass_Spec ID=20; RAW_FILE_NAME=50_20
SUBJECT_SAMPLE_FACTORS           	Donor14	Raw_SmpID_26	Condition:Donor | Location:RV	Year=2018; 2018_Run_position=92; 2018_Mass_Spec ID=21; RAW_FILE_NAME=92_21
SUBJECT_SAMPLE_FACTORS           	DCM10	Raw_SmpID_64	Condition:DCM | Location:RV	Year=2018; 2018_Run_position=14; 2018_Mass_Spec ID=22; RAW_FILE_NAME=14_22
SUBJECT_SAMPLE_FACTORS           	DCM6	Raw_SmpID_53	Condition:DCM | Location:RV	Year=2018; 2018_Run_position=18; 2018_Mass_Spec ID=23; RAW_FILE_NAME=18_23
SUBJECT_SAMPLE_FACTORS           	DCM13	Raw_SmpID_52	Condition:DCM | Location:RV	Year=2018; 2018_Run_position=59; 2018_Mass_Spec ID=24; RAW_FILE_NAME=59_24
SUBJECT_SAMPLE_FACTORS           	Donor18	Raw_SmpID_23	Condition:Donor | Location:RV	Year=2018; 2018_Run_position=72; 2018_Mass_Spec ID=25; RAW_FILE_NAME=72_25
SUBJECT_SAMPLE_FACTORS           	ICM9	Raw_SmpID_45	Condition:ICM | Location:RV	Year=2018; 2018_Run_position=27; 2018_Mass_Spec ID=28; RAW_FILE_NAME=27_28
SUBJECT_SAMPLE_FACTORS           	Donor21	Raw_SmpID_24	Condition:Donor | Location:RV	Year=2018; 2018_Run_position=87; 2018_Mass_Spec ID=29; RAW_FILE_NAME=87_29
SUBJECT_SAMPLE_FACTORS           	Donor20	Raw_SmpID_25	Condition:Donor | Location:RV	Year=2018; 2018_Run_position=68; 2018_Mass_Spec ID=30; RAW_FILE_NAME=68_30
SUBJECT_SAMPLE_FACTORS           	DCM5	Raw_SmpID_54	Condition:DCM | Location:RV	Year=2018; 2018_Run_position=55; 2018_Mass_Spec ID=31; RAW_FILE_NAME=55_31
SUBJECT_SAMPLE_FACTORS           	DCM7	Raw_SmpID_55	Condition:DCM | Location:RV	Year=2018; 2018_Run_position=84; 2018_Mass_Spec ID=32; RAW_FILE_NAME=84_32
SUBJECT_SAMPLE_FACTORS           	ICM16	Raw_SmpID_42	Condition:ICM | Location:RV	Year=2018; 2018_Run_position=49; 2018_Mass_Spec ID=33; RAW_FILE_NAME=49_33
SUBJECT_SAMPLE_FACTORS           	DCM10	Raw_SmpID_57	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=13; 2018_Mass_Spec ID=34; RAW_FILE_NAME=13_34
SUBJECT_SAMPLE_FACTORS           	DCM7	Raw_SmpID_49	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=63; 2018_Mass_Spec ID=35; RAW_FILE_NAME=63_35
SUBJECT_SAMPLE_FACTORS           	Donor3	Raw_SmpID_13	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=48; 2018_Mass_Spec ID=36; RAW_FILE_NAME=48_36
SUBJECT_SAMPLE_FACTORS           	DCM1	Raw_SmpID_50	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=82; 2018_Mass_Spec ID=37; RAW_FILE_NAME=82_37
SUBJECT_SAMPLE_FACTORS           	Donor17	Raw_SmpID_2	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=8; 2018_Mass_Spec ID=38; RAW_FILE_NAME=8_38
SUBJECT_SAMPLE_FACTORS           	Donor27	Raw_SmpID_3	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=89; 2018_Mass_Spec ID=39; RAW_FILE_NAME=89_39
SUBJECT_SAMPLE_FACTORS           	Donor13	Raw_SmpID_14	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=12; 2018_Mass_Spec ID=40; RAW_FILE_NAME=12_40
SUBJECT_SAMPLE_FACTORS           	DCM3	Raw_SmpID_51	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=64; 2018_Mass_Spec ID=43; RAW_FILE_NAME=64_43
SUBJECT_SAMPLE_FACTORS           	Donor4	Raw_SmpID_15	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=88; 2018_Mass_Spec ID=44; RAW_FILE_NAME=88_44
SUBJECT_SAMPLE_FACTORS           	Donor2	Raw_SmpID_16	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=90; 2018_Mass_Spec ID=45; RAW_FILE_NAME=90_45
SUBJECT_SAMPLE_FACTORS           	ICM1	Raw_SmpID_46	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=28; 2018_Mass_Spec ID=47; RAW_FILE_NAME=28_47
SUBJECT_SAMPLE_FACTORS           	DCM11	Raw_SmpID_56	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=43; 2018_Mass_Spec ID=48; RAW_FILE_NAME=43_48
SUBJECT_SAMPLE_FACTORS           	ICM18	Raw_SmpID_28	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=42; 2018_Mass_Spec ID=49; RAW_FILE_NAME=42_49
SUBJECT_SAMPLE_FACTORS           	Donor20	Raw_SmpID_11	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=60; 2018_Mass_Spec ID=50; RAW_FILE_NAME=60_50
SUBJECT_SAMPLE_FACTORS           	Donor5	Raw_SmpID_17	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=9; 2018_Mass_Spec ID=52; RAW_FILE_NAME=9_52
SUBJECT_SAMPLE_FACTORS           	Donor18	Raw_SmpID_10	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=80; 2018_Mass_Spec ID=53; RAW_FILE_NAME=80_53
SUBJECT_SAMPLE_FACTORS           	Donor11	Raw_SmpID_18	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=47; 2018_Mass_Spec ID=54; RAW_FILE_NAME=47_54
SUBJECT_SAMPLE_FACTORS           	DCM14	Raw_SmpID_58	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=25; 2018_Mass_Spec ID=55; RAW_FILE_NAME=25_55
SUBJECT_SAMPLE_FACTORS           	Donor23	Raw_SmpID_6	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=67; 2018_Mass_Spec ID=56; RAW_FILE_NAME=67_56
SUBJECT_SAMPLE_FACTORS           	DCM9	Raw_SmpID_60	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=17; 2018_Mass_Spec ID=57; RAW_FILE_NAME=17_57
SUBJECT_SAMPLE_FACTORS           	ICM5	Raw_SmpID_38	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=44; 2018_Mass_Spec ID=59; RAW_FILE_NAME=44_59
SUBJECT_SAMPLE_FACTORS           	DCM8	Raw_SmpID_61	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=23; 2018_Mass_Spec ID=60; RAW_FILE_NAME=23_60
SUBJECT_SAMPLE_FACTORS           	Donor26	Raw_SmpID_7	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=39; 2018_Mass_Spec ID=61; RAW_FILE_NAME=39_61
SUBJECT_SAMPLE_FACTORS           	ICM16	Raw_SmpID_29	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=52; 2018_Mass_Spec ID=62; RAW_FILE_NAME=52_62
SUBJECT_SAMPLE_FACTORS           	Donor14	Raw_SmpID_19	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=33; 2018_Mass_Spec ID=63; RAW_FILE_NAME=33_63
SUBJECT_SAMPLE_FACTORS           	DCM10	Raw_SmpID_59	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=45; 2018_Mass_Spec ID=65; RAW_FILE_NAME=45_65
SUBJECT_SAMPLE_FACTORS           	ICM10	Raw_SmpID_39	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=54; 2018_Mass_Spec ID=66; RAW_FILE_NAME=54_66
SUBJECT_SAMPLE_FACTORS           	DCM2	Raw_SmpID_62	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=73; 2018_Mass_Spec ID=67; RAW_FILE_NAME=73_67
SUBJECT_SAMPLE_FACTORS           	ICM19	Raw_SmpID_30	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=38; 2018_Mass_Spec ID=68; RAW_FILE_NAME=38_68
SUBJECT_SAMPLE_FACTORS           	ICM13	Raw_SmpID_31	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=34; 2018_Mass_Spec ID=69; RAW_FILE_NAME=34_69
SUBJECT_SAMPLE_FACTORS           	Donor12	Raw_SmpID_20	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=30; 2018_Mass_Spec ID=70; RAW_FILE_NAME=30_70
SUBJECT_SAMPLE_FACTORS           	ICM4	Raw_SmpID_40	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=74; 2018_Mass_Spec ID=71; RAW_FILE_NAME=74_71
SUBJECT_SAMPLE_FACTORS           	ICM3	Raw_SmpID_41	Condition:ICM | Location:LV	Year=2018; 2018_Run_position=7; 2018_Mass_Spec ID=72; RAW_FILE_NAME=7_72
SUBJECT_SAMPLE_FACTORS           	DCM4	Raw_SmpID_63	Condition:DCM | Location:LV	Year=2018; 2018_Run_position=93; 2018_Mass_Spec ID=73; RAW_FILE_NAME=93_73
SUBJECT_SAMPLE_FACTORS           	Donor8	Raw_SmpID_21	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=75; 2018_Mass_Spec ID=75; RAW_FILE_NAME=75_75
SUBJECT_SAMPLE_FACTORS           	Donor1	Raw_SmpID_22	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=69; 2018_Mass_Spec ID=76; RAW_FILE_NAME=69_76
SUBJECT_SAMPLE_FACTORS           	Donor16	Raw_SmpID_8	Condition:Donor | Location:LV	Year=2018; 2018_Run_position=62; 2018_Mass_Spec ID=77; RAW_FILE_NAME=62_77
#COLLECTION
CO:COLLECTION_SUMMARY            	Donated human myocardium. Refer to uploaded acquisition methods.
CO:COLLECTION_PROTOCOL_FILENAME  	LVvsRV_Metabolomics_Methods_2018.docx
CO:SAMPLE_TYPE                   	Heart
CO:STORAGE_CONDITIONS            	Described in summary
#TREATMENT
TR:TREATMENT_SUMMARY             	Human myocardial tissue from the left ventricle was compared to the right
TR:TREATMENT_SUMMARY             	ventricle within three conditions; non-diseased donors, ischaemic
TR:TREATMENT_SUMMARY             	cardiomyopathy, and dilated cardiomyopathy, but not between the different
TR:TREATMENT_SUMMARY             	conditions.
TR:TREATMENT_PROTOCOL_FILENAME   	LVvsRV_Metabolomics_Methods_2018.docx
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Refer to the uploaded methods file.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	LVvsRV_Metabolomics_Methods_2018.docx
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	HPLC gradient: The HPLC gradient program is initialized with an initial mobile
CH:CHROMATOGRAPHY_SUMMARY        	phase composition of 15% solvent A and 85% solvent B at a flow rate of 0.25
CH:CHROMATOGRAPHY_SUMMARY        	mL/min. Over the course of 8 minutes, the mobile phase composition undergoes a
CH:CHROMATOGRAPHY_SUMMARY        	transition to 65% solvent A and 35% solvent B. Subsequently, at 8 minutes, the
CH:CHROMATOGRAPHY_SUMMARY        	composition shifts to 98% solvent A and 2% solvent B, maintained for 1 minute.
CH:CHROMATOGRAPHY_SUMMARY        	The mobile phase reverts back to the initial composition of 15% solvent A and
CH:CHROMATOGRAPHY_SUMMARY        	85% solvent B at 10 minutes. At 12.5 minutes, the flow rate is increased to 0.5
CH:CHROMATOGRAPHY_SUMMARY        	mL/min, while maintaining a constant mobile phase composition of 15% solvent A
CH:CHROMATOGRAPHY_SUMMARY        	and 85% solvent B for a period of 2.5 minutes. Finally, at 15 minutes, the flow
CH:CHROMATOGRAPHY_SUMMARY        	rate is reduced back to 0.25 mL/min. To ensure system stability, the final
CH:CHROMATOGRAPHY_SUMMARY        	condition is maintained for 1 minute prior to subsequent analyses.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Agilent 1260
CH:COLUMN_NAME                   	Waters XBridge Amide (100 x 2.1 mm,3.5um)
CH:SOLVENT_A                     	95:5 H2O:Acetonitrile (v:v) with 20mM Ammonium Acetate and 20mM Ammonium
CH:SOLVENT_A                     	Hydroxide (pH 9.0)
CH:SOLVENT_B                     	Acetonitrile
CH:FLOW_GRADIENT                 	HPLC gradient: The HPLC gradient program is initialized with an initial mobile
CH:FLOW_GRADIENT                 	phase composition of 15% solvent A and 85% solvent B at a flow rate of 0.25
CH:FLOW_GRADIENT                 	mL/min. Over the course of 8 minutes, the mobile phase composition undergoes a
CH:FLOW_GRADIENT                 	transition to 65% solvent A and 35% solvent B. Subsequently, at 8 minutes, the
CH:FLOW_GRADIENT                 	composition shifts to 98% solvent A and 2% solvent B, maintained for 1 minute.
CH:FLOW_GRADIENT                 	The mobile phase reverts back to the initial composition of 15% solvent A and
CH:FLOW_GRADIENT                 	85% solvent B at 10 minutes. At 12.5 minutes, the flow rate is increased to 0.5
CH:FLOW_GRADIENT                 	mL/min, while maintaining a constant mobile phase composition of 15% solvent A
CH:FLOW_GRADIENT                 	and 85% solvent B for a period of 2.5 minutes.
CH:FLOW_RATE                     	0.250 – 0.400 mL/min
CH:COLUMN_TEMPERATURE            	40°C
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	LVvsRV_Metabolomics_Methods_2018.docx
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 5500 QTrap
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	The analysis software MultiQuant 3.0 (ABSciex) was used for MRM Q1/Q3 peak
MS:MS_COMMENTS                   	integration of the raw data files (Analyst software, v.1.6.2; ABSciex).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Relative abundance
MS_METABOLITE_DATA_START
Samples	Raw_SmpID_1	Raw_SmpID_2	Raw_SmpID_3	Raw_SmpID_11	Raw_SmpID_10	Raw_SmpID_6	Raw_SmpID_7	Raw_SmpID_8	Raw_SmpID_9	Raw_SmpID_5	Raw_SmpID_4	Raw_SmpID_12	Raw_SmpID_13	Raw_SmpID_14	Raw_SmpID_15	Raw_SmpID_16	Raw_SmpID_17	Raw_SmpID_18	Raw_SmpID_19	Raw_SmpID_20	Raw_SmpID_21	Raw_SmpID_22	Raw_SmpID_23	Raw_SmpID_24	Raw_SmpID_25	Raw_SmpID_26	Raw_SmpID_27	Raw_SmpID_28	Raw_SmpID_29	Raw_SmpID_30	Raw_SmpID_31	Raw_SmpID_32	Raw_SmpID_33	Raw_SmpID_34	Raw_SmpID_35	Raw_SmpID_36	Raw_SmpID_37	Raw_SmpID_38	Raw_SmpID_39	Raw_SmpID_40	Raw_SmpID_41	Raw_SmpID_42	Raw_SmpID_43	Raw_SmpID_44	Raw_SmpID_45	Raw_SmpID_46	Raw_SmpID_47	Raw_SmpID_48	Raw_SmpID_49	Raw_SmpID_50	Raw_SmpID_51	Raw_SmpID_52	Raw_SmpID_53	Raw_SmpID_54	Raw_SmpID_55	Raw_SmpID_56	Raw_SmpID_57	Raw_SmpID_58	Raw_SmpID_59	Raw_SmpID_60	Raw_SmpID_61	Raw_SmpID_62	Raw_SmpID_63	Raw_SmpID_64
Factors	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:LV	Condition:Donor | Location:RV	Condition:Donor | Location:RV	Condition:Donor | Location:RV	Condition:Donor | Location:RV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:LV	Condition:ICM | Location:RV	Condition:ICM | Location:RV	Condition:ICM | Location:RV	Condition:ICM | Location:RV	Condition:ICM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:RV	Condition:DCM | Location:RV	Condition:DCM | Location:RV	Condition:DCM | Location:RV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:LV	Condition:DCM | Location:RV
2-hydroxy-2-methylbutyrate	1.333612128	2.044154431	0.736040212	1.390957304	0.986406413	0.713635279	1.330531327	1.215673142	2.633720567	0.715142614	1.750071255	1.373376986	0.886888239	0.784016719	0.802982893	1.595324505	1.68905899	0.722576623	1.032286486	0.596037367	1.165842065	0.714389523	0.805919318	1.315691488	1.679957607	0.729072504	1.181434436	0.620944217	1.023094554	0.693753962	2.011604079	0.902792617	0.615718837	0.611990643	1.196803277	0.949307743	1.158999061	0.75375216	0.612309652	1.186833767	0.965279143	1.059304497	0.655630438	0.729671617	0.757266102	1.17895717	0.641700354	1.040993637	0.867765524	0.630007222	0.852351175	0.590453838	1.184697897	0.955619589	1.261464404	0.791972042	1.129756211	0.834675668	1.21354778	0.556845477	1.327536433	0.801407637	0.418211523	0.964030945
2-hydroxyglutarate	0.595655067	2.65041779	0.872876138	1.439699976	0.854259979	1.197434997	0.962289121	0.969984422	1.896917887	0.601380884	0.993966522	1.296122486	1.483137829	0.793893237	1.009633269	1.370476393	0.840503014	1.049482261	1.346883266	0.873375466	0.487053729	1.842050811	0.393773943	1.573222118	0.941808446	0.713914764	2.039642927	0.508841251	1.50330408	0.918677061	1.418568657	0.74753328	0.901692959	0.918489958	1.221377488	1.927521631	0.980076203	0.775180165	0.631982423	0.87026518	1.349751988	1.229947879	0.862910511	0.843052132	0.955173522	1.181009099	0.953134873	1.014737307	1.191625472	0.811939749	0.626112132	0.710094026	0.815229473	0.62980302	1.278178454	1.19039184	0.945896374	1.233577574	0.876000571	0.758369239	1.143538071	1.084112117	0.941577096	1.120828316
3-methyl-2-oxobutyrate	2.01086087	1.70229443	1.033649443	1.552400419	1.178215194	0.650878847	1.299971659	1.066365947	1.13082036	0.995967901	1.008842131	0.901877384	0.858443676	1.129543786	0.867343418	1.018336381	0.956421517	0.944043931	0.542089486	1.572492343	1.147587914	1.071504657	1.158988724	0.837431018	0.739592377	0.880123988	1.117879733	1.251433199	0.640881568	0.724986068	0.654011965	0.949879225	1.392855454	1.081796651	0.705015246	1.260181834	1.235843282	0.87269973	1.310963349	1.007184107	0.989095291	0.597586485	0.87568118	0.885137753	1.349292132	1.157584694	1.868272687	0.955653594	0.745202721	1.18338164	2.240667808	1.556510088	0.799780589	0.767847317	0.773781633	2.127809093	0.731396466	1.243382085	1.77982676	1.228356506	1.390024639	1.050184867	1.603755641	1.622462662
3-phosphoglycerate	0.905368932	0.896696216	0.46518563	0.372031683	1.08839882	0.37693026	0.864108232	1.788265039	1.185913254	0.416568414	0.338531359	1.261033918	0.390155757	1.245457954	0.425037153	1.619705449	1.641072381	1.154173982	0.526081734	0.756311548	0.754993761	0.414004074	0.730856191	1.073704545	0.368611424	0.331307043	0.881991679	0.648902474	1.286924478	1.65079258	1.664200288	0.553118988	0.375009368	0.479849708	0.453886135	0.642545628	0.865245945	2.335707563	1.548160075	1.39272039	0.834901921	0.744248546	0.628313371	0.732018184	3.487278116	1.558306223	0.464381051	0.491063218	1.11615792	0.986077286	1.010664675	0.375889828	0.877756875	1.188799813	0.600078499	1.109338666	2.0599214	2.725333897	1.458641818	0.3031187	2.121713813	1.592356773	0.564258601	0.66652414
Acetyl-coA	0.671214154	1.349904357	0.739140037	0.675023319	1.626850864	0.713076503	1.46623595	2.01046774	0.180562167	1.948107677	0.413794715	0.624095856	1.361774035	0.677321005	1.059150199	1.43675389	1.796700108	1.146015671	1.639024153	2.112887974	1.360106399	1.556364446	1.568374727	0.499769622	0.60825325	1.173340352	0.380062704	0.493835177	2.050254509	2.109299238	1.503612716	0.47188607	0.401353462	0.698595716	0.627601892	0.273898645	0.272680296	0.599110036	1.050524499	1.53491025	1.766497929	0.611173001	0.331681802	0.396072422	2.23610101	0.405954429	0.351484408	0.360749707	0.639865331	0.395422864	1.027442332	0.124536824	0.49300921	0.459741226	0.825029686	0.965765531	1.020883999	1.055105302	0.625524134	0.630469776	1.109804032	1.051004009	0.523283416	0.40264939
Adenosine diphosphate	1.277216996	0.861157174	1.024316894	0.806899784	2.041331729	0.87253128	1.199024169	3.572320866	0.799166518	1.281912651	0.573893635	0.601780573	1.034147473	1.814195454	0.459847787	1.694567754	0.802835133	1.891994663	1.632661091	1.833657043	1.427620201	0.685275864	2.121181966	1.248584871	0.801399988	0.79386106	0.813406431	0.726722807	2.529514169	1.994548045	1.473858881	0.218126193	0.477904248	0.669196465	0.461233935	1.236503715	1.245511828	1.956688301	1.126876005	1.173719047	1.836748312	1.004400713	0.512095234	0.483892892	2.318517593	0.711485655	0.965702171	0.45460174	1.041528873	0.72679687	0.633134157	0.406403685	0.629969908	0.956960375	0.704716082	2.378129456	1.803394912	1.357960195	0.750266967	0.579116408	0.992977393	1.575619095	0.610433104	0.776189688
Adenosine triphosphate	0.553187917	2.279848267	0.859160279	1.238692655	1.889541338	0.641012528	0.562242518	1.929430504	0.297398468	0.749288936	0.415526198	2.056506097	2.374976386	1.146068215	0.720509669	1.829342585	2.197254062	3.10525176	5.908846364	3.281842631	1.48867452	1.523363081	2.956080951	1.602219571	0.394041345	2.964694374	0.71912473	0.372793125	2.443769042	1.248792183	1.728643081	0.136139324	0.433889898	0.327779809	0.185163701	0.959380723	1.279868718	1.221237823	0.853800902	0.986760963	0.985250591	1.597421185	0.563871192	0.26515223	0.995385062	1.099086508	0.314183437	0.617696195	1.351444086	0.723406321	0.747516433	0.314800819	0.55183636	0.861925568	0.895252277	0.982019861	1.86561044	1.145026097	1.639367381	0.219327345	1.282699248	1.746284659	0.779527526	0.513415911
Arginosuccinate	0.782125372	1.17302444	1.152774745	1.086989527	1.23385841	1.269317608	0.920853136	1.147055943	1.082739148	1.487965041	1.153942841	0.773870315	0.879712119	1.0454292	1.267239738	1.156604216	1.090129071	0.938253108	0.980237319	1.23035399	0.918996891	0.72570503	1.208050002	0.788206428	1.149123005	0.913366114	0.913692495	0.846797959	0.936325262	0.987896658	0.972803946	0.688541911	0.854808723	2.197598788	1.185464686	0.919152523	0.837576972	1.065424302	1.093934567	0.685929693	0.722397014	0.847777638	0.803607838	0.836639198	0.663409171	0.777159919	0.946930201	1.266684744	1.29764941	1.131888233	0.863501248	1.195053166	0.998342374	1.048934697	0.975940757	0.777832725	0.88871314	0.769097618	0.797997389	1.337545908	0.659331496	0.705079778	0.965909475	0.889395532
Biotin	0.366513732	0.243439814	0.318635755	0.579713383	1.033164316	1.58866177	0.208621363	0.645378388	0.331100796	0.693867974	0.577387824	0.085746076	0.270805451	0.844302839	0.629779853	0.319378882	0.170162061	0.205818816	0.093944332	0.074458113	0.904807203	0.097769826	0.709192934	0.250048873	0.971115466	0.253087313	1.827456906	0.222641765	1.362378091	0.661072489	1.712758539	0.983322693	1.839916712	1.711634053	1.504808515	2.125995756	2.694571357	1.237334807	1.382883755	0.894996538	1.649479027	1.032478858	1.801336787	1.110728238	0.966176833	0.897084464	1.29016832	1.728163337	1.452638958	0.766258043	0.93559406	1.299889755	1.434147093	1.518348269	1.593049815	0.168166962	1.356251017	1.08980139	1.115998153	0.872628079	0.735312386	0.769842701	1.017879336	1.21652989
Cholesterol sulfate	0.727419135	0.653163806	0.596254575	0.515911155	0.840079155	0.672366601	1.33368044	1.447756495	0.954117522	0.906926862	0.56162423	0.431227014	0.548714783	0.512244802	0.619720213	0.638547961	1.311909714	0.894842207	0.700921353	1.249930103	0.53373552	1.180220509	0.716806286	0.747961046	0.69125906	0.683651138	0.547293921	0.545657674	1.207609518	1.588769001	1.97940742	0.437663488	2.517977177	0.813760926	0.682011905	0.359849963	0.884210388	0.835877985	1.338442247	1.186143594	1.397583168	0.71389553	0.219449662	0.577476579	1.133661756	0.553932404	0.538127661	0.260856107	1.062725339	0.757137171	0.453652217	0.669567663	0.862443222	0.386706185	0.96871866	0.827155738	0.891629682	0.910859983	0.89076854	0.630074367	0.637483522	1.159855906	0.920134625	0.361479605
Citraconate	0.821254394	1.484482116	0.633207849	0.853500367	2.460019787	1.16538843	0.99849867	0.810014195	0.973443894	2.11983902	0.741064148	1.275659273	0.8524345	0.572201027	0.735579252	1.270400396	1.48215424	0.497102633	0.976206309	0.719265151	1.370161741	1.778369484	5.889627979	1.253678797	1.035936666	0.468246892	1.189759467	0.476138969	0.759400975	1.253834814	2.03344779	0.454068633	0.474711846	0.550292609	0.56598817	1.363400423	1.380842527	0.664378644	0.576718897	0.775152427	0.72828846	0.6469097	0.793494627	0.497772986	0.888909718	1.278355904	0.557180576	0.538826017	0.805564571	0.518101181	0.61060876	0.543716013	0.654384963	1.233859447	1.240491623	0.787276385	0.951949166	1.611841846	0.98683705	0.562994344	0.758842191	1.746693017	0.417572264	0.766391481
Deoxycholate	0.556748323	1.797191752	1.152946121	0.54503488	0.883072973	1.004339821	1.0174598	1.300717841	0.262388411	0.488962759	0.520219743	0.943025402	1.37813933	0.586808965	1.336448776	1.239474388	1.273610419	2.242471309	2.033125039	2.468584413	0.609560298	1.222953553	0.895505129	1.154678336	0.99625078	0.753019459	0.578015732	1.010171673	2.087811412	1.863610497	1.683236627	1.440204232	0.315780682	0.431452535	0.325949241	0.306438685	0.463110827	1.408165413	1.27752489	1.188028207	1.372989389	1.034208868	0.586944576	0.337751423	1.523205627	1.116035012	0.328536963	0.484940632	0.876015257	1.502522143	1.377219115	0.465142684	0.719709299	1.225606095	0.628583215	1.590339906	0.963615949	1.351176375	0.796677379	0.455258149	1.404596437	1.065497749	0.847778386	0.608286093
Erythrose 4-phosphate	1.330571519	0.90036005	3.14205554	2.848970283	4.131670792	3.311312888	2.289869965	1.557590635	0.111396575	1.620577458	2.400720987	0.681465314	0.403989096	1.554778442	2.178692788	0.734674531	0.852670522	1.246287749	1.125152742	0.634767713	0.83675549	0.188343168	2.714889254	0.433074988	2.742742145	1.497828657	1.06440509	0.499638298	2.458824945	0.70004615	4.573618608	0.187493635	0.975926357	0.546679987	0.508958946	0.501903476	0.271487766	1.242320115	0.812384664	0.522710967	0.696889259	0.793315992	0.173885235	0.401771503	0.19866083	0.365017037	1.364696922	1.414407887	0.969427163	0.740605307	0.411957834	1.592215975	0.424580804	0.842881696	0.991895328	0.953514728	0.248596267	0.761305745	0.310713822	1.33424865	0.34415929	0.473730866	0.497129734	0.546177509
Fructose 1,6-bisphosphate	0.895869938	2.423891929	0.935821161	0.640805261	4.26563243	0.449412607	2.039212157	12.35248238	0.306324281	0.507468377	0.397718064	1.033662178	1.524113478	2.693077773	0.733293692	3.836965646	1.709997329	9.797900329	2.497671878	1.264858835	1.040891637	1.027524795	0.909993983	3.074209905	0.81406951	3.053654515	0.369402851	0.602968036	4.168857212	3.240220968	2.210592282	0.269114242	0.283137512	0.43683875	0.551913357	0.827360918	0.618857609	1.73431263	1.383040055	0.921301487	2.447045719	1.852578031	0.564177193	0.440142817	2.72554566	1.2532635	0.576361424	1.241061108	2.943121634	0.578608067	1.00967996	0.378004451	0.549117596	1.294018283	0.882091121	5.378082282	3.075286313	1.834701012	0.89727707	0.403531919	1.50018662	1.13977177	1.055634368	1.023382906
Fructose 6-phosphate	2.354940472	1.25106742	2.173351953	2.94676787	2.15328905	2.717980438	1.909872515	1.682549223	0.288563908	1.437154339	1.983935199	1.33873442	0.362776203	1.869207277	2.255252761	0.930178188	0.985793902	0.845736833	0.935312453	0.346735144	2.026013194	0.119895736	2.38173537	0.309578516	2.719227153	1.388020738	1.103175281	0.204268979	1.339055345	0.532765963	0.912795796	0.159900785	0.498890321	0.403918578	0.712385069	0.568698078	0.551857676	1.163132158	0.921637018	0.760273474	0.404330895	0.475727806	0.164099077	0.215939249	0.130335427	0.230592691	0.723461725	0.543302633	1.301667604	0.560256705	0.328762864	1.474765975	0.504978278	0.625764018	1.261893956	0.565280747	0.280807885	0.783626624	0.363649723	0.943612308	0.332831324	0.307164825	0.246299415	0.555280935
Glucose	1.014890541	1.130741742	1.523678883	1.133608715	2.017217789	1.502038183	0.699819266	0.939459637	0.737357048	1.214665379	1.83487755	0.690736219	0.77674975	1.295543756	1.240897405	1.849921624	0.881564536	0.76405797	0.872789591	1.262465042	1.099051276	0.651517409	1.538521008	0.395194381	1.013189243	1.192322629	0.703787739	0.471246499	1.014497351	0.590425627	1.003206058	0.811088522	1.070112581	0.885304392	0.796891677	0.691928779	1.040520099	1.133306378	0.960229949	0.7718948	0.839409272	0.781485608	0.576632371	0.841691614	0.631928083	0.558659799	0.911031002	0.828520578	1.133577298	1.270032236	0.904006006	1.278485751	0.837390256	0.958753606	0.919188516	0.577456111	0.841953418	0.599111557	0.655784981	1.928079087	0.648478633	0.541524538	1.068312132	0.724188544
Glucose 6-phosphate	1.285868365	0.826349952	2.931592569	3.191244312	2.918246669	4.660269208	2.174106492	1.69185191	0.168843953	2.303632762	2.778726836	0.706412784	0.470738904	2.497167447	2.722272116	1.026936471	0.589901783	1.120827808	1.229252515	0.585718848	1.163927084	0.129384111	2.361743955	0.3509049	2.834201397	1.766486866	0.918705781	0.238280859	1.371184882	1.372986026	1.059101782	0.129612972	0.541661498	0.380555218	0.461386691	0.685566874	0.510278563	0.829704573	0.945303459	0.601869148	0.509278001	0.48506394	0.179067107	0.186599671	0.169422069	0.400496676	1.005097007	0.897550432	1.217254891	0.445497588	0.39675162	1.897056131	0.46491036	0.713301019	0.843661039	0.678885602	0.238689513	1.034830084	0.37910867	1.4109519	0.285293506	0.498967291	0.238223397	0.54827268
Glutathione	1.23885385	1.30505325	0.929953421	1.076997844	0.94680081	0.624504415	0.608642945	1.5117992	0.680111514	0.547955267	0.357274753	1.775856102	0.839074224	0.753826147	0.934917744	1.048003723	1.109300648	0.859528662	1.52836051	0.546672748	0.369156794	1.273137568	0.901172412	0.908455248	0.475890517	0.603446898	0.697740818	0.732852768	1.035277015	0.753024842	1.155243491	0.797169123	0.64693073	0.610445366	1.398274309	0.757901625	0.900666463	1.971798219	0.953033353	0.947191772	0.669719655	1.020042027	0.799429126	0.635377316	0.983627663	0.906315953	0.450314448	0.466858235	1.065554281	0.918197538	0.266653196	0.783161916	0.685824341	0.87218527	1.262629776	0.510744765	1.452528684	1.294831574	1.220723117	0.31478496	1.763116815	0.839255225	0.942784181	0.994943404
Glyceraldehyde	1.67601241	0.96787896	1.143806466	1.020427819	2.061030293	0.526175606	0.697137502	0.788925228	0.362411612	2.021428062	1.273776071	1.719463166	1.024880425	0.773618281	1.517073813	0.776348678	0.77632494	1.084269072	2.889828167	0.79271488	0.74184123	0.908487724	3.605529766	0.992292892	0.609034597	2.274508626	0.617130652	0.713332429	0.5492898	0.752697806	0.908025974	0.522968368	1.092951808	1.13348574	0.925679552	1.045722842	1.41283726	1.160517527	0.944396585	0.71270761	0.861585911	1.002331029	0.753673643	0.533567146	0.93221076	1.452170012	1.195728104	1.079696965	0.921965736	0.441119788	0.951257421	0.930683942	0.796941585	1.023755704	0.710493379	1.725272821	0.983273468	1.378128336	1.974587498	1.269997947	0.552152581	1.292604312	1.067277871	0.421685511
Glyceraldehyde 3-phosphate	1.053180897	0.920475789	0.588959592	0.71777359	1.16604796	1.01052684	1.465869403	1.369197787	1.424029888	0.628903634	0.736423829	0.873715535	0.427938902	1.825403251	0.526468834	1.518642502	1.870641744	0.95382442	0.591298894	0.418381158	0.870011569	0.536925044	0.871279264	0.84037854	0.869905785	0.591554189	0.985103228	0.449718261	0.912583	1.753889613	1.627802347	0.344869281	1.162026836	0.832765719	0.766211091	0.641022932	0.750134503	1.715102826	1.142907745	1.103664661	0.625216559	0.541765361	0.378862907	0.452723448	0.775869351	0.780142268	1.08663083	1.163663601	0.973603778	0.707083401	2.247348129	0.717170955	0.677839729	1.453130352	0.944186868	0.77643691	0.789560045	1.899686234	0.889311184	1.276318526	0.618114685	1.086948534	0.47503438	0.776361899
Guanidoacetate	0.694790287	0.624834876	0.944857045	0.818775242	0.856368211	1.368452341	0.800965907	0.829576219	0.89180268	0.753815188	0.618899068	0.36921987	0.586335545	0.739302606	0.719131938	0.451860937	0.512078564	1.275263566	0.450538811	0.330656751	0.565585088	0.617701046	0.573972275	0.599969366	0.440990917	0.403875406	0.791606343	1.58819951	0.443069753	1.317730804	0.712776071	1.016094386	1.270797925	1.143017268	1.508983462	1.095522915	0.747882179	1.306143257	0.845301705	2.0269375	0.793057893	0.420343062	0.68844736	1.005927861	0.966546477	0.832295481	1.407912905	1.080756654	1.005538098	2.08569209	1.152159129	1.584108719	0.922272082	1.099511901	0.886572126	1.203283241	1.007884302	1.453284111	1.333224319	1.196277257	1.067080315	0.597476583	2.020333152	0.877534728
Homocysteate	1.039977003	0.317917857	1.038350697	0.68202801	0.330363295	0.473991553	0.339458307	0.70716491	0.799494977	0.783900758	0.678420865	0.438862078	1.398436753	0.862638385	0.359871118	1.561572023	0.171153636	0.808289301	0.436078175	0.597005277	0.417179461	1.352958309	0.323419469	0.921203434	0.309769227	0.198393093	0.670088712	1.930707474	0.29438361	0.749320401	0.644221982	0.928999154	1.710335322	2.184880836	0.896408849	0.711807671	1.247651707	0.250491281	1.064958647	0.369779249	1.62506142	0.34818926	0.807740105	1.29017171	0.833296868	2.865288504	0.683472617	0.846137951	0.893806197	0.418681893	0.523784618	0.788017502	0.932307106	0.562135893	1.159151109	0.595032672	1.363911748	0.629672483	2.152664327	0.404910655	1.73369528	1.378493908	2.057960944	2.486998827
Hydroxyisocaproate	1.407591369	0.588704884	0.892576539	0.670399065	1.674270167	1.031598273	0.822851762	0.680059414	0.568546499	1.617412052	0.848425024	0.342423823	1.40669317	0.897072538	3.068698397	0.522523463	0.519613829	0.854961724	0.526603826	0.478759073	1.943925313	0.358308958	1.828987464	0.666147165	0.714350118	0.53798817	1.127608261	0.647425889	0.849412382	0.691395654	1.127602918	0.791651233	0.528197902	0.464998277	0.603852574	0.867629137	0.88983657	1.609412408	1.062931142	0.812634551	1.142162526	1.036156647	0.830610776	0.641577216	0.917880166	0.694118145	0.677002016	0.914267531	0.865430874	1.033252935	0.847013353	0.6781474	1.36561871	0.845825379	1.037525103	0.732584407	1.027394681	0.706953654	1.046755769	1.207217944	0.866440016	0.987195056	1.826664084	0.889825833
Inosine	1.237615301	0.427560486	0.642841302	0.390714177	1.00746809	1.437178916	0.282674746	1.160992288	0.301370816	0.878405866	0.320668761	1.823166419	0.424034061	0.876116213	2.036262667	0.53580675	0.232525927	0.254628455	2.094497845	0.181489775	1.133799083	0.422634593	1.333004006	0.459012986	0.748190232	3.022361118	1.204471666	0.221252856	1.069017911	0.653404095	1.33597207	0.411605769	0.948290934	1.075409026	2.644498387	1.154989533	1.594874337	0.936159071	1.794604236	0.832346269	1.132526639	0.562089621	1.489694913	0.568041982	0.479477755	0.491670983	0.979471265	1.551486681	1.28470195	0.504445815	0.76560477	1.361412037	0.822523519	1.318152638	1.215345617	0.159142643	0.785805423	0.715916961	0.422965803	1.245037469	0.452166176	0.231792755	0.52367341	0.707720721
Isocitrate	0.946467555	3.455121514	0.955332257	0.254509857	3.431766834	0.695584079	0.586529102	0.586522747	1.13758508	1.351019785	0.299799954	2.819141633	1.067566329	0.339840304	0.988297307	0.760891677	1.391279429	0.449959441	2.028880239	0.937547479	1.202431771	1.28902605	6.300858069	1.611458773	0.577843521	0.527271174	1.856475144	0.245076049	0.997686042	1.200351522	2.414843602	1.301846676	0.422785084	0.243390534	0.562721994	1.02620086	0.968934691	0.879983743	0.787411086	1.423532917	0.657525115	0.736153193	0.61147226	0.785750439	0.747137739	0.913149817	0.377370085	0.312134185	0.414235597	1.057632872	0.625774968	0.263908743	1.083046795	0.596826399	0.66150716	0.398183345	0.360253164	1.006326968	0.403687632	0.600492856	1.104743475	1.793938817	0.142287214	1.197405681
Kynurenine	0.668175418	0.902094444	0.301134386	0.47232578	1.470005983	0.436175343	0.677469755	0.491197919	0.885112499	1.28079246	0.209802202	0.283234242	0.83307063	0.821541455	0.596238937	1.379631724	0.511558667	0.994477438	0.338593091	0.782608752	0.336114862	1.343535636	1.096532822	0.928285607	0.258347549	0.407998459	0.259292493	0.48412224	0.298476761	0.885374374	1.119710513	0.56485378	1.354327105	1.072081067	1.663310852	0.987999556	0.903287862	1.143697268	0.80096841	0.873616226	1.381735072	0.324253685	0.820492954	1.025114174	0.976196159	0.984825073	1.256363752	0.899362612	1.146276736	0.881514653	1.026910201	1.033195047	0.581667963	0.981243263	1.469419149	1.37869723	1.120966875	0.882107988	1.265259536	0.982537637	1.056967728	1.585385154	0.896732096	1.168687644
Lactate	0.895673432	1.032159983	0.905001676	1.337258179	1.447623593	1.423304073	0.870696121	1.124944094	0.767808005	1.106603698	1.3998322	0.658576062	0.781044572	1.399270076	1.297441294	1.351940755	1.216740178	0.835680497	0.8467337	1.210104476	1.30643958	0.579550289	1.147472985	0.687947926	1.178055035	0.886745798	0.82073326	0.662375788	0.714935697	0.730341636	0.828702788	0.601015687	0.839289944	0.88385203	0.836403661	0.774621267	0.854019241	1.086553584	1.166335531	0.700970847	0.793455572	0.709986194	0.755599555	0.732610872	0.594635617	0.63693564	0.982042094	1.254230854	1.187216899	1.05731908	1.008132617	1.402101333	1.008121215	1.105381016	1.224220536	0.79572606	0.880280965	0.743210278	0.713935812	1.384596646	0.601366915	0.601627017	0.771535292	0.575228944
Malonate	0.957941132	0.443180136	0.83590555	0.339475722	1.127684588	1.005996796	0.206041999	0.821519658	0.215598901	1.133433699	0.569293362	0.425513901	0.230204989	0.401452915	1.403866985	0.366262722	0.203254248	0.342796155	0.793251156	0.762307252	1.402330218	0.313543102	0.539709583	0.265369212	0.552034952	0.903119834	1.103053081	2.237416333	0.917232613	0.557815494	2.094747008	0.354000719	0.871281778	0.996547453	4.930159585	1.118975505	0.596527133	0.311586195	2.184712849	3.739515564	1.464622668	0.727567329	0.562136673	0.724272095	0.263853113	0.246663151	1.058317615	1.820421007	1.018020338	0.73329731	1.127897482	1.03169249	1.449380396	1.467464216	1.141234582	0.360761714	1.10852891	0.947730547	0.811513574	1.070055678	0.325003633	0.244579152	0.528579449	0.574515021
Malonyl-coenzyme A	0.498778277	0.515846316	1.12653558	1.414894225	1.026812314	1.373705946	1.53984006	1.938995313	0.305813614	0.716039947	0.702229537	0.685744549	0.829644945	0.697077517	0.817794799	0.536594154	1.648933317	1.147966218	1.618506017	1.065896697	0.413105994	1.751042351	1.247959556	0.534180992	0.870715285	1.301808398	0.353632322	0.60415848	2.086624126	1.052835748	1.474604194	0.882980328	0.557477827	1.176581336	0.365147052	0.107222383	0.314901848	0.990020251	1.982793239	0.981620489	1.767731829	0.90198274	0.617110242	0.323724269	1.572229338	0.387394896	0.566589975	0.562449401	0.79732143	0.689747277	0.870715285	0.283007086	0.836614213	0.229676406	1.048975892	0.551072049	0.801320316	1.761602988	1.61285447	1.25049578	0.722667275	1.511233858	1.666383191	0.495901319
Mevalonate	1.069137832	0.512463598	1.139699709	4.109698935	1.433559826	1.832928002	1.126626785	1.337278411	0.34730376	0.444429982	3.034655295	0.281707541	1.000683876	2.494265077	1.934858753	1.653875422	0.356025346	1.012288063	0.3552067	0.301281617	5.909761505	0.160198229	2.95510765	0.11677734	4.601444327	2.997633238	0.810253812	0.065057506	1.136604765	0.098435804	0.27143641	0.042847235	0.567247699	0.462683246	0.487584474	0.621183355	0.750249616	0.767369232	0.353196377	0.130289852	0.187308318	0.336812014	0.460482318	0.171012943	0.06507323	0.160446645	0.47164986	1.300836884	1.458279265	0.191480411	0.305368926	1.650419783	0.366402136	1.411125472	2.556466203	0.436676192	0.517579129	0.231087482	0.26358347	1.771200361	0.112318628	0.111107224	0.238067211	0.34012406
N-Acetyl-L-Alanine	1.188539734	1.031287611	1.384197746	1.293838008	1.497163521	1.365203477	0.860749693	1.394425725	1.211290726	0.991156722	1.172757438	1.04070513	1.350692232	0.941775869	1.528597774	1.38557453	0.973042329	1.440484934	1.270082205	1.402111816	0.641882774	1.07567526	1.429884116	1.338543928	1.372315226	1.528532843	1.139042037	0.754610218	1.06179545	1.165385554	1.052489789	0.396121149	0.800468673	0.834345963	0.931690469	1.379750707	1.011067209	0.82412634	0.750244761	0.331650394	0.780446975	1.084566425	0.77061644	1.118587875	0.624440185	0.527760004	1.074458875	1.165110527	0.675176004	0.553035101	0.483124996	0.971057115	1.104522628	0.9589134	1.068697488	1.229151344	0.834190751	0.752520053	0.462835919	0.709072252	0.554230691	0.785490912	0.837129345	0.7611958
N-Carbamoyl-L-aspartate	0.376407146	0.403774006	0.233237362	0.406020346	0.533475807	0.228227214	0.467704892	1.633694937	2.258368692	0.231659619	0.378685856	0.355239335	0.27852418	0.645732223	0.109875027	1.829792105	0.693217733	0.44760788	0.32397378	0.313190081	0.209680435	0.228320544	0.204489153	0.574319659	0.282861618	0.129094052	0.928504471	0.93071393	0.603391302	2.174977894	0.838727252	0.79600565	2.369529716	1.706430533	0.404119494	7.269623977	1.614309256	1.107501687	0.987320802	0.724880596	0.769503476	0.553826729	0.696533139	1.574369717	1.189951383	1.124397692	0.336709849	1.377044978	1.54275431	1.352663704	1.634341308	0.239810491	0.572800476	1.121524297	0.990585819	1.039537443	0.881399405	1.677513288	0.912994304	0.750066289	0.573190806	3.414806053	0.672294729	0.803179135
Niacinamide	1.016261389	1.13794894	1.102789627	0.618087142	2.167906809	1.183155906	0.86821394	1.274605398	2.360902817	1.621615644	0.426849492	1.167454749	1.790861418	1.49790096	1.327159678	1.48464119	1.16367727	0.869635595	1.461249688	0.822195374	0.846883164	0.999452761	2.490226261	1.404232241	0.81617087	1.99136055	0.822783845	0.384059011	0.496712092	1.872818432	0.968440534	0.771403959	0.849885308	0.928797979	0.726124339	0.621322478	0.715567457	1.191657748	1.215859929	1.01616212	1.316141746	0.39213478	0.454955712	0.776705548	0.723995736	0.606705495	0.757101283	1.053798398	0.905139938	0.623843151	0.490034994	0.895519225	1.083924908	1.233385273	0.924290142	0.965828028	0.84073715	1.034430302	0.63815445	0.792703291	0.730429939	0.554120966	0.525145412	0.847071744
Oxaloacetate	1.153186234	1.256517058	0.730492656	1.09593943	1.392478411	0.904786838	0.620064017	1.285118728	0.919646617	0.981620376	1.012805413	1.245053458	0.648501305	1.049024206	0.955611178	0.889860493	0.793224118	0.645368925	1.442335815	0.993985143	1.097283252	0.741351195	1.089807616	1.04693479	0.975325086	1.493585574	1.331083903	0.510768717	0.93271343	0.577085177	0.881010452	0.735162719	0.715364344	1.076298222	1.669417021	0.871123074	0.835083506	0.833391092	0.855960002	0.799189746	0.772678497	0.903858539	0.74614247	0.638891719	0.598116506	0.570427218	0.972468342	1.093066127	1.171267623	0.609761194	0.813243875	0.671214985	1.373818529	1.189802346	1.565213477	0.441142176	1.051373156	0.784390499	1.211158917	0.631017917	0.827493106	0.527629321	0.734250479	1.446498628
p-aminobenzoate	0.791968287	0.612738571	1.266053902	0.638070376	1.253366732	1.283738491	0.66723235	1.365165694	0.772840679	0.927442755	0.545665794	0.700749572	0.801309781	0.81967789	2.039618211	0.939636244	0.558848214	0.35483597	0.82473619	0.273364642	0.79632371	0.68461611	0.949368932	0.48422924	0.560064781	0.968951516	0.714158946	0.178146266	0.835715552	0.420450677	0.768643953	0.485855808	1.25339855	1.338913041	2.668371297	1.234317434	1.91161331	0.793010322	1.638925483	1.026290451	1.140157231	0.692535401	1.296026633	1.014304977	0.83273863	0.981870177	0.817435973	1.974589062	0.933014527	0.640273975	1.061251568	1.213151221	1.403083547	1.890299777	0.873304623	0.240583088	1.022356358	1.055786354	1.114106132	1.153516836	0.57337094	0.386478615	0.487073422	0.843564707
Phenyllactic acid	0.616072455	0.558141605	0.415248381	1.013548986	1.60073979	0.892541636	0.562175789	0.460306541	0.484037057	1.501796556	1.571763114	0.533210527	2.034687665	1.185950814	2.867356032	0.514700849	0.62504841	0.954397519	0.644039347	1.125104303	1.435087378	0.517547332	1.655280467	0.593426762	1.083027226	0.424349312	0.687978641	0.310188608	0.66141086	0.40359124	0.624671967	0.631483143	0.86430559	0.879948515	0.391131466	0.515043931	0.637558748	0.955719313	0.875683105	0.751936571	0.82877964	0.878777075	0.669471156	0.738349552	0.646198304	0.71193045	0.820344405	0.746576047	0.689400244	0.507099581	0.975644569	1.030141366	0.792538584	0.736237637	0.658037913	0.425237766	0.886370973	0.5322472	0.822038843	1.066808708	0.639053042	0.824791276	1.286195111	0.571317451
Pyroglutamate	0.81490074	1.765064319	0.868406472	1.150669939	0.980068743	0.680804102	0.317283986	1.099773334	1.688986359	0.571896835	1.085693893	1.367612756	0.983094048	0.656971452	0.753047819	1.686568118	1.067270152	0.69217973	1.160170986	0.445576155	0.566982985	1.089001718	0.528516648	1.51636465	0.730466521	0.612180441	1.541550688	0.593894575	1.117857836	0.903528279	1.65184395	1.284184733	0.818363108	0.725828181	2.214387235	1.399907297	1.199198143	0.838516386	0.779492394	0.663320357	0.909552017	0.932055103	0.902177007	1.131514832	1.258150515	1.171181555	0.74738523	0.70825191	1.902582922	0.793708658	0.615179679	1.161477391	0.834217969	0.651223474	1.180682782	0.638195389	1.754789249	1.716227856	0.837867208	0.507189577	1.806051701	0.690080015	1.320611037	1.490994806
S-adenosyl-L-homocysteine	1.077608409	1.39667481	1.192479582	0.747923011	1.545736707	1.403025828	0.853640902	1.133600034	0.81700527	1.187241142	0.604472119	0.680275643	0.699837589	0.598581288	2.105587467	0.908252496	0.487833201	0.454634602	0.978086006	0.435683853	0.758635374	0.702004759	0.972077389	1.312250643	1.040571628	1.205779248	0.783964461	0.745632537	0.745170438	0.821715864	0.659686901	0.586492024	0.727487589	0.700349938	1.470171967	1.153655818	1.007599845	0.453523293	1.173367253	0.87126671	0.89629765	0.658246323	1.291434339	1.28544553	0.980675025	0.706704516	0.87371048	1.527260344	0.943357945	0.889876728	1.092870482	0.902786747	0.679744962	0.849480141	1.31141605	0.931197744	0.807334991	0.865879636	0.405002195	0.62908235	0.903126487	0.342750665	0.921525082	0.712208026
Succinate	0.959713758	1.406867552	0.559744718	1.040570577	1.501751817	1.056085803	0.773887119	1.146413977	0.83899866	1.014834914	1.202073164	1.392768123	0.630790001	0.752157815	0.799096598	0.700610117	0.746083275	0.830881388	0.815911879	0.616328417	1.405699515	0.580606855	1.094347669	0.443802028	0.779650011	0.374223601	1.623620507	0.185506477	0.638606514	0.667496334	1.227962865	1.044539897	1.254787518	1.348030158	1.626336907	1.300072793	2.87907467	0.906876558	1.161249088	0.728201504	1.119188431	0.76338819	0.815912734	0.800540897	1.066339087	1.090851299	1.007016241	0.964464735	0.736432189	0.412974455	0.780770072	0.639093722	1.324372862	1.445570957	1.28685841	0.359976042	1.383714638	1.839997896	1.455670325	0.571103117	1.117353473	0.976539489	0.283015197	1.068475822
Taurodeoxycholate	0.245219191	0.495468183	0.284761849	0.205090377	0.563081399	0.025777532	0.137362184	0.092702922	0.343193217	0.592767216	0.212454554	0.163325416	0.262192848	0.087840266	0.23751826	0.147828218	0.039974605	1.29709022	0.19262869	1.401992141	0.066059864	0.552076807	0.603639868	0.569578726	0.344055231	0.293743473	0.433219769	0.971264568	0.408134914	0.207295268	1.057075222	3.265515129	0.312611648	0.431508101	0.155794999	0.093312865	0.75708318	2.13709598	7.496597396	0.191455666	0.317136839	0.522266573	0.933684283	0.319468566	3.86261762	0.622172445	0.354914896	0.100881693	0.124159976	4.67794328	1.027560425	0.301401152	0.332721595	0.124882005	0.098261892	0.094235948	0.059737234	0.213071303	0.150985281	0.665753682	1.133324595	1.37179957	11.84787046	0.167003032
Thiamine Pyrophosphate	0.906515237	1.376498984	1.039050789	1.261037912	0.956659675	1.350462885	1.002766422	1.29033887	0.433267609	1.566950037	0.613145846	0.902631033	0.967046316	1.086268984	2.067571613	0.678399861	0.740226484	1.430308173	1.234431236	1.331779098	0.852699565	0.830690448	1.20078067	1.495149137	1.951199373	0.971101042	1.033200308	0.649959435	1.082677113	1.789420325	2.165175121	0.440045294	1.984897069	1.73887746	0.826008594	1.407136365	0.582240029	0.711727675	0.904293995	0.450990086	0.845968253	1.029654281	0.584258438	0.457050151	0.850986274	0.532582823	1.426239351	0.682358277	0.846990205	0.220384245	0.647939419	1.277415326	0.848796998	1.044453844	0.969594525	0.964977242	0.789777425	0.944359109	0.665990283	0.716680305	0.529154581	0.951791254	0.610855005	0.988718429
Thymidine	2.371731287	0.917862487	3.536442804	2.269472949	2.259454012	3.937678082	1.642675397	1.244970325	0.151105351	1.860666042	2.493154445	1.077300064	0.476438142	2.00269397	2.393306716	1.029526585	1.083354714	0.995407862	1.209584469	0.651061442	1.146361097	0.237564658	2.922493003	0.290039765	2.477136493	1.584152511	1.067241771	0.280807986	1.663365243	0.749933591	0.966812428	0.193438404	0.594735164	0.426713152	0.50470256	0.583623501	0.485161302	1.247520143	1.247093659	0.75501914	0.498793515	0.548695804	0.218712393	0.262088233	0.201141999	0.335181508	0.917824481	0.562279161	1.120907676	1.166520586	0.36009253	1.238388223	0.513413596	0.632000823	0.866581711	0.460903622	0.38579364	0.871800889	0.412107765	1.040394171	0.43383511	0.422631028	0.311197657	0.553101032
Uracil	3.689424863	0.28265379	0.970830845	0.325803441	3.070597078	1.510282301	0.474961102	0.548921469	0.457542871	1.4922425	0.287077269	0.116951198	0.556486278	0.609066859	2.868783352	0.226144344	0.119430089	0.124434845	0.141909261	0.06382871	1.302746635	0.15585281	0.830466194	0.118951453	0.305141728	0.272588403	0.274681486	0.116303371	0.270797035	0.217890041	0.943602192	0.373443089	1.75277999	1.751114604	1.94649714	0.953407253	3.719827904	0.66972905	1.94598553	1.634889875	0.653216768	0.177999181	2.344952519	1.221681019	0.38638584	0.598495005	0.500543452	2.388987125	0.857698774	0.521098001	0.704097414	0.747410364	1.725672923	2.134392992	0.947433331	0.11741613	0.721835064	0.641062301	0.371965305	0.654532738	0.38321266	0.226069213	0.472452594	0.516244045
Uridine 5'-diphosphate	1.202407265	1.405110657	1.153264646	1.461182265	4.94125256	0.513406588	1.648309276	3.510126765	1.006203987	2.125171187	1.494122666	0.85582522	1.141164732	2.377556455	1.135382934	3.079732586	1.138219703	1.591751634	1.66351282	1.363992374	1.785823145	0.777250785	2.844529082	2.332915373	0.958692835	1.278336714	0.528635233	1.035529408	1.838515889	1.088794845	0.946610833	0.689895095	0.326044088	0.291371545	0.295823143	0.866826833	1.16438961	1.192019731	1.007914851	1.150313125	0.738505383	1.332433215	0.246744394	0.800076996	1.229597548	0.285624902	0.420330089	0.548394752	1.323322146	1.345026782	0.628019901	0.358115399	0.618860951	0.405603169	0.82775663	3.143100897	1.295165902	0.806219985	0.945968015	0.447458503	1.195841994	1.133712098	1.025838701	0.398777475
Xanthosine	0.950270857	0.644107231	0.628501229	0.452272813	0.479669292	1.443147678	0.322886764	1.160721124	0.120535084	0.342143953	0.197409581	0.211674073	0.464741835	0.566207555	1.723041876	0.31010916	0.172681431	0.292666962	0.247486996	0.186789261	0.974364921	0.197191441	0.631376884	0.311873372	0.681587363	0.387057292	1.21611667	0.579995377	1.186517615	0.684183614	1.014714465	0.519842009	0.882841738	0.894638682	2.827224578	1.057826962	1.86277779	0.988660386	2.27902766	1.995398959	2.149156342	0.630961157	1.307720908	0.316839986	0.523686269	0.81683028	1.22296461	2.280735716	2.914537326	0.884412596	1.223483452	3.309017607	0.770574931	1.39485347	2.078789389	0.292066973	0.603969069	1.238092568	1.100554959	2.450175775	0.74750265	0.230155618	0.742456447	1.295765268
Xanthurenate	1.149955868	0.586181766	0.790933617	0.323395203	0.87808011	1.207953824	0.916212422	0.311440612	0.607490035	0.792453857	0.31688936	0.383550724	0.688034716	0.942399618	1.937185309	0.524312146	0.759621915	0.697811181	0.583880601	0.650354101	0.519605985	0.364792665	0.89785322	0.807649164	0.448403587	0.657887284	1.112192796	1.073934359	0.57955965	0.476328671	1.099213418	1.04921655	1.04281593	1.075252443	0.788497907	1.504962291	1.569882991	0.82510357	1.27410832	1.010223838	1.124551909	0.862234995	0.965903989	1.212286434	1.553832224	1.097007719	0.995117343	0.709952423	0.646120891	0.728115508	1.165010185	0.571611777	1.119790972	1.069508565	1.320462966	0.915750016	1.567693569	1.179196236	0.721220389	0.727764845	1.466468197	1.528576534	1.021851837	1.444815576
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG	HMDB
2-hydroxy-2-methylbutyrate	-	HMDB0001987
2-hydroxyglutarate	C02630	HMDB0059655
3-methyl-2-oxobutyrate	C00141	HMDB0000019
3-phosphoglycerate	C00597	HMDB0000807
Acetyl-coA	C00024	HMDB0001206
Adenosine diphosphate	C00008	HMDB0001341
Adenosine triphosphate	C00002	HMDB0000538
Arginosuccinate	C03406	HMDB0000052
Biotin	C00120	HMDB0000030
Cholesterol sulfate	C18043	HMDB0000653
Citraconate	C02226	HMDB0000634
Deoxycholate	C04483	HMDB0000626
Erythrose 4-phosphate	C00279	HMDB0001321
Fructose 1,6-bisphosphate	C05378	HMDB0001058
Fructose 6-phosphate	C00085	HMDB0000124
Glucose	C00031	-
Glucose 6-phosphate	C00092	HMDB0001401
Glutathione	C00051	HMDB0062697
Glyceraldehyde	C02154	HMDB0001051
Glyceraldehyde 3-phosphate	C00118	HMDB0001112
Guanidoacetate	C00581	HMDB0000128
Homocysteate	C16511	HMDB0002205
Hydroxyisocaproate	-	HMDB0000746
Inosine	C00294	HMDB0000195
Isocitrate	C00311	HMDB0000193
Kynurenine	C00328	HMDB0000684
Lactate	C00186	HMDB0000190
Malonate	C00383	-
Malonyl-coenzyme A	C03188	HMDB0001175
Mevalonate	C00418	HMDB0000227
N-Acetyl-L-Alanine	-	HMDB0000766
N-Carbamoyl-L-aspartate	C00438	HMDB0000828
Niacinamide	C00153	HMDB0001406
Oxaloacetate	C00036	HMDB0000223
p-aminobenzoate	C00568	HMDB0001392
Phenyllactic acid	C01479	HMDB0000779
Pyroglutamate	C01879	HMDB0000267
S-adenosyl-L-homocysteine	C00021	HMDB0000939
Succinate	C00042	HMDB0000254
Taurodeoxycholate	C05463	HMDB0000896
Thiamine Pyrophosphate	C00068	HMDB0001372
Thymidine	C00214	HMDB0000273
Uracil	C00106	HMDB0000300
Uridine 5'-diphosphate	C00015	HMDB0000295
Xanthosine	C01762	HMDB0000299
Xanthurenate	C02470	HMDB0000881
METABOLITES_END
#END