#METABOLOMICS WORKBENCH bhun7404_20240505_173231 DATATRACK_ID:4817 STUDY_ID:ST003274 ANALYSIS_ID:AN005361 PROJECT_ID:PR002031
VERSION             	1
CREATED_ON             	June 19, 2024, 4:07 pm
#PROJECT
PR:PROJECT_TITLE                 	Diabetic ischaemic cardiomyopathy: Characterising the left ventricular
PR:PROJECT_TITLE                 	myocardial molecular profile in advanced human heart failure
PR:PROJECT_TYPE                  	Human heart failure left ventricular myocardial multi-omics study across
PR:PROJECT_TYPE                  	multiple disease phenotypes
PR:PROJECT_SUMMARY               	Ischaemic cardiomyopathy (ICM) is the most common cause of heart failure (HF)
PR:PROJECT_SUMMARY               	and often coexists with diabetes mellitus (DM). Yet, their combined effects are
PR:PROJECT_SUMMARY               	seldom investigated and are poorly understood. Herein, we performed multi-omic
PR:PROJECT_SUMMARY               	analyses of end-stage ICM with DM (ICM-DM) against ICM-No DM, non-ischaemic
PR:PROJECT_SUMMARY               	(dilated) cardiomyopathy with DM (NICM-DM), NICM-No DM, and healthy age-matched
PR:PROJECT_SUMMARY               	donors (AMD). Tissue was sourced from pre-mortem human left ventricular
PR:PROJECT_SUMMARY               	myocardium. Though fatty acid oxidation (FAO) proteins were down-regulated in
PR:PROJECT_SUMMARY               	ICM-DM relative to AMD and other HF, the unique ICM-DM down-regulation of
PR:PROJECT_SUMMARY               	acylcarnitines, perilipin, and ketone body, amino acid, and glucose metabolising
PR:PROJECT_SUMMARY               	proteins indicated FAO may not be entirely impaired. Oxidative phosphorylation
PR:PROJECT_SUMMARY               	appeared reduced in HF but exacerbated in ICM-DM, consistent with purportedly
PR:PROJECT_SUMMARY               	increased oxidative stress. Extracellular matrix proteins including collagens
PR:PROJECT_SUMMARY               	were up-regulated principally in ICM-DM despite the absence of macroscopic scar
PR:PROJECT_SUMMARY               	tissue. These findings were supported histologically and in metabolomic and RNA
PR:PROJECT_SUMMARY               	sequencing analyses.
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                   	Metabolomics analysis within healthy donors and end-stage heart failure with a
ST:STUDY_TITLE                   	focus on ischaemic cardiomyopathy with diabetes
ST:STUDY_TYPE                    	Human heart failure left ventricular myocardial metabolomics study across
ST:STUDY_TYPE                    	multiple disease phenotypes.
ST:STUDY_SUMMARY                 	This study involves the analysis of water soluble metabolites within healthy and
ST:STUDY_SUMMARY                 	human heart failure conditions with a focus on ischaemic cardiomyopathy with
ST:STUDY_SUMMARY                 	diabetes and is part of a project which also integrates lipidomics, proteomics,
ST:STUDY_SUMMARY                 	RNA-seq, and histological analyses to identify molecular mechanisms influencing
ST:STUDY_SUMMARY                 	disease phenotypes. Ischaemic cardiomyopathy (ICM) is the most common cause of
ST:STUDY_SUMMARY                 	heart failure (HF) and often coexists with diabetes mellitus (DM). Yet, their
ST:STUDY_SUMMARY                 	combined effects are seldom investigated and are poorly understood. Herein, we
ST:STUDY_SUMMARY                 	performed multi-omic analyses of end-stage ICM with DM (ICM-DM) against ICM-No
ST:STUDY_SUMMARY                 	DM, non-ischaemic (dilated) cardiomyopathy with DM (NICM-DM), NICM-No DM, and
ST:STUDY_SUMMARY                 	healthy age-matched donors (AMD). Tissue was sourced from pre-mortem human left
ST:STUDY_SUMMARY                 	ventricular myocardium. Though fatty acid oxidation (FAO) proteins were
ST:STUDY_SUMMARY                 	down-regulated in ICM-DM relative to AMD and other HF, the unique ICM-DM
ST:STUDY_SUMMARY                 	down-regulation of acylcarnitines, perilipin, and ketone body, amino acid, and
ST:STUDY_SUMMARY                 	glucose metabolising proteins indicated FAO may not be entirely impaired.
ST:STUDY_SUMMARY                 	Oxidative phosphorylation appeared reduced in HF but exacerbated in ICM-DM,
ST:STUDY_SUMMARY                 	consistent with purportedly increased oxidative stress. Extracellular matrix
ST:STUDY_SUMMARY                 	proteins including collagens were up-regulated principally in ICM-DM despite the
ST:STUDY_SUMMARY                 	absence of macroscopic scar tissue. These findings were supported histologically
ST:STUDY_SUMMARY                 	and in metabolomic and RNA sequencing analyses.
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:AGE_OR_AGE_RANGE              	21-66 years
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           	ICMDM_1	1	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=41; BMI=NA; Run position=5; RAW_FILE_NAME(Raw file name)=5_1
SUBJECT_SAMPLE_FACTORS           	ICMDM_2	2	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=45; BMI=NA; Run position=6; RAW_FILE_NAME(Raw file name)=6_2
SUBJECT_SAMPLE_FACTORS           	ICMDM_3	3	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:F	Age=46; BMI=NA; Run position=16; RAW_FILE_NAME(Raw file name)=16_3
SUBJECT_SAMPLE_FACTORS           	ICMDM_4	4	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=49; BMI=NA; Run position=17; RAW_FILE_NAME(Raw file name)=17_4
SUBJECT_SAMPLE_FACTORS           	ICMDM_5	5	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=50; BMI=NA; Run position=27; RAW_FILE_NAME(Raw file name)=27_5
SUBJECT_SAMPLE_FACTORS           	ICMDM_6	6	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=51; BMI=NA; Run position=28; RAW_FILE_NAME(Raw file name)=28_6
SUBJECT_SAMPLE_FACTORS           	ICMDM_7	7	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=51; BMI=NA; Run position=38; RAW_FILE_NAME(Raw file name)=38_7
SUBJECT_SAMPLE_FACTORS           	ICMDM_8	8	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=53; BMI=35.3; Run position=39; RAW_FILE_NAME(Raw file name)=39_8
SUBJECT_SAMPLE_FACTORS           	ICMDM_9	9	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=55; BMI=24.1; Run position=49; RAW_FILE_NAME(Raw file name)=49_9
SUBJECT_SAMPLE_FACTORS           	ICMDM_10	10	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=56; BMI=34.1; Run position=50; RAW_FILE_NAME(Raw file name)=50_10
SUBJECT_SAMPLE_FACTORS           	ICMDM_11	11	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=56; BMI=29.7; Run position=7; RAW_FILE_NAME(Raw file name)=7_11
SUBJECT_SAMPLE_FACTORS           	ICMDM_12	12	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=59; BMI=NA; Run position=8; RAW_FILE_NAME(Raw file name)=8_12
SUBJECT_SAMPLE_FACTORS           	ICMDM_13	13	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=59; BMI=NA; Run position=18; RAW_FILE_NAME(Raw file name)=18_13
SUBJECT_SAMPLE_FACTORS           	ICMDM_14	14	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Age=65; BMI=NA; Run position=19; RAW_FILE_NAME(Raw file name)=19_14
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_1	15	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=41; BMI=22.9; Run position=29; RAW_FILE_NAME(Raw file name)=29_15
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_2	16	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Age=42; BMI=NA; Run position=30; RAW_FILE_NAME(Raw file name)=30_16
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_3	17	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Age=43; BMI=23.5; Run position=40; RAW_FILE_NAME(Raw file name)=40_17
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_4	18	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=45; BMI=32.7; Run position=41; RAW_FILE_NAME(Raw file name)=41_18
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_5	19	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Age=47; BMI=NA; Run position=51; RAW_FILE_NAME(Raw file name)=51_19
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_6	20	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Age=48; BMI=30.9; Run position=52; RAW_FILE_NAME(Raw file name)=52_20
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_7	21	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Age=49; BMI=NA; Run position=9; RAW_FILE_NAME(Raw file name)=9_21
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_8	22	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=50; BMI=NA; Run position=10; RAW_FILE_NAME(Raw file name)=10_22
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_9	23	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=50; BMI=28.7; Run position=20; RAW_FILE_NAME(Raw file name)=20_23
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_10	24	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=54; BMI=NA; Run position=21; RAW_FILE_NAME(Raw file name)=21_24
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_11	25	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=54; BMI=NA; Run position=31; RAW_FILE_NAME(Raw file name)=31_25
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_12	26	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Age=54; BMI=NA; Run position=32; RAW_FILE_NAME(Raw file name)=32_26
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_13	27	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Age=62; BMI=NA; Run position=42; RAW_FILE_NAME(Raw file name)=42_27
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_14	28	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=62; BMI=26.1; Run position=43; RAW_FILE_NAME(Raw file name)=43_28
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_15	29	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=62; BMI=20.7; Run position=53; RAW_FILE_NAME(Raw file name)=53_29
SUBJECT_SAMPLE_FACTORS           	ICMNoDM_16	30	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Age=66; BMI=23.2; Run position=55; RAW_FILE_NAME(Raw file name)=55_30
SUBJECT_SAMPLE_FACTORS           	NICMDM_1	31	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Age=22; BMI=20.4; Run position=11; RAW_FILE_NAME(Raw file name)=11_31
SUBJECT_SAMPLE_FACTORS           	NICMDM_2	32	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Age=31; BMI=NA; Run position=12; RAW_FILE_NAME(Raw file name)=12_32
SUBJECT_SAMPLE_FACTORS           	NICMDM_3	33	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Age=53; BMI=NA; Run position=22; RAW_FILE_NAME(Raw file name)=22_33
SUBJECT_SAMPLE_FACTORS           	NICMDM_4	34	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Age=56; BMI=31.3; Run position=23; RAW_FILE_NAME(Raw file name)=23_34
SUBJECT_SAMPLE_FACTORS           	NICMDM_5	35	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Age=56; BMI=NA; Run position=33; RAW_FILE_NAME(Raw file name)=33_35
SUBJECT_SAMPLE_FACTORS           	NICMDM_6	36	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Age=58; BMI=25.6; Run position=35; RAW_FILE_NAME(Raw file name)=35_36
SUBJECT_SAMPLE_FACTORS           	NICMDM_7	37	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Age=59; BMI=NA; Run position=45; RAW_FILE_NAME(Raw file name)=45_37
SUBJECT_SAMPLE_FACTORS           	NICMDM_8	38	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Age=61; BMI=24.5; Run position=46; RAW_FILE_NAME(Raw file name)=46_38
SUBJECT_SAMPLE_FACTORS           	NICMDM_9	39	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Age=63; BMI=19.2; Run position=56; RAW_FILE_NAME(Raw file name)=56_39
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_1	40	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Age=43; BMI=NA; Run position=57; RAW_FILE_NAME(Raw file name)=57_40
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_2	41	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=43; BMI=NA; Run position=13; RAW_FILE_NAME(Raw file name)=13_41
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_3	104	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=44; BMI=NA; Run position=122; RAW_FILE_NAME(Raw file name)=122_104
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_4	42	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=45; BMI=34.4; Run position=15; RAW_FILE_NAME(Raw file name)=15_42
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_5	43	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=49; BMI=26.4; Run position=25; RAW_FILE_NAME(Raw file name)=25_43
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_6	44	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Age=50; BMI=NA; Run position=26; RAW_FILE_NAME(Raw file name)=26_44
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_7	45	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=51; BMI=23.5; Run position=36; RAW_FILE_NAME(Raw file name)=36_45
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_8	46	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Age=53; BMI=NA; Run position=37; RAW_FILE_NAME(Raw file name)=37_46
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_9	47	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=53; BMI=28.2; Run position=47; RAW_FILE_NAME(Raw file name)=47_47
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_10	48	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=54; BMI=26.6; Run position=48; RAW_FILE_NAME(Raw file name)=48_48
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_11	49	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=54; BMI=NA; Run position=58; RAW_FILE_NAME(Raw file name)=58_49
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_12	50	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=55; BMI=NA; Run position=59; RAW_FILE_NAME(Raw file name)=59_50
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_13	51	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=56; BMI=18.1; Run position=60; RAW_FILE_NAME(Raw file name)=60_51
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_14	52	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Age=58; BMI=NA; Run position=61; RAW_FILE_NAME(Raw file name)=61_52
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_15	53	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=58; BMI=22.6; Run position=71; RAW_FILE_NAME(Raw file name)=71_53
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_16	54	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Age=60; BMI=NA; Run position=72; RAW_FILE_NAME(Raw file name)=72_54
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_17	55	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=62; BMI=NA; Run position=82; RAW_FILE_NAME(Raw file name)=82_55
SUBJECT_SAMPLE_FACTORS           	NICMNoDM_18	56	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Age=52; BMI=22.5; Run position=83; RAW_FILE_NAME(Raw file name)=83_56
SUBJECT_SAMPLE_FACTORS           	Donor_1	91	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=21; BMI=NA; Run position=69; RAW_FILE_NAME(Raw file name)=69_91
SUBJECT_SAMPLE_FACTORS           	Donor_2	92	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=23; BMI=NA; Run position=70; RAW_FILE_NAME(Raw file name)=70_92
SUBJECT_SAMPLE_FACTORS           	Donor_3	93	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=23; BMI=25.7; Run position=80; RAW_FILE_NAME(Raw file name)=80_93
SUBJECT_SAMPLE_FACTORS           	Donor_4	94	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=25; BMI=NA; Run position=81; RAW_FILE_NAME(Raw file name)=81_94
SUBJECT_SAMPLE_FACTORS           	Donor_5	95	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=47; BMI=NA; Run position=90; RAW_FILE_NAME(Raw file name)=90_95
SUBJECT_SAMPLE_FACTORS           	Donor_6	96	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=47; BMI=NA; Run position=91; RAW_FILE_NAME(Raw file name)=91_96
SUBJECT_SAMPLE_FACTORS           	Donor_7	97	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=48; BMI=23.1; Run position=99; RAW_FILE_NAME(Raw file name)=99_97
SUBJECT_SAMPLE_FACTORS           	Donor_8	98	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=49; BMI=NA; Run position=100; RAW_FILE_NAME(Raw file name)=100_98
SUBJECT_SAMPLE_FACTORS           	Donor_9	99	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=51; BMI=NA; Run position=108; RAW_FILE_NAME(Raw file name)=108_99
SUBJECT_SAMPLE_FACTORS           	Donor_10	100	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=53; BMI=NA; Run position=109; RAW_FILE_NAME(Raw file name)=109_100
SUBJECT_SAMPLE_FACTORS           	Donor_11	101	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=53; BMI=NA; Run position=110; RAW_FILE_NAME(Raw file name)=110_101
SUBJECT_SAMPLE_FACTORS           	Donor_12	102	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=54; BMI=NA; Run position=111; RAW_FILE_NAME(Raw file name)=111_102
SUBJECT_SAMPLE_FACTORS           	Donor_13	103	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=54; BMI=27.3; Run position=121; RAW_FILE_NAME(Raw file name)=121_103
SUBJECT_SAMPLE_FACTORS           	Donor_14	105	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=55; BMI=18.4; Run position=132; RAW_FILE_NAME(Raw file name)=132_105
SUBJECT_SAMPLE_FACTORS           	Donor_15	106	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=56; BMI=NA; Run position=133; RAW_FILE_NAME(Raw file name)=133_106
SUBJECT_SAMPLE_FACTORS           	Donor_16	107	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=60; BMI=26.1; Run position=143; RAW_FILE_NAME(Raw file name)=143_107
SUBJECT_SAMPLE_FACTORS           	Donor_17	108	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=62; BMI=33.9; Run position=145; RAW_FILE_NAME(Raw file name)=145_108
SUBJECT_SAMPLE_FACTORS           	Donor_18	109	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=62; BMI=NA; Run position=155; RAW_FILE_NAME(Raw file name)=155_109
SUBJECT_SAMPLE_FACTORS           	Donor_19	110	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Age=65; BMI=NA; Run position=156; RAW_FILE_NAME(Raw file name)=156_110
SUBJECT_SAMPLE_FACTORS           	Donor_20	111	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Age=65; BMI=NA; Run position=112; RAW_FILE_NAME(Raw file name)=112_111
#COLLECTION
CO:COLLECTION_SUMMARY            	Donated human myocardium. Refer to uploaded acquisition methods.
CO:COLLECTION_PROTOCOL_FILENAME  	IHD-DM_paper_metabolomics_methods.pdf
CO:SAMPLE_TYPE                   	Heart
CO:STORAGE_CONDITIONS            	Described in summary
#TREATMENT
TR:TREATMENT_SUMMARY             	Non-diseased/healthy donor left ventricular human myocardial tissue was compared
TR:TREATMENT_SUMMARY             	the left ventricle of heart failure phenotypes; ischaemic cardiomyopathy with
TR:TREATMENT_SUMMARY             	diabetes (ICM-DM), ischaemic cardiomyopathy without diabetes (ICM-No DM),
TR:TREATMENT_SUMMARY             	non-ischaemic cardiomyopathy with diabetes (NICM-DM), and non-ischaemic
TR:TREATMENT_SUMMARY             	cardiomyopathy without diabetes (NICM-No DM).
TR:TREATMENT_PROTOCOL_FILENAME   	IHD-DM_paper_metabolomics_methods.pdf
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Refer to the uploaded methods file.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	IHD-DM_paper_metabolomics_methods.pdf
#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 2.1mm,3.5um)
CH:SOLVENT_A                     	95% water/5% acetonitrile; 20mM ammonium acetate; 20mM ammonium hydroxide (pH
CH:SOLVENT_A                     	9.0)
CH:SOLVENT_B                     	100% acetonitrile
CH:FLOW_GRADIENT                 	The HPLC gradient program is initialized with an initial mobile phase
CH:FLOW_GRADIENT                 	composition of 15% solvent A and 85% solvent B at a flow rate of 0.25 mL/min.
CH:FLOW_GRADIENT                 	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
CH:METHODS_FILENAME              	IHD-DM_paper_HPLC_settings.pdf
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	IHD-DM_paper_metabolomics_methods.pdf
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 5500 QTrap
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
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	91	100	101	102	103	105	106	107	108	109	110	92	111	93	94	95	96	97	98	99	1	10	11	12	13	14	2	3	4	5	6	7	8	9	15	24	25	26	27	28	29	30	16	17	18	19	20	21	22	23	31	32	33	34	35	36	37	38	39	40	48	49	50	51	52	53	54	55	56	41	104	42	43	44	45	46	47
Factors	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:M	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:Donor | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:ICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:F	Sample source:Human left ventricular myocardium | Condition:NICM-No DM | Sex:M
2-Aminoadipate	16.0358062	15.80532265	15.85874851	15.6434568	15.55350183	15.34919993	15.69876179	16.03174149	15.87575283	15.93858421	15.96170204	16.10100257	15.82838408	16.02425852	16.13184012	16.23049827	15.71963058	15.9433551	16.06227003	15.79417016	15.77579721	15.85592225	15.7115902	15.81346951	15.7585695	15.57031813	15.25113526	15.91505115	15.83929371	15.57563077	15.94384927	16.01559078	15.67391267	15.69732956	15.77660974	15.92137802	15.83453864	15.81672374	16.04968507	15.56553892	15.88830175	15.57660326	15.87006089	16.47764505	15.59224485	15.8020872	15.89453972	15.31439911	15.60048927	15.58962486	15.93621072	16.31085933	15.42959025	15.9849665	15.77747332	16.01185314	15.90755004	15.83471606	16.12920739	15.50221106	16.14855988	15.72057312	15.90767672	15.97096815	15.60746366	15.98003879	15.98711782	15.68338437	15.31075886	15.65779805	15.65778695	15.99261786	15.43675204	15.68060031	16.10746621	15.52903755	16.16192749
2-Hydroxy-2-methylbutyrate	17.09531946	17.53647511	17.92607775	16.70230357	17.71025738	17.26673094	17.23717615	17.21830979	17.0385317	16.74897569	16.94793256	17.38320572	17.7074656	17.34889406	16.45168798	16.92435533	16.98771193	17.33807072	17.52029424	17.66365831	16.81773095	17.03582082	17.27941587	17.23740694	17.64799598	17.34984043	17.41162225	17.19284954	17.97705397	17.28565722	17.58387595	16.53145219	17.13181497	16.70409843	17.0229512	17.65398132	17.1958344	16.63561306	17.31349157	17.13496842	17.41024776	16.81054426	17.39137814	17.19172897	17.33070292	17.03648995	17.35596603	17.2102449	17.13756672	16.94132456	17.31022823	17.35439492	18.96557325	17.660676	17.24411351	17.33899185	17.7219535	16.94790208	17.42818402	17.96852971	16.77477011	16.77193421	16.78090884	17.20862613	17.69827538	17.36335007	17.19843609	17.60920844	17.46432352	17.18720785	16.84939947	16.96092546	17.45976236	17.45802999	17.61726885	17.25215311	16.75217307
2-Hydroxyglutarate	20.74763962	20.23282061	20.53678053	20.91824894	20.32544496	20.52409986	20.7913884	20.6372812	21.0193545	21.00805804	20.90784669	20.68359223	20.94689266	20.59526119	20.39790079	21.010172	20.72899002	21.44125044	20.77591192	21.20740572	21.34920422	20.90348517	21.18394467	21.10898508	20.94553689	20.8125271	21.28747271	20.24415199	21.33747705	21.18830796	21.08188306	20.68286318	20.92722845	20.46203489	21.06135168	20.97883382	21.03106966	20.69370131	20.7844486	21.1187308	20.65515929	20.87774002	21.23619194	21.10110057	20.79543264	20.95929226	21.23273541	21.224689	21.29659501	20.84019816	20.98194002	20.42033299	21.19779656	20.63302952	20.85225649	20.84133401	21.29376567	20.7048957	20.59211973	20.85970681	21.19316434	20.9945603	20.91763145	20.80919565	20.66233409	21.02997738	21.06060222	21.04872957	20.88571846	21.26304473	21.2545947	20.93858915	21.22678069	20.9155707	20.91496512	20.63606738	20.58747161
2-Isopropylmalate	18.8047429	18.05727848	18.18069309	19.01169651	19.572752	19.35337978	20.04210144	18.51507545	20.06232951	20.82801992	20.40136221	19.85958187	19.80927126	18.59216323	17.95941651	19.02705808	19.45499299	17.85290471	21.67689422	19.43340377	18.37503146	19.22132302	18.09436341	19.99440241	19.44819688	19.89077276	20.15024261	21.08382779	17.81187833	20.97993947	20.40994227	19.67984239	19.24579802	19.93478503	21.17558287	19.45775067	19.09822248	18.25635648	19.89161215	20.38468142	20.44158194	20.82084794	20.25052767	19.33235486	19.35649123	21.79008445	19.99464512	19.86663746	19.95996382	17.6451678	20.21219771	21.24172109	17.58133745	17.79435028	20.0414614	20.225947	19.55525358	18.66673984	18.93413637	20.56329985	21.06839305	20.10549534	19.95436499	19.87892199	17.65623032	20.90646884	21.51135774	20.82981422	18.87595162	19.18319366	20.78791139	19.57380868	20.92664915	20.52282252	19.95460558	20.61998985	19.58039071
2-Ketohexanoate	14.33388643	14.17907062	14.74764835	14.388365	14.57363088	14.39945088	14.51152595	14.82234193	14.6127236	14.61472258	14.47234539	14.52572449	14.71682328	14.19665924	14.2952911	14.67786716	14.22503542	14.92261341	14.87765831	14.93161098	14.82803892	14.58723924	14.58252173	14.72656232	14.83536726	14.70959727	14.64597418	13.89670655	14.9931283	14.73122967	14.62881421	14.43455585	14.86146811	13.81181217	14.40132067	14.51401974	14.80125013	14.29124575	14.47238123	14.8483517	14.40909436	14.34925606	14.71340707	14.66392032	14.66364499	14.83134159	14.86650898	14.47008036	14.58980213	14.25373089	14.48779947	14.1314324	14.96592147	14.46302925	14.43936283	14.58417812	15.10941241	14.0803723	14.51246828	14.6705509	14.68325628	14.57339895	14.3290423	14.57423454	14.38456526	14.79249511	14.7915016	14.74132057	14.53305845	14.8032337	14.7145431	14.63135897	15.00048081	14.30408256	14.62267117	14.22497805	14.0340648
3-Hydroxybutyrate	19.85036131	20.32884949	22.18545505	21.60581138	20.64033401	21.45099321	21.26680039	20.32103577	21.60993701	20.55341596	21.3568152	20.88971221	21.01495234	20.44230221	19.91109646	20.79118881	21.24967074	20.51929111	20.49533948	19.97742569	21.29048568	20.96921907	21.95635453	20.52357401	20.590528	20.62539494	20.61372624	20.646239	21.14559437	20.87359357	22.09191111	20.18579024	21.40319135	20.4156134	20.94808437	19.7726244	21.25795978	22.4093223	21.09454472	20.37445996	21.65583583	20.46140721	22.02397181	21.29326512	20.41121773	20.29061462	21.37821932	20.60017374	21.86101874	22.05745305	20.8524175	20.70471599	21.77950275	20.85907528	21.59012859	20.20385545	21.70650988	21.05148489	20.76347015	20.91098739	19.62382985	20.41778049	21.0027212	20.74528785	20.30807798	21.05585784	20.9861087	20.40872758	21.37965771	21.20579272	20.89157517	20.59006086	20.53851024	20.82700441	20.50686926	21.42705616	21.05191604
3-Hydroxykynurenine	10.96346403	15.08936309	8.572212497	9.750069198	9.974249643	11.01534867	11.04100972	9.469683335	11.45761504	10.44725649	10.52400778	10.80979269	10.89794841	10.44866509	9.924638538	8.958171559	11.32490217	10.59944125	10.86529904	10.943958	9.742301146	11.42038816	11.21824022	10.59387344	10.3423356	11.09810288	11.50817256	9.923931574	10.21475614	10.72112218	11.34938064	10.22298069	9.03884697	11.29741441	11.07136168	10.04842677	12.28440822	10.71072827	8.806481437	10.19964319	11.37008757	10.77455014	9.783425717	9.723280655	11.06691458	10.47348936	10.9140505	10.33420798	11.54380687	10.73424862	10.28537943	10.04795012	7.928756473	11.43294714	11.36668858	12.25270568	8.262518484	9.398271692	9.275595007	10.68830135	9.824659106	7.918190375	9.620885448	10.97077737	8.615202493	10.82424107	8.264011188	10.39621102	10.86095364	10.3661574	10.48850312	9.809476432	10.75375381	11.26870143	10.42841093	12.17529535	9.863841072
3-Methyl-2-oxobutyrate	14.41846815	13.55691673	13.17926718	14.83429534	15.5435677	15.70781563	14.91803917	13.47040016	15.23162591	13.69884094	15.71291611	15.37957375	15.37716345	14.45088559	13.9724316	15.84115754	13.85420159	16.24249224	15.11217115	16.10912268	17.68391406	15.2808127	15.24386414	13.98506834	14.47768016	14.65356586	14.29119628	14.5697779	15.48411515	14.89542727	15.59622004	14.25086849	14.05483769	15.52288546	14.37619895	14.45581468	14.17936054	14.27557914	14.72662559	14.89743228	14.3087507	14.35693106	14.35964453	14.3655846	15.13050779	13.67872376	13.85430594	14.91996175	13.35546381	14.70497351	15.03305248	15.00790926	15.88189869	17.12829715	13.24658722	13.32719733	14.62051279	14.74421726	14.47972369	15.08876105	13.6108793	14.8595209	13.69511854	14.43183616	15.66409265	15.38462238	15.75566626	15.03685723	13.96664401	15.77968804	14.24346871	15.31234634	15.18273324	14.7175015	15.46141217	16.25021754	15.68642471
3-Phosphoglycerate	16.98760232	16.6022085	17.90375864	16.50492922	17.86263993	15.70796242	17.15635525	16.78323646	16.9738005	16.95234913	16.92920504	16.9622356	16.97851113	17.24525202	16.39994068	17.05460978	17.04870317	16.86941543	16.16485793	16.49812046	17.53568985	17.42247202	17.13023679	17.55391588	17.54741907	18.0183901	17.07331156	16.51238328	17.22941949	16.64694655	17.12272182	16.78092214	16.95831589	15.53688256	16.66967416	17.64930701	17.97986802	17.30662768	17.92591488	16.70645127	17.12472248	17.14925414	16.63227634	16.56116581	16.66514403	16.93028665	18.23233474	17.12710839	17.11768269	16.8126554	16.77495508	16.30469048	17.90329214	16.80423442	17.41321261	17.06928735	16.90500687	17.20807338	17.57690124	17.52990993	16.51395689	17.34073598	16.72590866	16.95068681	16.90041383	16.24171178	16.60899589	16.60858966	17.45763484	16.62617926	17.43989186	16.98552763	16.19104178	17.76477879	17.06923741	17.30153886	16.65862177
3-Ureidopropionate	19.96660496	19.87475047	19.67052673	19.7865898	19.68087158	19.78299835	20.0028971	19.44538927	19.41089782	19.51704354	19.74066003	19.7028109	19.59115092	19.86018429	20.12422258	19.8320059	19.51292151	19.50890378	19.70348944	19.43667907	19.78448663	19.00893499	19.62091755	19.69842965	19.73748309	19.76422518	19.97146455	20.42738794	19.62779842	20.12185789	19.94569399	19.43087039	19.66606	19.62027505	19.84101344	19.75506814	19.62524039	19.89137997	19.87999188	19.7677458	19.50600136	19.5529887	19.58131036	19.14833113	19.46374892	19.34648621	19.47895599	19.87871674	19.587075	19.86375211	19.84264561	19.47245272	19.63186216	19.47490515	19.45746906	19.59789442	19.65450483	19.84840169	18.98881997	19.46745835	19.74286853	19.781445	19.73894536	19.90485251	19.7928898	19.57515883	19.42155307	19.35931778	19.80123554	19.69106003	19.30197891	19.90027653	19.75707307	19.66338932	19.79632976	19.97307945	19.71901046
Acetyl-CoA	13.24063545	13.19924801	13.74470393	13.51677655	15.2057097	14.16576127	13.55902603	12.9188926	13.04321964	13.74809098	13.25214719	14.71528658	14.42585236	12.57555654	12.47522901	13.01973287	14.21510352	14.89482806	14.21813138	13.85376534	11.76012141	14.85381031	12.3507945	13.65738102	12.43916634	14.10888618	13.20518115	13.99480716	14.1245071	13.77192401	14.34036597	14.72266942	11.78425312	12.9320212	12.85169919	14.31802977	14.01720616	13.57637615	13.78842079	13.92050673	13.82287456	12.95042475	13.57146426	13.52349696	14.86838711	13.34708033	11.89070461	13.05259933	13.97285478	13.03552228	12.84175718	15.00192113	12.84117544	14.63363433	14.48366869	13.42923511	13.63391673	12.97688645	13.10656661	13.26465846	13.53966859	13.64194588	12.26846064	13.10631962	13.13086399	14.8859099	14.06177655	14.51546673	14.87772023	14.8759326	13.67176192	12.65032726	14.64654038	14.48643831	14.06908097	15.01681159	13.97243613
Adenosine diphosphate	21.53210312	20.38164832	21.05244239	20.79208242	21.23465472	20.82235214	21.09075949	20.60568636	20.49232433	21.61438854	20.4201371	21.89447801	20.59937027	20.65453316	21.81242801	20.81081282	21.62160273	21.03641029	20.26865824	20.05505878	21.4494985	21.10017082	21.53485612	21.62569364	20.82829211	21.32278454	21.0666643	21.47445473	21.54426834	21.23226533	21.31373698	22.38563784	21.281698	20.75488328	21.17109601	21.7847958	21.62085691	22.10932411	20.93248748	20.77766065	21.39775895	20.89795901	20.60765587	21.74516886	22.23263701	20.71383157	21.59670286	21.14101472	21.21686138	21.66398315	21.41210595	20.65185881	20.05071305	21.13857444	21.80937796	20.485057	20.3920548	20.60888666	21.61513004	21.70633332	20.57788861	21.39964209	20.40021136	20.82732497	19.432937	20.95223277	20.99229127	21.43417169	21.14779885	21.78562643	21.1912168	21.27724293	20.45167552	21.44340458	21.5424683	20.84604749	19.98939495
Adenosine monophosphate	22.88279715	21.96458442	21.79264492	22.55379617	22.52711486	22.9989489	22.7788401	22.67425021	22.3371198	22.78832464	22.34021198	23.36686701	23.18257945	22.60270877	23.02618731	22.45961113	23.23401564	23.8410843	23.81693825	22.76069964	23.14696217	23.01150476	22.87678244	23.5304415	22.91388045	22.770512	22.24151493	23.40924441	22.87465735	23.12331889	22.981892	23.03352439	23.22642218	22.90513548	22.94221293	23.24315342	23.0495819	22.59794668	22.85767328	23.47687854	22.93889129	23.36981116	23.41965415	23.13311026	22.49999415	23.03345158	23.07164605	22.97850417	23.6298275	22.7064119	23.14384917	23.22366838	22.90950154	22.644435	23.24990166	23.54750098	23.06542548	22.82988185	23.17101845	22.64198509	23.16551834	22.68565769	23.06639693	23.1210935	24.34417595	22.74074718	22.92012503	23.31599975	22.59477822	23.54016016	23.34329769	22.92809925	23.16916567	23.10631339	23.46563751	22.76364445	22.84068786
Adenosine triphosphate	21.18861003	20.9267407	20.42237765	20.97634402	21.22735133	21.45900728	20.54380461	20.3390151	21.45892244	21.28712506	20.97770876	20.96889235	20.81095853	20.95804119	20.8475439	20.34897848	20.30589576	19.52826748	20.43624619	20.751964	20.21342834	21.56273771	20.67748806	20.48067967	20.72311169	20.95252663	21.11021176	21.15330598	21.33096769	20.24766414	20.97411328	23.0975634	20.68835886	21.83177989	21.93425669	20.61961593	20.90089088	20.35630259	21.16011205	20.82663349	22.01145666	21.68609293	21.98454763	21.67752094	21.83424123	21.7433912	21.00166433	20.8589443	21.67333151	21.64783432	20.92260056	20.29528816	20.03496027	21.47241705	21.20663245	20.94004678	21.40185059	21.43863869	20.4193362	21.52112663	20.48414687	21.38188284	21.29449449	21.1641037	20.89063345	21.38424008	21.47353117	20.73841396	21.54004037	21.31823112	20.8637649	21.28603306	21.73678422	21.04630761	20.46658365	20.79501987	21.3577924
Anthranilate	15.68730923	14.92431971	15.06793036	15.29481347	15.27603691	15.11853026	15.03005874	14.45885027	15.5658767	15.49955103	15.42943398	14.88246776	15.94530293	15.69387096	15.24052526	14.9968792	15.53552834	14.92578197	14.71142306	15.28894432	15.79686258	15.77522744	15.67275294	15.75212571	15.31536535	15.8058822	15.90004038	15.37263951	15.35746448	14.86526188	15.00027145	15.73421846	15.24735293	15.57429411	15.19614215	14.85983643	15.61953562	15.06825584	15.111586	15.82219347	14.96361627	15.6575056	15.18104501	14.9971155	15.60287193	15.01504666	15.68932097	15.15691167	15.40458543	15.72947778	15.04699628	15.36627828	14.78280805	15.97305232	14.9419007	15.21047168	15.37243929	15.30793021	15.46288113	15.81088724	14.87446907	15.62312011	15.26291559	15.35452604	15.33076038	15.11865313	15.23445333	15.3118168	15.50034866	15.59844516	15.12131908	15.33034864	15.71195558	15.28795709	15.30300905	14.83484126	14.54331002
Arginosuccinate	17.23911066	18.33594461	17.32343261	17.5412978	17.05559863	16.93202713	17.27939478	17.92978191	17.69175953	16.82350443	17.61604148	17.14886942	16.79293009	17.49624808	17.28849619	17.18397389	17.23325643	17.13282073	17.33435126	17.03048117	18.19984659	17.87766896	17.53106828	17.50388306	17.87812463	17.79767529	17.23250219	17.27900659	17.46160501	17.1659973	17.90275238	16.83885801	17.66587723	17.50765191	17.9366377	16.20592949	16.84505482	18.22301224	17.28933584	17.42664016	17.26655566	17.62601738	17.07638411	16.85682403	17.40193943	17.58254282	17.22070642	17.5835435	17.50341193	17.435264	17.35902863	17.96041944	17.51125168	17.64969258	17.40644338	17.26505228	17.71219521	17.30450699	17.1303304	16.90566913	17.6650894	17.64939563	17.2418488	16.74577807	17.31142442	17.30870317	17.63937863	17.05585085	17.82374209	17.77329335	17.78518143	17.5973739	17.93605138	18.05044562	17.76599228	17.91197033	17.98950031
Ascorbate	17.99751721	18.38334493	14.69710606	18.03733003	19.39415368	18.64576375	19.79039093	14.4865682	20.309333	20.6622278	19.31392875	19.76540971	19.33070117	17.73765744	16.30344181	18.13971033	17.95440797	18.08572643	21.49079517	19.42543808	17.99817766	18.52858779	16.66451084	18.93418331	18.43657899	19.33960178	18.6490933	21.44570969	17.58640501	20.32772618	19.59682859	19.64445584	17.36151785	19.54084536	21.28329231	19.46443945	18.76483404	14.32301628	20.23133302	20.88840509	20.37348259	20.68053614	20.05350134	15.94166477	19.71782745	22.02291613	19.40913646	20.10650769	20.53236627	16.16123841	20.96862128	20.85888411	18.16564613	17.68583575	20.20184386	19.9443776	19.95831735	15.23659622	17.71533011	19.93611089	21.71185523	19.38637165	19.94220845	20.43260363	17.81997408	20.58229661	20.87033765	20.71479729	19.22418815	19.72983236	20.65862763	19.28208414	21.22998704	20.4566018	20.74830898	21.22326635	20.72222963
Biotin	20.39743349	20.21813287	18.81077876	20.20278743	21.217807	20.18349327	19.80553703	21.04491861	18.65953997	19.72823427	19.66188793	18.72530286	19.04429666	20.04821235	19.47809933	20.02766054	21.39460229	21.07028146	20.88947022	20.78441344	21.67757467	21.08723972	21.32546093	21.45474926	20.75650276	21.33830479	21.43189456	19.39244252	21.55539885	21.1682693	20.49212909	21.85127718	20.93170297	21.31038217	21.44316255	21.55386206	21.08927415	21.25917938	20.59687161	21.76581726	21.18223091	21.75915033	22.14206238	21.6502582	21.26178765	21.31396544	21.79436267	21.62397271	21.47406873	20.9569777	21.68260685	20.09147816	20.06641916	21.08690342	21.42451293	21.33859202	21.31707156	21.5599505	20.64483308	21.71993598	19.82348172	21.74260855	21.42411214	21.98416871	20.27979269	20.80266097	21.2969493	21.84743088	21.07387315	22.0289722	20.91049254	21.37819783	21.80640227	21.20412156	21.6809269	21.32228303	20.3430768
Cholesterol sulfate	15.05211806	15.97759983	16.06795348	15.41344249	15.40613604	15.19806113	14.87757773	14.05464014	14.21760592	15.23630509	14.67028824	15.62557531	16.20984025	15.536722	15.13722895	14.17850078	15.23106695	15.63683077	15.33872776	14.34447756	16.39050685	14.80080698	15.77234026	15.065232	14.88238867	15.55654496	15.52112211	15.67678624	16.16449729	15.60778682	15.97842334	12.4980523	14.7127867	15.19620575	15.32112442	15.34167952	15.90391757	15.99898304	14.95469748	15.83509076	15.99445589	15.57952178	15.8716996	16.11364641	15.23468393	14.08272633	17.37860273	15.41227257	15.65378374	13.83994853	15.74903325	15.44718812	14.48508798	14.91215925	15.36641096	16.89294326	15.88388323	14.71622186	15.34513196	15.74487688	14.26761082	15.33083453	15.19847083	15.89387215	15.10396793	15.86518142	16.00939655	14.96904458	15.90105254	15.84699047	16.17379053	14.93554506	16.16930618	16.27417626	16.15736044	15.69409179	15.43858552
cis-Aconitic acid	21.17883457	20.94711769	20.78082616	20.67951805	20.77320699	20.86569089	20.91644123	21.5449758	20.43949748	20.52972498	21.20019103	21.35953758	20.5508779	20.70130657	20.47479994	20.83876214	20.5390266	20.89490213	20.93911338	20.45157823	20.18146276	20.69505964	20.65411163	21.04206605	20.8460837	20.48068921	20.8165542	21.05738908	20.7074696	20.84470048	21.11008851	20.73310749	20.54812879	20.64111314	21.57006284	20.9526035	20.80682405	20.77207752	20.32039064	20.33285314	22.05850119	20.54694655	20.8607832	20.35646164	20.67610099	20.50567932	22.0901747	20.70494453	20.6312594	20.73180349	20.96321559	20.43157012	20.76914879	20.35084222	20.50638021	21.01221437	20.02944836	20.54988125	20.66314098	20.39291667	20.74851741	20.99744536	20.93689468	20.72001107	20.61022006	20.55159841	20.57394271	20.50552094	20.46644902	20.43597778	20.99305403	20.62039553	20.26398466	20.74589044	20.44591364	20.71305946	20.02166798
Citraconate	17.35024128	17.14388325	17.04855337	16.92791209	16.85243663	16.4492792	17.61824192	16.97525533	16.94646285	17.19817993	17.24794109	17.33073992	16.80786932	17.92874398	17.12015237	17.47635257	17.51639251	17.34688553	17.07755344	17.05028307	17.06152127	17.33298603	17.33505781	17.49482585	17.44782938	17.33078006	16.8398156	16.74795746	17.41232119	17.14165308	17.10647851	17.01077602	17.59500016	17.04286417	17.5037684	17.33240976	17.29769123	16.92198033	17.25760201	17.80440002	17.49054169	17.4164298	17.01980445	17.43212229	16.77183089	17.15500746	17.14014058	17.07862342	17.20332575	16.7357631	17.05499438	17.55645368	18.09219226	17.0453935	17.69897285	17.24458486	17.20555471	16.95102905	17.2863328	16.80168866	17.18051975	17.14967676	17.18150705	17.31058991	16.03381108	17.83820168	17.37020244	17.07660714	17.32759971	17.07453302	17.39201808	17.26046038	17.07992158	17.75149857	17.62131882	17.67651118	17.27905741
Citrate	24.17887212	23.03702197	24.06409839	24.15171078	23.72058568	23.03867335	22.48738807	23.57883391	23.86403728	24.05188772	23.83890779	24.32830514	23.73354468	24.26046549	24.57411406	24.3711733	24.11339752	23.0831602	24.22238681	23.62801728	23.80061013	23.90483111	24.05380354	24.04510967	24.16156103	24.41932644	23.24402167	23.77046335	23.83162031	23.02732336	24.51070386	23.75006978	23.34466177	24.38720696	24.50043914	23.4438785	24.12192072	23.26200714	24.23901853	24.13328043	23.96208711	23.84418313	24.09057451	23.21903781	23.36318082	23.7720765	24.21889089	23.69832173	23.66143792	23.74796185	23.69633989	23.99973978	22.50219595	24.24177448	24.08581255	23.70300262	24.09695554	23.50669783	24.72725837	23.88030818	23.62060966	24.65703171	23.74274224	23.81569046	21.97563532	23.78823307	23.66952567	23.0673298	23.91636185	23.49080233	23.85624854	23.59531338	24.37789863	24.5528364	23.27486634	23.99352268	24.14329149
Deoxycholate	16.49588544	15.97489469	16.46749535	16.61854589	15.14263796	15.81913315	15.98543198	15.91031046	16.71049247	16.09354638	16.82112886	14.84303281	16.53867261	14.60452707	15.00952805	15.38703504	16.53888364	15.5819284	16.30777876	17.05542514	16.41382685	16.19378871	17.21796246	16.90896462	15.39794184	16.52373741	17.67636306	13.47990599	16.1226376	16.22698073	16.72787129	13.95080001	16.35049801	16.19948942	16.52682573	13.98497437	16.21782793	16.4095584	14.95942505	14.95021147	15.9181185	17.06033012	16.15975264	16.16089328	16.09013218	17.19086281	16.58909931	16.72054354	16.94169984	18.13462853	16.0945483	15.85192475	17.38894119	15.44759927	15.60339267	16.24033773	16.44047169	15.59408731	17.41893908	16.82347585	16.42910733	16.39473599	16.35559262	16.93292076	16.49001078	16.20628178	14.21136789	15.83363606	16.31132688	15.70760188	16.41632783	16.75106604	16.19251732	13.79335527	14.52222792	15.08336073	15.11541211
Erythrose 4-phosphate	17.56449992	17.85660961	17.5307265	18.15252245	17.62224291	17.72296631	17.33046782	17.96170911	17.67914262	18.23071099	17.01461941	17.79764931	17.45413236	17.33198061	17.75761739	17.26887464	18.34910765	16.98761151	17.6502677	18.15883302	17.62553334	17.7746329	17.9637165	17.58458099	17.81022714	17.48257068	17.52073162	17.5098346	17.43712484	17.33285355	17.4718092	17.98493726	17.51306308	17.89044927	17.60839507	17.34971649	18.49528659	17.83512275	17.80342433	17.75463374	17.72376856	17.64269816	18.12680965	17.7376387	17.92063282	18.03922899	18.05111136	17.62430719	17.81085376	17.98733567	17.68510312	17.42064359	18.7038536	18.03406429	18.37681239	17.4812565	17.84939141	17.89808819	18.30859827	18.06219241	17.80931462	17.29769725	17.56199718	17.38705077	18.65553308	17.65347474	17.56567063	17.57885398	17.66770508	17.32662237	18.11644067	18.28877196	17.83539655	17.9008875	17.75519726	17.96455735	19.80142881
Flavin Mononucleotide	17.91191025	17.56987652	18.30289108	17.99883672	18.40748671	17.760344	18.42109493	17.8351675	17.97386415	17.72971633	17.69520802	17.82581655	18.0820447	17.83643349	19.25765191	17.63537948	19.07577295	17.73255345	17.94751136	18.189718	18.09118773	17.38257344	18.93825511	18.07082944	18.18286609	18.56895693	17.66956843	18.37710662	18.94996936	18.27965954	16.91728437	18.08272063	18.95694255	18.54620399	16.604187	18.83301411	18.72000068	18.76904606	18.35424438	16.65326117	18.01474444	17.44549672	17.70670307	19.05929503	18.18188978	17.55697091	17.2553143	18.03765985	17.89477185	17.80278255	17.44488305	17.74814586	18.38034893	18.10531692	17.59340274	18.24277417	17.40954498	17.82571641	18.9242342	18.23816768	17.43232176	18.62583164	18.23349787	16.84926431	18.57412869	17.81984018	17.44730337	18.28144786	17.32355738	17.42580497	17.66335339	17.41297764	17.58358395	17.89485162	18.45646566	17.77549179	17.73805507
Fructose 1,6-bisphosphate	18.98482592	18.992625	20.19164283	19.91792015	20.41339604	19.37580184	18.88009997	18.75043447	18.84899704	19.28436798	18.73490366	19.13662247	18.56953595	19.36128742	18.94843735	18.76719322	18.75130101	18.4721191	17.63073985	18.85677677	18.98233038	20.18162959	19.85037538	19.63275299	20.03004201	19.86390126	19.52616066	19.19648308	20.5305829	19.30255483	20.25499631	20.9323676	20.66665235	18.71712145	19.95483218	20.13681968	19.63623867	20.42787787	19.3701851	19.24030169	20.75832124	19.19338649	19.65996624	19.30271114	20.02471443	20.23734525	20.52888654	19.59539063	19.06063724	19.69613096	19.28145904	18.78958819	19.39314338	19.29877128	20.37596664	19.80873991	19.90348553	18.95981276	19.71013906	19.75419408	18.51875521	19.59849827	19.38146275	19.56035587	21.3193013	19.63437042	19.16310391	19.12289338	19.63860396	18.66839644	19.29565768	19.08997759	20.05491479	20.06436674	19.62348954	19.48293715	18.90156728
Fructose 6-phosphate	23.82191473	24.81057509	24.56387557	24.02037919	24.77792958	24.00616663	23.71512405	24.88605909	24.4695407	24.7160579	23.09664863	24.39199333	23.81880638	24.00954197	23.51740333	24.28014451	24.64738723	24.1046444	24.7661356	24.12369361	24.15250634	23.97675741	23.92788672	24.61855212	24.2919501	24.15197224	24.02874803	24.08829936	24.63222363	24.076563	23.5586885	25.11090777	23.98430963	24.26666824	24.3684417	24.64038902	24.97457677	24.37182233	24.00744982	24.43453733	24.7308819	23.63403034	25.2269589	24.20931551	24.0618042	24.57409523	23.86734664	24.2370424	24.48367802	24.27060202	24.29352465	24.05118826	25.47555005	24.62533851	25.2194507	24.39695714	24.55446375	24.10072339	24.60564546	24.51203175	24.26365026	24.32723904	24.80667681	24.02666361	24.52497861	24.95141079	24.01368455	23.94409517	24.47491485	24.67981663	25.02880058	24.26878908	23.82588403	24.0903856	24.22229941	24.65887989	24.4604425
Fumarate	20.18315085	19.73450482	20.3605471	20.95337804	19.45900251	20.53621304	20.28473336	19.60301486	20.20116692	19.86868802	20.97850699	20.48936969	19.96012852	20.81858125	20.57969364	20.55346427	19.58220833	19.29924969	20.39492911	20.0141007	19.66901647	20.23077832	20.42907375	19.91531587	19.85064798	20.26783649	19.99597473	19.65757068	20.19944392	20.78731469	21.04442561	20.93874465	20.53592523	20.89097326	19.98110992	19.76602935	20.25836681	20.70856143	20.51933918	20.71654451	20.59047633	20.65266487	20.38905347	20.76718951	20.34928878	20.51513993	20.62216316	19.86930658	20.16314343	20.81148871	20.39311575	20.41176859	20.35724006	20.09616888	20.7313598	20.01575188	20.1912127	20.23473496	19.90507395	21.046784	20.2604769	19.90738205	20.34910569	20.46236365	15.91683482	20.29545667	20.60422823	20.45370198	19.62611285	19.9499677	19.66680259	20.02479338	20.00779713	20.55266399	19.65418694	20.04805267	20.27918307
Glucose	12.10735639	8.976109522	8.951286797	10.33315038	9.717114044	12.00100969	10.71568188	10.12394834	12.7477392	9.524069447	9.161391917	11.28421064	10.0530608	9.815858585	11.65932898	11.80636518	8.81336734	11.80095319	9.563055216	15.09556435	11.55827657	11.06354796	12.12451466	11.6804893	10.96588464	8.947921587	11.44543848	9.619961642	10.26147356	11.10961045	10.44682203	11.80701828	10.78619956	10.30389697	9.352326468	11.74699527	10.55772534	8.203492476	9.337911935	7.851747625	10.66564329	9.038969093	10.44357856	9.51966687	10.63205323	11.10186858	11.40202208	10.0045201	11.01137629	8.579655148	10.94211439	10.5025259	12.92143494	11.12092803	9.644154737	11.73883035	10.55363283	10.79200382	10.91981525	11.13781531	11.76855176	10.28820217	11.15638049	10.57005765	14.13025386	8.966879625	8.064100116	10.54586205	10.08664404	10.27913699	11.63081003	11.72181152	9.519053489	9.802422363	10.48792645	9.682877045	10.08183243
Glucose 6-phosphate	24.24974716	24.84957415	24.47350923	24.7563622	25.04137899	24.72436736	23.6940872	24.88193575	24.66584565	24.5866812	23.65547127	24.83145975	24.59679532	24.22876754	24.52102224	24.08077542	25.18149047	24.32252362	24.87758746	24.58245688	24.6568924	24.52708828	24.60695829	24.4611736	24.97904566	24.93062274	24.06542495	24.51337013	24.75390012	24.64960123	23.80630179	25.42803569	24.57891215	24.54442031	24.13744073	24.74213879	24.86808169	24.84684709	24.69400309	24.09302399	24.64469768	24.11225017	24.87847666	24.9342774	24.54125065	24.42010444	24.14285598	24.25288514	24.29658399	24.53591851	24.12387226	24.20990658	25.40733442	24.90044323	25.05890721	24.36057324	24.32020682	24.34905474	25.39505139	24.82108687	24.3518523	24.45856537	24.93803881	23.95143672	24.99831528	24.92804723	24.48121103	24.83200382	24.20318233	24.4598822	25.00835582	24.47247288	23.70040657	24.60942401	24.97458891	24.60250171	24.24807329
Glutarylcarnitine	10.45013953	11.86998252	11.95032365	11.18344489	12.18844211	12.1757739	11.66126317	11.10733136	10.07136621	12.97037166	11.36932206	9.170327439	10.97663309	11.13735245	10.9237606	10.9871192	11.16663442	11.42947375	11.24321529	10.66211395	10.67543961	11.78827184	10.7898405	11.17563993	11.81943194	11.19751415	11.43819959	12.39764584	10.85169795	11.25991795	9.329481123	16.30693725	12.40544837	11.65001449	10.7367977	12.89746791	11.1801951	11.56715228	11.4197036	10.19382187	11.29128043	10.69564203	15.40654649	11.31781544	11.39470628	10.62616461	10.84399415	10.94620708	9.79377165	10.29988376	10.50409402	11.97725171	10.40417594	10.69737054	10.76830705	10.92073647	8.907620626	11.54204711	12.27476785	11.79677079	11.51911672	11.15107268	10.21128162	11.25038848	12.97227111	11.45254278	16.23443075	15.14892132	10.97462663	9.992337866	10.3089052	10.05926314	10.48366949	11.19887281	10.00076371	10.9049834	10.89618731
Glutathione	22.55270619	23.42736617	21.74814048	23.2797807	23.0294777	23.30430498	22.80678119	23.60786471	23.25035689	22.7904047	23.31742766	22.4922062	23.28347366	22.68664506	22.33475834	23.02428584	22.35031665	23.71504798	23.80105933	23.1703115	23.51952274	22.94300484	22.57531638	23.17518674	23.23118612	23.20771116	23.13073636	23.486132	22.69806594	23.94922834	23.34866283	23.33951636	23.82433047	23.30231569	23.02413252	22.80993692	23.00749354	23.59141995	22.42341913	23.25116993	23.44329015	23.60705693	22.6570822	23.13336576	23.13289306	23.30768427	22.87814999	23.49700588	23.39250372	22.91204485	23.80495588	23.1781207	22.99598158	22.28496717	23.09746893	23.11307311	23.17817579	23.19326753	22.53560452	22.89248628	24.0257378	23.3253314	23.88351565	22.86080856	23.27258643	23.39443437	23.21061345	23.68079534	22.52776635	23.0342262	23.06075946	23.52876497	22.89711489	23.28519169	23.66443887	22.61921814	23.09657195
Glyceraldehyde	15.46596241	15.46409696	13.17180757	13.73389786	13.61565868	15.13576927	15.50429812	15.04221651	14.96120184	13.18702266	14.63879766	14.64053413	13.23054084	14.00432724	15.69147688	15.77621535	14.00406552	15.14021408	14.11724242	11.8075289	13.7081301	14.45574266	14.29284644	13.97933123	13.82640599	13.02170957	14.08962478	12.30961193	14.12002055	14.60589788	14.83195658	15.5180493	14.34073316	14.35327843	14.0549341	14.93736303	14.57364291	13.05234769	14.49990482	14.58525178	13.98403469	13.23591478	14.5775984	14.44269686	13.44858873	14.96450303	13.98520743	13.2305035	14.56794442	13.80707824	13.63786068	11.5411046	16.6207642	14.35011123	13.73560943	15.23674184	14.01917332	14.94908833	13.95578275	14.46601075	15.01345609	13.49222519	14.40551257	14.03692008	16.36461311	13.07342083	13.1474221	13.95595416	13.50707793	14.05185628	13.03796117	13.77541198	12.93701259	13.61972812	13.8664395	12.60653792	12.98935629
Glyceraldehyde 3-phosphate	18.28013005	19.35465396	19.41260425	18.9242204	18.85961541	18.47278908	18.9845255	19.50157865	19.54720503	18.93792451	19.65358877	18.37448839	18.74475619	18.96533013	17.74462669	19.58019432	18.42320788	17.38867866	19.97693563	20.27203603	19.89615193	19.33327756	18.84243604	19.71098182	20.00190673	19.4592551	19.36032647	19.848597	18.81021826	19.00860395	18.84562715	19.93704901	19.63953574	18.97097248	19.6441437	19.01678786	19.22315016	19.05619689	19.39573265	18.88904734	19.98514917	19.52821901	20.16713099	18.71062919	18.59432068	19.35346942	19.0398001	19.97938798	19.79349828	19.30416749	19.3680577	20.10383205	19.54742894	19.15752812	19.65673477	19.47075467	19.90718593	19.05128644	18.54633792	18.7809756	19.77460301	19.54213251	20.35050236	18.92775163	17.52002124	19.88617113	19.96897579	19.05129434	19.66839772	19.05253472	19.1825046	19.12522369	19.48396819	19.12028466	18.96477458	19.20882783	19.30419368
Guanidoacetate	15.90273131	16.56550067	16.27964283	16.92283748	16.40021338	15.66596092	15.07243112	15.50073954	15.26368866	15.80355839	15.60669767	15.6011554	16.20979356	15.98094882	16.21868714	16.15479617	15.15481346	15.61774424	16.04857789	16.47017817	15.38310427	15.6284501	14.88558286	15.5080598	15.63054548	15.74828587	15.29442318	16.18715218	15.98554248	15.95951023	14.89580087	15.93246494	15.73762536	15.73662271	14.65316099	15.92846808	16.48287267	15.65819244	15.38448985	15.03732323	15.46849668	14.89113235	14.65696983	15.4834708	16.19158325	15.3881202	15.20327039	15.89834743	14.22862643	15.81644257	15.37799139	15.14918426	15.73258096	15.44066888	15.56033732	15.82957276	14.71755523	15.86737412	15.89310048	15.92352317	16.18134388	15.59770148	16.08135477	15.64502902	16.28249152	16.98676445	15.27872215	15.3872827	15.29870578	14.96337493	15.68582909	15.94184682	15.14168856	15.73414584	15.8631099	14.42790655	15.98552766
Homocysteate	15.13439977	15.56520735	16.092715	15.00237795	17.34895119	15.24818825	16.79628181	17.1537328	15.99603026	16.26317572	14.8261561	15.72296601	15.601354	17.84345236	16.87118594	15.96332083	16.90297939	15.03121693	15.99774774	17.0394363	17.9414093	14.4122684	15.58761295	15.7828406	19.12200073	17.44027869	16.05207961	17.51500182	16.02095075	15.72270754	15.42571993	16.88185304	16.52590222	15.71338928	15.66165305	17.01533649	14.83883464	16.49195418	16.31510634	15.90741094	15.63714466	16.35202803	15.75854198	14.06347844	15.4570149	15.955239	16.5708877	16.36269237	15.53537915	17.84466336	16.52939586	13.60371297	16.37507232	17.51184278	16.31908211	15.46679507	16.74903992	15.28367481	15.41706801	14.85397484	16.73764458	16.25395629	16.19871521	15.8545616	13.01367997	16.27605595	17.30428987	15.70774198	15.70304374	15.02997457	16.01910118	15.79403978	16.74140086	17.16414522	15.44781857	15.96210327	15.05134145
Hydroxyisocaproate	15.24467303	14.70590464	15.68626706	15.864683	15.11488114	16.16199106	14.97452847	14.86239284	15.77586115	15.86538222	16.02838048	15.12654148	15.58358111	16.49890119	15.56405679	16.31544715	14.87269202	15.61597408	15.79423941	14.62891465	14.70040683	15.4818411	15.29752324	15.55162875	16.0059475	15.19542316	15.45705918	15.25997058	15.3472504	15.17353558	14.84923793	15.40475261	15.87218687	14.64923867	14.62293645	16.0817947	15.97908086	15.04183678	16.28444217	15.7220334	14.32254148	15.48822294	15.09291174	14.52073803	14.37211204	15.80479232	15.20528827	15.1906686	15.41715371	14.56641624	15.33932871	16.55362517	16.62450288	15.83899928	14.19166614	14.81796528	16.14248803	14.70797766	15.17388246	15.22349841	15.90158043	15.60613728	14.76401239	15.40437695	15.16045045	15.46623974	16.73828087	16.67266212	16.15999633	15.19542639	15.09864123	14.86365904	16.16356426	15.85697912	15.00870582	15.04012211	15.40167067
Inosine	24.50416501	24.42975676	23.47321877	23.09526383	24.34615868	23.30064383	24.18136884	23.92505874	25.23650253	23.8110668	23.33429177	23.26869205	24.83375577	24.30634008	23.97442622	23.7961436	23.67887745	24.04462111	23.95772015	24.14200223	24.47943873	24.36585914	25.00976613	24.45778639	24.2110053	24.5741023	24.71335258	23.89633301	25.05074012	24.0373258	23.43096055	24.14668694	24.58693272	24.76175919	24.48655899	24.93727631	24.63149293	23.17333651	24.12510443	24.46126583	24.34405046	24.35715491	24.274678	24.14243314	24.31258188	24.43735396	24.67991455	24.58904699	23.9449741	24.57194199	24.35861503	24.36095794	24.22434922	24.82525881	23.85927828	24.55891083	24.65205926	24.11328417	24.27424571	24.93416343	24.8385621	24.233882	23.8921212	24.41197178	24.03682903	23.44848904	24.09564327	24.2518088	23.82257726	24.50364788	24.43388683	24.37198264	24.68280264	24.49132272	24.46950405	23.8206344	23.42774626
Isocitrate	16.90510499	17.63953519	16.83671528	17.40872188	16.59526571	17.07970496	17.61231176	17.53248056	16.94438215	17.33735359	17.70617679	17.08294573	16.76020535	17.44907586	16.2120936	17.65298165	17.94084624	16.94906373	17.95079875	17.72808159	17.00629406	17.42353863	17.08543452	17.33577612	17.09154701	17.53421946	17.45978067	17.45311173	16.51221423	17.09595671	16.75151169	17.78888431	17.55354553	18.30041757	17.80150252	16.96846122	17.71360614	17.53744124	18.07890946	17.84004051	17.60005262	17.92292235	17.73272931	17.17940433	17.48169529	17.79576194	17.32836089	17.46383037	17.40341845	17.80049931	16.82724162	18.01157062	15.76319493	17.16638017	17.85350461	17.51226735	17.00519853	17.93602108	16.85954798	17.15707615	17.31990348	16.92692395	17.86325945	17.7622476	16.88867853	17.70067634	18.04769105	16.96858386	17.13884012	16.97067358	17.41758562	17.26883551	17.74992211	16.95047847	17.95123907	17.31027545	17.23521591
Kynurenine	14.4265771	14.31404579	15.30784397	15.57067257	15.7674605	14.98722177	15.54698688	15.46232252	14.89413571	14.86153973	14.39097264	15.41741176	15.00713185	15.01464523	14.62630844	14.47705631	15.9502636	14.37460373	14.92134615	14.33593289	14.42728766	14.94385055	15.05225155	15.04631356	14.06854181	14.88280555	15.29286989	15.34512467	14.36211216	15.4242037	14.45112149	15.6863927	14.75868922	15.33221777	15.43257206	15.2686026	15.53820901	14.82944369	15.10361108	14.84629636	14.23763871	15.09461882	15.79279572	15.09474694	15.36258567	14.91533951	14.18623953	14.92476315	15.62826497	15.20416887	14.80864678	15.86546201	16.23189025	15.13798491	16.26322218	15.55768327	15.44603993	15.31767558	15.26149389	15.17408923	15.78448447	15.71367484	15.84399008	15.81351797	15.94129246	14.91779772	15.63586185	15.53491319	15.8853771	15.206516	15.49351904	15.06777959	14.66100698	14.67174965	15.04895426	15.30988563	14.93459994
Lactate	26.20318017	26.57037272	26.52314532	26.09781181	26.42881252	26.69466981	26.76132971	25.95860987	25.81425058	26.61917227	27.20555182	26.44892426	26.25941139	26.10775183	26.29739006	26.82963687	25.93579801	26.74018999	26.50397773	26.37798706	26.4023205	26.3672264	25.98046864	26.21619229	26.41045556	26.27012053	26.20128384	26.77281924	26.40528274	26.37755798	26.79190793	26.17920866	26.30860382	25.95068763	26.54008512	26.21372757	25.29666205	26.36510479	26.09425594	26.09005685	26.19234653	25.93879074	26.08048192	25.85620944	26.33986418	25.93587369	25.92595017	26.24767072	25.69317042	26.01400877	26.21692185	25.87471817	26.53438493	25.66077953	26.35009187	26.78588126	25.85685383	26.04939658	26.08333327	25.81815339	26.30943058	26.20639675	26.4917862	26.28615264	26.28652035	26.21831547	26.41918424	26.17042538	26.53965459	25.85451645	26.57409765	25.93294051	25.98570175	26.18957075	26.30157879	26.47379565	25.3834881
Lactulose	17.65392701	17.17977989	17.30294979	17.16027922	16.82821395	16.43522325	17.17702821	16.7598556	17.41589177	16.62624084	17.15402587	17.23832312	16.75383772	16.28671542	17.61971284	17.46195203	16.35677664	17.25134709	17.34009232	18.31550815	17.89065304	16.84896907	16.85456833	17.12696334	16.76421529	18.13193457	17.2184808	17.89211494	16.85673402	17.88625576	17.8479495	16.28136003	17.58927448	17.486859	19.07948515	16.65139494	16.97765903	18.04579088	17.16769394	17.13921983	16.91158599	17.33408958	16.03036739	16.84976073	16.97459937	19.64952109	16.18826541	17.19826121	16.48634589	16.53207448	16.86429549	17.47831204	20.71963363	16.67441632	16.70765192	17.33784203	16.12169438	16.57179573	16.65882298	17.11955774	16.99299532	17.57956433	17.0721736	16.71936761	18.62421883	16.60284027	16.40800569	17.00691805	17.13191768	16.09642691	17.78622526	16.05688663	16.44993932	16.95759262	17.40031746	16.85104063	16.5129795
Malate	23.9112961	23.94512023	23.74755248	24.3909629	24.07860118	23.8256027	24.06293223	23.94683789	23.98352345	24.04495161	24.84159584	23.82337559	23.48926315	24.51461771	24.25140524	24.23311338	23.95350575	23.4780772	23.91750117	23.7150237	23.92372655	24.28288254	24.32760226	23.64576056	24.10693289	23.75977886	23.79910405	23.67041445	23.56363406	24.16579963	24.52321066	23.92473319	23.80096721	24.24383403	23.76599333	23.36156428	23.9240043	24.16080777	24.08882547	24.30989247	24.06764981	24.28782838	23.83788692	24.06614651	23.74077737	23.94006372	23.8960505	23.89811897	23.83733267	24.12186921	24.02596993	23.64456883	24.03663446	23.90952631	23.941665	23.49196789	23.75315782	23.8063456	23.82287118	24.12705282	23.75381844	23.65921674	24.36740189	24.05355661	23.03213705	23.67268261	23.93234999	23.51265857	23.7466278	23.21926648	24.0426671	23.72135242	23.95118976	24.17444286	23.30765063	24.00576489	23.75416274
Malonate	19.63977012	19.95932069	22.04095362	21.61717594	20.91804941	21.56605204	21.160219	20.37494668	20.79212644	20.39046655	20.83186868	20.47966438	21.00513515	20.58795303	19.78146621	20.4765754	21.31978359	20.42530661	20.65925736	19.65260815	21.30782325	20.89383527	22.0380147	20.36031374	20.60087156	20.66789697	20.54123948	20.6430339	21.01578303	20.70344251	21.82085541	19.85341227	21.33467594	20.47495949	20.8920945	20.03586026	20.95168175	21.98547799	20.81984478	20.2622029	21.34425328	20.37604603	21.7453419	21.32971129	20.41154235	20.06147709	21.12656384	20.70871976	21.70499688	21.89704091	20.72717822	20.88688942	21.80029718	20.83556623	21.46666878	20.0248617	21.61032038	20.95834358	20.84382019	20.86245356	19.8633404	20.46865279	20.86162311	20.59733729	20.68629428	20.77983122	20.60569925	20.16312103	21.13372414	21.1562681	20.8233517	20.62346191	20.40516391	20.52585141	20.31802685	21.25421293	21.10623385
Malonyl-coenzyme A	12.6562909	12.67256355	13.221029	12.99686156	15.34813245	14.82439765	14.5778188	13.99173694	14.35395345	15.30624982	13.83538311	15.97552028	14.3914983	13.45685223	13.19556226	13.6743594	14.82121849	14.97635377	15.07573478	13.72455496	12.99289582	15.3750449	13.36036654	14.72392343	13.33966419	14.42916974	13.20483817	15.31025291	14.51631195	13.92061036	14.55579658	15.51239781	13.28090099	12.89570246	13.10856587	15.2678869	13.68071842	13.09981942	14.23664276	14.29523832	14.88880601	13.82169459	13.97547686	13.78295947	15.09533601	14.87472727	13.12317511	13.48486485	14.71441685	14.93029958	13.79770084	15.37360131	13.24109858	15.64222287	15.00294995	13.07540534	14.31299803	13.57354671	13.50846137	13.54231666	13.93150246	13.73664738	12.38476451	12.96269295	13.69810434	15.08548341	14.51752145	15.5813455	14.73448996	15.01656825	14.35699842	14.18631075	14.79263408	14.01927269	15.21788257	15.42381133	15.32004329
Mevalonate	16.56116024	17.22279754	16.38530677	16.51322091	15.20579016	15.24039826	16.71528431	17.0437802	15.10306402	17.32949164	14.33113081	16.92023349	17.27012413	15.61021468	16.94334177	15.7720152	14.11793455	17.00452859	16.5307637	16.57184441	15.89916625	16.7360712	14.86164574	15.22487974	16.52675597	15.89292258	15.61346306	18.03924428	16.52045652	16.34656408	17.75382473	17.13678731	16.66072059	16.18731223	16.47181607	16.32517648	16.58718677	16.70076407	15.87243676	15.79326517	14.8806869	15.40159545	15.40281778	16.11182151	17.17335491	16.23054164	15.9908955	16.60707162	15.943802	15.19558625	16.71268853	16.33885126	11.56192438	13.93953087	17.07646173	16.01410278	15.10248148	16.16280349	16.00233605	14.95013213	17.89994493	15.61928308	15.46568283	17.05343064	15.43194639	15.65409111	16.25577366	15.26973317	16.27428027	15.02598155	15.30067545	16.14487377	16.7394388	15.65734499	16.48669688	16.47092503	16.01815292
N-Acetyl-L-Alanine	17.90883814	17.52580721	17.78863999	17.64147696	17.35452452	17.37264847	17.94209539	17.52712498	17.43001864	18.00049182	17.7965505	17.63675953	17.30522401	17.40514614	17.84666858	17.73514729	17.89078384	17.64957372	17.83192966	17.7248892	17.60681285	17.58298	17.40147401	17.53357621	17.75546066	17.3371892	17.23477186	17.59945892	17.69397726	17.35341167	17.66320244	17.91640398	17.54649531	17.50051011	17.33772488	17.99018381	17.51399513	17.64870608	18.33309583	17.56765119	17.56332239	17.39344802	17.6880262	17.99358343	17.49861111	17.40724755	17.74811217	17.59706022	17.77218983	17.49415165	17.56201242	17.94377035	18.20279249	17.69744056	17.48032893	17.55576067	17.89953689	18.05250553	17.97078688	17.47373698	17.89827107	17.87457621	17.65180231	17.41027096	17.465242	17.76677246	17.71062191	17.52801973	17.53771799	17.67662795	17.43920482	17.46831323	17.36692047	17.62136444	17.3860728	17.44811647	17.84518668
N-Carbamoyl-L-aspartate	14.46909161	16.38885053	13.258316	14.09117931	14.41907369	14.93605642	12.97029732	16.26357931	14.90912688	14.64532688	13.93147463	15.36880644	14.41523103	13.72568676	14.70211537	15.15882303	15.52747738	14.95388519	16.40794735	13.83571678	13.94909664	14.22538033	14.92022008	14.47449773	15.57286125	14.85327835	14.35770736	14.93900046	16.29006448	15.64812442	13.83341106	14.78485174	15.65026364	15.69569442	15.56648722	14.64835041	15.01001557	15.54966384	14.83793444	15.40452102	14.83711072	14.7011144	13.98835485	15.36797175	15.34867088	14.69713261	14.61530642	15.24612074	15.20346401	13.92054455	14.92404438	14.44570576	14.07102289	13.34523098	14.19441863	14.2785328	14.09637836	13.28313472	15.04921192	15.42092451	13.658317	14.0311863	14.44184215	14.24313299	14.80034371	14.70158964	14.03315432	14.50917442	15.0302015	14.61595187	14.79721562	14.02053155	15.02803088	13.79587764	14.25395868	15.35939789	14.21374212
Nicotinamide adenine dinucleotide	21.08966876	21.08375134	21.02377301	21.47223535	20.94869723	21.72076395	21.13042689	19.93073151	21.66238529	21.43837292	21.26653472	20.8524206	21.71065386	21.63326971	21.88685338	21.01034035	20.90572974	21.21810533	21.22343542	21.35808912	21.81566038	21.4468195	21.04377667	21.67647	21.01287664	21.38727247	21.70145549	22.19589706	21.25259428	21.64726961	20.58233594	22.18936276	21.53565655	21.70726041	21.01423366	21.75825254	21.45529096	21.73319667	21.31343832	21.61153246	21.09680786	22.17180762	20.48016658	21.31925086	21.89564066	20.82649487	20.76704218	22.03471889	21.78922048	22.04220637	21.28993388	23.22207271	19.93641141	21.08134247	20.99813584	21.39551956	21.35977588	21.79111315	20.32701531	21.41497944	21.7175206	21.24458573	21.3797826	21.80933128	22.07137268	22.01073276	21.84612082	22.09903347	22.07277227	21.65958961	20.99246334	21.47518739	21.91332849	21.06665409	20.84850692	21.1223985	21.70254548
Nicotinamide adenine dinucleotide phosphate	14.70391138	15.36267237	14.5230407	14.39880116	13.94764847	14.42835908	13.72655171	14.48849532	14.5197805	14.65743711	14.42005344	14.10479539	14.44061025	14.27196033	15.11433125	14.48131672	14.33508054	13.22370594	14.0120525	14.36295041	13.55364903	13.55766776	13.88007164	13.44351704	14.02732706	12.91288639	14.03642545	14.38132472	14.02312223	14.00460984	14.10921269	13.86891861	13.71475916	14.18317895	13.87263185	13.52524964	14.09562234	13.810058	14.4414226	14.15637665	14.03316819	13.95882859	13.83239078	13.86930542	14.62506982	13.82759256	14.32245452	13.33870434	13.78261644	14.78388119	14.69361954	13.46900412	13.13099114	13.33202425	14.16969343	13.68494901	13.87587454	14.5565776	14.67060103	14.55339136	13.85769915	14.22311565	13.82415816	14.02804966	14.07515022	13.32821216	13.8684586	13.48514129	13.82708587	14.15834321	15.05981049	14.55354811	14.09568248	13.859837	13.66669133	14.40685287	13.71444666
Nicotinate	15.38710048	14.67663884	13.85631986	12.83478109	12.3696425	10.82642422	14.01367688	13.32988266	12.87624279	17.56006379	13.44763707	13.96434098	11.73224368	12.71512786	18.12960734	11.51303689	12.63738378	10.35811915	13.00206676	13.54608891	13.76476773	13.17541099	13.04700897	13.28320823	14.06899037	12.86504985	14.18564694	12.25349023	14.55016369	13.76622088	12.5011032	12.04519057	12.73036222	13.55090207	13.61151302	13.29675556	11.41748246	12.63980468	13.40615759	15.08313162	11.33545892	15.76299254	11.92344306	14.19615262	15.65097552	15.65860669	12.9073456	16.1370986	13.43514528	11.48795811	14.32536403	13.29495633	12.06833728	13.06532713	11.76574912	15.19843732	13.39875028	11.36993657	13.10610427	17.118066	14.68695917	15.11172464	13.28394003	12.57423774	11.00431118	12.26465027	15.6311804	15.12691339	14.21525188	12.67317529	13.36352669	13.39476942	15.52690544	13.37807527	11.67050962	13.88849322	14.43779149
Oxaloacetate	17.96072488	18.82206747	17.66761194	16.89032258	18.33118867	18.19665238	17.79442667	18.70694809	18.1122508	17.64699477	19.63106738	18.16148284	17.88858361	17.38334986	17.58010481	17.36442609	18.56973404	17.80771256	17.296307	17.67604742	16.82840209	18.01057308	17.31014277	17.12222924	17.26438881	17.16020488	17.71449997	17.31356157	16.11600233	16.9078153	17.79440146	17.02253832	16.72193799	17.49568235	18.86286607	16.67573953	17.08813203	17.97145569	16.91311228	17.45356768	17.52107867	17.85177257	17.39121446	18.58420145	17.7292444	18.77268385	18.08373981	17.64720245	17.46170203	17.913695	17.87754187	18.3138734	17.15527438	18.16413511	17.56729679	17.47160343	16.77464072	17.79597387	18.17618505	17.27482751	17.22895586	17.44193457	18.15377115	18.50327091	18.82088315	17.21220842	16.28585801	17.50996745	18.01950886	19.51796551	18.25708288	17.89205881	17.70827957	17.51759348	17.88958574	18.30483075	18.69659115
Oxidized glutathione	21.97054995	21.2533848	21.88707866	22.15855692	21.06155556	22.15639612	22.02971804	21.8408066	22.11614286	22.07308262	21.45943268	21.15661344	22.09463611	21.83838381	21.00641191	21.86435636	21.33166114	22.15176169	21.09341689	21.47198737	20.88707567	21.75536213	22.12984558	21.497155	21.85792234	21.5565355	21.94728168	21.43186382	21.73032759	21.61665138	21.45312384	21.75131929	21.732615	21.71806636	21.05291848	21.81832017	20.84387938	21.49251551	21.04069633	21.32404544	20.97835259	21.61527227	21.01119128	21.40735061	22.02108143	20.82959027	21.5485	21.24143815	21.21769268	21.28717387	21.530124	21.11066621	21.09280201	21.2802583	21.23908246	21.49694801	21.54925752	21.37375243	22.20254046	21.39833937	21.4127529	21.58252047	21.59651214	21.40541127	21.41172381	20.46683716	21.18963565	21.79302307	20.77445929	21.09106572	20.95799579	21.482097	19.83286973	21.32273277	21.80968249	21.12003037	21.14776279
p-aminobenzoate	14.81888808	14.2743413	14.01029543	14.5033951	13.9764923	14.27804944	13.89272952	13.52542377	14.45553046	14.25846666	14.59043134	14.0025305	14.85493463	14.6058434	14.30955783	14.08435681	14.17178814	13.81048727	13.9652876	14.88518797	14.46513489	14.54378817	14.35139172	14.38789043	14.10771887	14.4526478	14.4866948	14.16691561	14.31202324	14.08158323	13.93203443	14.60743355	13.97344536	14.17667231	14.19780121	13.76504019	14.46787126	14.44504924	13.72179733	14.36432322	14.10402747	14.42251725	13.72371496	13.61753178	14.5108929	13.80905527	14.48393205	14.04154335	14.32824809	14.62857052	13.90732999	14.0190373	13.48043293	14.89025924	13.66274402	14.05807813	14.44365851	14.06324985	14.75279525	14.46019054	13.56358295	13.64310665	14.087582	13.98888472	14.17430244	14.04556873	14.04261284	14.03349328	14.4531031	14.32879113	14.4986407	14.02452666	14.28883672	14.35500813	14.08501757	14.69977258	13.58396214
Phenyllactic acid	14.61470265	12.52667521	14.98976342	14.47281753	14.05539813	13.28909565	14.31789505	16.46070258	17.80112274	12.92427484	13.80129644	14.66258381	14.31976733	16.56228178	16.07734601	15.90977383	14.73402818	14.9073359	15.63609304	13.02586786	12.98976271	14.2446034	14.28844515	13.84665328	15.24557625	16.11741094	15.07671521	13.75640713	14.40292771	15.22604992	12.8558422	12.16550658	15.24099352	13.43649075	12.78246159	14.53127626	11.81744554	11.97998229	15.39102918	15.1150075	11.59245673	14.47120446	12.59193083	14.34148026	14.50791559	14.37508806	13.48933685	14.71748353	14.53979176	13.37731267	13.14413759	16.35412233	14.04607568	15.04012918	11.72108213	13.11915954	15.76418147	14.6538985	13.83807477	14.89264384	15.15724418	14.23506706	12.51510265	14.0827003	14.0173741	14.86226308	15.46357578	15.66068964	15.19140366	14.75044466	12.54045778	12.64704461	14.4183421	14.95635239	11.59574033	12.00882584	15.62396442
Phosphoenolpyruvate	15.71464833	14.72006122	15.32295163	15.9338768	14.48479489	16.0122137	14.84244822	14.50155686	14.91025236	15.32246646	15.65357809	15.3452566	14.79654266	15.39707813	15.18525664	15.14669985	13.86146945	15.09402754	13.8314756	15.02286537	14.5478925	15.07303059	14.7610945	14.76863052	15.21939463	15.07938069	15.74789529	14.987742	14.41794523	14.92087456	15.37723552	15.08420113	14.59636517	15.88587712	15.0492705	14.95110165	14.28752653	14.53550977	15.54227657	14.66239327	15.18814201	15.30921152	14.63501914	15.4479543	14.61974291	15.39019926	15.52730605	15.1445646	15.1271459	14.6050929	15.67512589	14.29343043	14.29513746	13.95508265	14.61351685	15.27628636	14.99713077	15.56166454	14.61542054	14.49787237	15.28087287	15.33135525	15.21301111	15.23753055	14.57726643	14.90083442	14.59537684	14.28512258	14.09352359	14.73896532	14.62381462	15.43231151	15.26540184	15.11207712	14.57524693	14.65904415	14.96089732
Prephenate	11.61325519	11.70562544	10.75429692	10.98442265	12.0042811	10.7700356	10.9835235	10.00831835	10.13711974	15.30692506	10.29268574	11.29492222	11.72744114	12.32792612	11.46046492	11.5518896	11.5392292	11.49933784	11.30096857	10.6244009	11.3609255	10.81605428	11.13329883	11.27788604	11.63018022	12.66921753	11.42116609	12.15133343	11.17633079	10.27007113	10.79285969	11.62313322	11.15864133	11.35430683	11.1194398	11.8342839	11.681399	11.19376271	11.16258672	11.07447923	11.81683688	11.89231332	10.44687586	10.75450642	11.47134264	11.86703907	11.46917799	10.42407248	10.87690613	13.10442284	11.77357391	10.71804837	12.78739695	11.6060812	11.37323955	11.71086162	10.301307	11.35501758	10.98774632	11.53669103	10.69449142	14.91724486	11.20103983	11.07725023	11.14004031	12.06924077	12.69740699	10.87134001	11.34712149	11.49849441	11.91001261	11.65356627	11.77344419	12.36520659	11.61387428	10.569201	11.51375975
Pyroglutamate	15.19615395	14.73390299	14.71230918	15.38614608	15.51867954	15.94155958	15.53609974	15.17942466	15.74003065	14.34414631	14.71120865	15.14376129	15.70850868	15.46579148	14.78261929	16.06308118	14.75010659	15.86120645	16.35833935	14.30889867	15.59390825	15.16197719	14.61652404	15.07585625	15.08708199	15.46769646	15.16509653	15.21556794	15.09197828	15.28234251	14.89531347	14.71274864	16.06287533	15.44156662	14.88617886	15.77341663	14.9214182	14.55493867	15.78856914	15.46778186	15.67545154	15.61528827	14.55751426	14.94734187	14.90369228	15.21463383	15.94249882	15.23778246	15.10488706	15.18591649	15.41408713	15.31971064	14.89224338	15.00575658	14.95140232	15.35929885	15.57771488	15.64155601	16.27446565	15.59760993	15.5086159	15.67985217	16.01273667	15.6390164	15.76303801	15.55627901	14.96121818	14.99179341	15.30306671	15.07373025	14.92251594	15.3397063	14.96618603	15.41681398	15.23599136	14.94411743	15.94404893
Pyrophosphate	20.23631661	19.02905035	19.47687828	18.78030551	18.29908952	19.02007334	19.83731995	18.98028225	19.11038569	18.7227543	19.34453462	19.49921243	19.44710065	19.34115391	20.68469745	19.97772576	20.19421063	20.43636529	18.76119949	19.33414345	19.02033457	18.07558771	19.24987672	18.55775871	18.53631361	18.81585501	19.12110627	19.40747999	18.81757825	19.01252738	18.75703653	17.90133848	19.44763856	19.14722235	18.58798466	19.56114718	19.477876	18.93265939	19.45898949	18.91532472	19.08018915	18.60733606	18.99926786	19.74012118	18.69520933	18.81839834	18.39582202	19.41961693	19.02097497	18.97182638	18.5507901	18.7873278	20.10506635	19.07696161	18.20578494	19.71747441	18.71617366	20.05562516	18.97684516	18.86267156	19.05619519	19.36477002	18.03191595	19.28858901	19.9173738	19.11499799	18.75574549	18.48346708	18.75831815	18.80989017	18.43758446	18.66700118	19.12254469	18.3155295	19.02331263	18.81694832	19.74525508
Reduced nicotinamide Adenine Dinucleotide	18.6752787	19.02314392	18.76008182	19.72747105	19.24782998	19.86330441	19.36955809	18.54986731	19.63214377	19.36625315	19.17841767	18.82986554	19.27591402	19.64812144	19.5458323	19.36206493	18.87206536	19.05459081	18.92451172	19.18820316	19.36644856	19.4830774	18.52048787	18.95529557	18.40263887	18.79819317	19.14636622	19.65006608	18.23346561	18.98657218	18.20381293	19.51195298	19.16515697	19.46017181	19.28450492	19.67452593	18.82168007	18.90422077	18.56898112	19.38148976	18.89976144	19.48270166	18.5247718	19.29460856	19.13095282	18.63136517	17.86430108	18.99345303	19.19738909	19.39220958	18.62428352	20.94534525	18.66353833	19.64422826	18.72498652	19.06891005	19.03383278	19.84077007	17.91663848	18.92703809	19.48407898	18.17196507	18.56544163	19.41630601	19.77552594	19.88956705	19.52136121	19.70327039	19.62659871	19.05892502	17.93632743	18.80621021	19.4320568	18.12309197	18.88082869	18.54301085	20.21381742
Reduced nicotinamide adenine dinucleotide phosphate	16.70945353	16.68131028	16.77235688	16.22619336	16.56178855	16.31148154	15.7602944	15.70311807	16.09441297	16.79229971	16.27695596	16.09801985	16.82207745	17.16991331	16.74236166	15.69264909	15.88429783	15.48619839	16.07627582	15.89677824	16.70515166	16.9570738	16.63309548	16.37554557	16.12052202	16.63355168	16.63878439	16.37898493	16.93310797	16.02421728	15.96565852	15.46892682	15.38808405	16.70419563	16.67879922	16.28757066	16.14950725	17.08349222	16.45783396	16.38265273	16.03070586	16.546974	15.69110655	15.5374125	16.54965484	16.20464753	16.91199983	16.67390168	15.73000623	16.30822908	16.31378095	16.9599172	14.95108929	16.7523887	16.17029684	16.14770809	15.95217186	16.32451762	16.94974268	17.22801814	15.37973246	16.49069502	16.02148542	16.53299608	15.80670525	16.04667903	16.45482136	16.23377435	16.80566921	16.7942987	16.62614527	16.55587592	16.27549089	16.8128616	15.77378883	16.43193036	15.75220367
Saccharopine	16.37320176	16.46447022	15.81622133	15.954646	16.30520577	15.94658708	16.02373837	15.96689618	16.02536538	15.85929738	16.12144105	15.95712259	15.79700839	16.26918013	16.42575605	16.35474425	15.9290299	15.63458516	15.96394706	16.35181271	16.48823453	16.21558382	16.24815206	16.07288681	16.23970674	16.32105946	16.00271697	16.20814337	16.08540331	16.15359909	16.45060723	16.72427992	16.32369238	16.4677004	16.10356968	16.01432328	16.36375184	16.29871837	16.43329098	16.09709668	16.43701934	16.21038887	16.30300501	16.19893116	16.11145751	16.4981912	16.36659302	15.96980616	15.87246465	16.25714463	16.29244853	15.62544975	16.09451485	16.19153738	16.32154754	16.22049185	15.88156033	16.39672532	16.23264718	16.40560037	15.94336621	16.29018444	16.45959585	16.29468839	15.89102949	15.94149623	15.92381148	15.65043573	15.82607454	15.9463271	16.18258185	16.27428603	16.16087898	16.46273878	16.23720612	16.07493783	16.04805742
S-adenosyl-L-homocysteine	16.97568663	17.05677098	16.78580019	17.06014863	16.91106265	16.78825856	17.5306291	16.77670543	17.83936602	17.25907512	16.92137895	17.33706069	17.22424851	17.93779326	17.01744606	17.50120562	16.78059593	17.24947379	16.4304212	17.38157071	17.37120358	16.5217556	16.35856004	16.71585983	16.46582252	16.47204953	16.93002715	16.3941465	15.84590041	16.3378253	16.68667641	16.2650574	16.47737985	16.80177118	16.71231751	16.93287131	16.21897844	16.1320899	16.64602232	16.84776964	16.6680638	16.36369846	16.64290786	16.61461077	16.13410764	16.58687084	16.21747883	16.36478348	16.52186934	16.66209239	16.69958415	17.06605386	18.66581248	17.68866583	17.05755101	16.50318472	16.39951714	16.91214674	16.38190159	16.04738648	16.90346199	17.15626911	16.22933428	16.93074116	18.49575376	16.86850048	16.99877619	17.49979995	16.59949643	16.5791515	16.80163099	16.41319059	16.41882735	16.54748441	17.23888074	16.60451411	17.57910424
Succinate	23.97477647	24.01451375	23.97187481	24.14131469	24.39440595	24.283435	23.6493621	24.10677661	23.77419065	23.23171372	24.06637658	23.97738142	24.03273299	23.78976654	24.64180683	23.96896651	24.57193167	24.07756575	23.09189404	23.82268637	23.99261785	23.85121047	23.68724389	23.92595399	23.38611839	23.55957983	23.83192556	23.76477302	23.70514121	24.01724488	23.95935191	23.74262378	24.14581965	24.3943277	23.81084176	23.60737644	23.79846376	24.25233117	23.99115558	24.41872319	24.20162702	24.61083679	23.68981369	24.13476147	24.20241416	24.02316874	23.8700304	24.11230653	24.74756438	24.28692731	24.22968263	23.51000967	21.83087869	23.89875963	23.94741039	24.0491721	24.43436322	24.63825895	23.71666378	23.96942312	23.5105584	23.68583962	23.71322905	24.18511509	24.67080938	24.28133534	23.921062	23.98542689	24.39905464	24.28795105	23.81949111	24.29015915	24.46286446	23.90660978	23.81658229	24.0484654	23.85316001
Taurodeoxycholate	9.944455448	11.05874627	13.29311737	13.05955015	14.79716204	11.67054179	12.84961103	10.84414571	11.24763602	11.12541404	9.887375771	8.084293677	13.0821036	13.26566587	10.83838045	10.92866006	13.76971334	13.14354485	11.2950028	10.82529139	11.43610435	11.23717243	12.00102962	12.25782055	10.71511633	12.37110951	11.19096765	12.2477455	10.94157719	13.06727047	11.34887028	9.992717578	14.90370606	13.66496747	10.57730762	12.95667308	10.9188474	12.78659793	11.07307869	14.73194674	15.46330576	13.21602853	13.29288251	12.66510715	10.78100901	12.94658128	12.45077876	12.43774055	12.67105423	13.22211652	11.38059203	12.06702415	11.88979278	11.1500217	13.7075177	10.63101426	12.62617523	11.64249906	10.40874266	13.32666458	10.81429346	12.06331543	12.43793849	11.74806087	10.56847879	10.97871394	11.00739213	12.87655044	11.21078346	12.24670239	11.48980628	11.76452098	13.46280831	12.48527194	15.46673272	10.86785993	15.29957123
Thiamine pyrophosphate	16.16976745	15.69953793	15.34876043	14.91051632	15.61328955	15.78197722	16.26293414	15.83235168	16.87414581	15.85638322	15.39148948	15.65176622	16.1559404	16.19519971	15.92802022	15.93015942	16.68260675	16.33286562	16.22313519	15.13280156	15.4820486	15.32894115	15.99851963	15.9659316	15.06301863	15.70541745	15.98391257	15.35497204	16.0798269	15.83820114	15.40277276	15.04088506	16.99651162	15.81078445	15.85382209	16.36483976	16.86320023	14.8707218	16.00036539	16.29218965	15.98116342	15.75259276	16.36031528	16.27372899	15.44575155	16.25282676	16.16338352	15.76699618	15.78066836	14.78831505	15.57244299	15.93158508	16.27659836	15.53078792	15.66965997	15.68378333	16.26653405	15.877546	16.15383276	16.00598921	16.5819294	16.02029546	16.32120295	16.41979576	16.67552217	16.39197289	15.91320269	16.39390387	15.78128059	15.58381151	15.99766802	16.15209111	16.02520879	15.58558681	16.50485665	15.1595978	15.58783319
Thymidine	16.15958095	16.2558477	15.89132264	16.40466383	15.94630867	16.71321888	16.46274292	16.45508582	16.28003308	16.20610203	16.3143096	16.65822727	15.84596038	16.56293047	16.77416522	16.27530519	16.01918253	17.29374292	16.69749647	16.28474335	16.4846659	16.45062347	16.69892033	15.76891065	16.33605669	15.65304807	15.86562986	15.70514022	15.9212808	16.20277294	16.36057577	15.41435059	15.70548683	16.61010215	15.44324515	16.12238753	15.7610394	15.25505881	16.02003963	16.29571843	14.8143054	16.009473	16.28187567	16.22835235	15.47459205	15.92062459	15.71899198	15.97853731	16.2216261	15.76225432	16.26472911	16.65974359	16.75154188	17.17735553	15.44109145	16.36098966	16.4863004	16.28826972	15.46738843	15.72830566	16.88420933	15.79378938	16.89040483	16.21460695	15.91122955	16.02640974	16.42254234	16.22203221	16.05250575	16.7958308	15.8543467	16.59174983	16.38179161	16.64130104	15.76596455	16.29257109	16.91325678
Uracil	16.25730476	18.13370203	18.12016796	16.75584952	16.99330362	18.71391322	16.98499517	16.65708954	16.34825387	17.83377214	16.95888102	17.63083232	16.2680215	16.74599243	16.62786368	17.39107597	18.05486761	16.83499397	17.05737663	18.30195585	17.56828618	17.88485294	18.18637749	18.42060151	17.07819807	17.43697901	17.00152287	16.732997	18.11135721	17.1173647	18.013023	17.24464907	16.55553471	17.65536191	16.97164924	16.88004047	18.08620033	17.91752583	18.30798066	16.853757	17.89104783	18.48607223	18.09605094	16.57593735	17.7531523	17.35380968	15.77091794	16.76920031	17.46294253	17.87750573	16.85761296	17.2806389	17.01892842	16.8234702	18.38986384	17.54823543	16.77596146	16.85248848	16.50494588	17.43331366	16.31706795	17.66295917	16.87918152	16.87663585	16.36689024	17.74975206	17.42439882	16.85486943	17.71363576	17.10361852	17.29365202	18.38178393	18.29367504	16.6766169	17.72585346	17.73810705	17.96835349
Urate	22.30557627	21.83617217	22.59313806	21.93149147	20.65988218	21.71530157	21.94568089	22.55976732	20.85877661	21.91213376	21.20908873	22.06421281	21.71337307	21.33162417	22.50377567	21.39682661	21.0294397	22.57455912	21.8196749	23.29780208	21.98941414	21.43477719	21.97307894	22.4146647	22.25542388	22.00500599	22.60290881	21.5581511	22.03285414	22.02989727	22.05074488	22.52916068	21.95565163	21.78007317	22.33662838	22.03498775	22.43648895	22.11815248	21.45127812	22.3193806	22.00356911	22.13995708	22.82058983	21.66934345	22.05637248	22.20358019	21.61076491	21.92289723	22.01205067	21.61412933	21.40962512	22.05742027	21.82807172	21.51109519	22.64939587	22.59948946	22.27547845	22.72394622	22.63827163	21.76605198	22.5967894	21.63429128	22.247273	21.26680911	22.09447379	21.76184149	21.95962632	21.90784562	22.35560356	21.45891133	22.03082625	22.62577621	21.82748992	22.22802574	22.31677059	22.27110057	22.04702161
Uridine 5'-diphosphate	14.00987249	14.11851453	14.29187169	13.93946717	14.42442696	15.46108664	14.48909186	14.85665982	12.99866214	14.33910254	13.99941607	14.65663534	14.29782941	14.0443535	14.5979535	14.69433128	14.64209938	14.42117314	14.97948554	14.61920726	14.50611009	14.47818814	13.99630449	15.138209	14.88023156	14.53919981	13.93143849	14.71660995	13.90066713	14.02148664	14.48468985	15.31633847	12.55156151	15.25098449	14.98267877	14.16469467	13.54564421	14.37819706	14.48555727	14.62644835	14.76830633	14.15555895	15.07934513	13.44191923	13.73981548	14.44015133	14.28901335	13.67251146	15.07494717	14.4306301	14.5165811	13.8988918	13.71466436	14.94432573	14.64464373	15.12691403	14.88744263	14.59708636	14.27124523	13.85268123	14.66578526	14.15408891	14.58439686	13.94628549	13.08159286	14.41981001	14.64690911	14.01548157	14.75668452	14.66387691	14.18268701	14.23765793	15.08719014	14.52525523	14.67048372	15.15393263	14.74770811
Uridine diphosphate-N-acetylglucosamine	10.68829083	10.46472351	11.19571074	10.5120073	9.423047835	9.975899396	10.1380787	10.10341398	9.729243445	10.81821683	10.50554103	10.67600809	10.5527382	9.596043241	9.781449794	9.661498378	10.15843806	10.58988449	9.176162861	9.997602143	10.72994927	9.740946842	11.05299599	10.62641951	10.76505951	9.766955577	10.39898033	9.685894442	10.52613686	9.339092064	10.26711406	9.724634139	10.51483784	10.4510184	15.28726455	9.192974316	10.16999944	10.60916484	9.437448664	10.0056053	10.71068967	9.49502062	10.56233255	10.68663338	10.394211	10.51980782	11.42521929	10.8549243	10.5965871	10.28890413	10.81615276	10.39103292	11.42514572	9.670081038	10.58581781	10.59530731	9.919786342	10.16316264	10.96068294	11.37825593	9.329751307	10.55025816	10.37010121	10.83873977	13.54069664	10.43711046	10.44633303	10.37563792	10.70324242	11.22307008	10.34746659	10.66592189	10.28820842	10.0918094	10.91024694	10.94275619	9.476286415
Xanthosine	14.95291378	15.56216606	15.48859122	9.55129896	13.64225552	13.44911504	14.46540562	16.99772067	13.95274354	16.22486628	14.22315409	14.19419871	16.89904609	13.38963873	15.16837017	8.572091482	13.47897407	12.8991381	14.81813309	16.10313359	16.84894094	14.27881223	14.37275624	14.27453562	8.926991312	14.23033376	13.05303163	15.68319636	15.96540943	9.122894626	14.12708317	9.356239328	16.07639542	9.708409826	9.811298375	11.53637669	16.58366598	16.57480694	13.83367061	10.73857656	9.059899739	11.97951822	15.34088227	18.47319546	9.638882359	10.83914471	8.279654121	15.42987047	9.361433918	16.01154895	16.40883268	12.24668202	17.77705175	18.00659552	10.11832749	10.16683622	9.500143199	12.04507542	13.74151072	7.709929369	13.02548085	16.70022033	15.43356547	14.69372483	16.96181303	11.44665832	13.07426914	17.06285755	11.05523056	9.52062022	11.37150959	9.40157005	15.32840419	9.112152178	9.603299749	15.93035555	9.556236125
Xanthurenate	12.91699257	11.65496977	12.78659628	13.23330926	13.45320906	14.21207633	12.47402853	12.63366521	13.25247277	13.83542623	12.13919096	13.46609015	12.75514246	13.46747887	14.32714711	12.88849609	13.13955334	12.23352426	12.87329111	11.45629377	13.80257451	13.24805711	13.89082035	13.15680287	13.48152808	13.01441971	12.77501028	13.97779921	13.21751162	13.07196457	13.20100768	13.38095524	13.53962499	14.13002644	13.12887099	13.45207992	13.08978767	13.28751476	12.15802179	13.29400536	13.78492115	13.44436587	13.83981036	12.63175901	12.96292947	13.44456511	13.59494594	13.76800812	13.40946265	13.72584673	13.51499862	13.08199898	13.33035238	13.04379158	13.63263271	12.96191712	13.70140635	13.70496791	12.91338264	13.36248889	13.12009935	13.23277397	13.38303064	13.27735911	13.78869628	13.318391	13.49223876	12.7959963	13.37974352	13.85340743	13.89020348	13.882141	13.03182353	13.37751036	12.86689664	12.69292991	13.3266125
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG	HMDB
2-Aminoadipate	C00956	HMDB0000510
2-Hydroxy-2-methylbutyrate	-	HMDB0001987
2-Hydroxyglutarate	C02630	HMDB0059655
2-Isopropylmalate	C02504	HMDB0000402
2-Ketohexanoate	C00902	HMDB0001864
3-Hydroxybutyrate	C01089	HMDB0000011
3-Hydroxykynurenine	C02794	HMDB0000732
3-Methyl-2-oxobutyrate	C00141	HMDB0000019
3-Phosphoglycerate	C00597	HMDB0000807
3-Ureidopropionate	C02642	HMDB0000026
Acetyl-CoA	C00024	HMDB0001206
Adenosine diphosphate	C00008	HMDB0001341
Adenosine monophosphate	C00020	HMDB0000045
Adenosine triphosphate	C00002	HMDB0000538
Anthranilate	C00108	HMDB0001123
Arginosuccinate	C03406	HMDB0000052
Ascorbate	C00072	-
Biotin	C00120	HMDB0000030
Cholesterol sulfate	C18043	HMDB0000653
cis-Aconitic acid	C00417	HMDB0000072
Citraconate	C02226	HMDB0000634
Citrate	C00158	HMDB0000094
Deoxycholate	C04483	HMDB0000626
Erythrose 4-phosphate	C00279	HMDB0001321
Flavin Mononucleotide	C00061	HMDB0001520
Fructose 1,6-bisphosphate	C05378	HMDB0001058
Fructose 6-phosphate	C00085	HMDB0000124
Fumarate	C00122	HMDB0000134
Glucose	C00031	-
Glucose 6-phosphate	C00092	HMDB0001401
Glutarylcarnitine	-	HMDB0013130
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
Lactulose	C07064	HMDB0000740
Malate	C00149	HMDB0000156
Malonate	C00383	-
Malonyl-coenzyme A	C03188	HMDB0001175
Mevalonate	C00418	HMDB0000227
N-Acetyl-L-Alanine	-	HMDB0000766
N-Carbamoyl-L-aspartate	C00438	HMDB0000828
Nicotinamide adenine dinucleotide	C00003	HMDB0000902
Nicotinamide adenine dinucleotide phosphate	C00006	HMDB0000217
Nicotinate	C00253	HMDB0001488
Oxaloacetate	C00036	HMDB0000223
Oxidized glutathione	C00127	HMDB0003337
p-aminobenzoate	C00568	HMDB0001392
Phenyllactic acid	C01479	HMDB0000779
Phosphoenolpyruvate	C00074	HMDB0000263
Prephenate	C00254	HMDB0012283
Pyroglutamate	C01879	HMDB0000267
Pyrophosphate	C00013	HMDB0000250
Reduced nicotinamide Adenine Dinucleotide	C00004	-
Reduced nicotinamide adenine dinucleotide phosphate	C00005	-
Saccharopine	C00449	HMDB0000279
S-adenosyl-L-homocysteine	C00021	HMDB0000939
Succinate	C00042	HMDB0000254
Taurodeoxycholate	C05463	HMDB0000896
Thiamine pyrophosphate	C00068	HMDB0001372
Thymidine	C00214	HMDB0000273
Uracil	C00106	HMDB0000300
Urate	C00366	HMDB0000289
Uridine 5'-diphosphate	C00015	HMDB0000295
Uridine diphosphate-N-acetylglucosamine	C00043	HMDB0000290
Xanthosine	C01762	HMDB0000299
Xanthurenate	C02470	HMDB0000881
METABOLITES_END
#END