#METABOLOMICS WORKBENCH msadykov_20220525_174742 DATATRACK_ID:3283 STUDY_ID:ST002187 ANALYSIS_ID:AN003581 PROJECT_ID:PR001394
VERSION             	1
CREATED_ON             	June 2, 2022, 3:13 pm
#PROJECT
PR:PROJECT_TITLE                 	Interplay of CodY and CcpA in regulating central metabolism and biofilm
PR:PROJECT_TITLE                 	formation in S. aureus
PR:PROJECT_TYPE                  	Staphylococcus aureus
PR:PROJECT_SUMMARY               	Staphylococcus aureus is a medically important pathogen that exhibit high
PR:PROJECT_SUMMARY               	metabolic versatility allowing it to infect various niches within a host. S.
PR:PROJECT_SUMMARY               	aureus utilizes two major transcriptional regulators, CodY and CcpA, to remodel
PR:PROJECT_SUMMARY               	metabolic and virulence gene expression in response to changing environmental
PR:PROJECT_SUMMARY               	conditions. Previous studies revealed that inactivation of either codY or ccpA
PR:PROJECT_SUMMARY               	has a pronounced impact on different aspects of staphylococcal physiology and
PR:PROJECT_SUMMARY               	pathogenesis. To determine the contribution and interplay of these two
PR:PROJECT_SUMMARY               	regulators in modulating central metabolism, virulence, and biofilm development
PR:PROJECT_SUMMARY               	we constructed and characterized codY ccpA double mutant in S. aureus UAMS-1. In
PR:PROJECT_SUMMARY               	line with previous studies, we found that CcpA and CodY control cellular
PR:PROJECT_SUMMARY               	metabolic status by altering carbon flow through the central and overflow
PR:PROJECT_SUMMARY               	metabolic pathways. Our results demonstrate that ccpA inactivation impairs
PR:PROJECT_SUMMARY               	biofilm formation and decreases incorporation of eDNA into the biofilm matrix
PR:PROJECT_SUMMARY               	while disrupting codY resulted in a robust structured biofilm tethered together
PR:PROJECT_SUMMARY               	with eDNA and PIA. Interestingly, inactivation of both codY and ccpA decreases
PR:PROJECT_SUMMARY               	biofilm biomass and neglects eDNA release in the double mutant. Compared to
PR:PROJECT_SUMMARY               	inactivation of codY, the codY ccpA mutant did not overexpress toxins but
PR:PROJECT_SUMMARY               	maintained overexpression of amino acid metabolism pathways. Furthermore, codY
PR:PROJECT_SUMMARY               	ccpA mutant produced higher amounts of PIA, in contrast to the wild-type strain
PR:PROJECT_SUMMARY               	and ccpA mutant. Overall, results of this study suggest that interplay between
PR:PROJECT_SUMMARY               	CodY and CcpA modulates central metabolism to optimize growth on preferred
PR:PROJECT_SUMMARY               	carbon sources while repressing virulence gene expression until nutrient
PR:PROJECT_SUMMARY               	limitation requires scavenging nutrients from the host
PR:INSTITUTE                     	University of Nebraska Medical Center
PR:DEPARTMENT                    	Pathology and Microbiology
PR:LAST_NAME                     	Sadykov
PR:FIRST_NAME                    	Marat
PR:ADDRESS                       	UNMC Department of Pathology and Microbiology 985900 Nebraska Medical Center
PR:ADDRESS                       	Omaha, NE 68198-5900
PR:EMAIL                         	msadykov@unmc.edu
PR:PHONE                         	402-559-4186
PR:CONTRIBUTORS                  	Dhananjay Shinde, Ahn, Jongsom
#STUDY
ST:STUDY_TITLE                   	Interplay of CodY and CcpA in regulating central metabolism and biofilm
ST:STUDY_TITLE                   	formation in S. aureus
ST:STUDY_TYPE                    	Research
ST:STUDY_SUMMARY                 	Staphylococcus aureus is a medically important pathogen that exhibit high
ST:STUDY_SUMMARY                 	metabolic versatility allowing it to infect various niches within a host. S.
ST:STUDY_SUMMARY                 	aureus utilizes two major transcriptional regulators, CodY and CcpA, to remodel
ST:STUDY_SUMMARY                 	metabolic and virulence gene expression in response to changing environmental
ST:STUDY_SUMMARY                 	conditions. Previous studies revealed that inactivation of either codY or ccpA
ST:STUDY_SUMMARY                 	has a pronounced impact on different aspects of staphylococcal physiology and
ST:STUDY_SUMMARY                 	pathogenesis. To determine the contribution and interplay of these two
ST:STUDY_SUMMARY                 	regulators in modulating central metabolism, virulence, and biofilm development
ST:STUDY_SUMMARY                 	we constructed and characterized codY ccpA double mutant in S. aureus UAMS-1. In
ST:STUDY_SUMMARY                 	line with previous studies, we found that CcpA and CodY control cellular
ST:STUDY_SUMMARY                 	metabolic status by altering carbon flow through the central and overflow
ST:STUDY_SUMMARY                 	metabolic pathways. Our results demonstrate that ccpA inactivation impairs
ST:STUDY_SUMMARY                 	biofilm formation and decreases incorporation of eDNA into the biofilm matrix
ST:STUDY_SUMMARY                 	while disrupting codY resulted in a robust structured biofilm tethered together
ST:STUDY_SUMMARY                 	with eDNA and PIA. Interestingly, inactivation of both codY and ccpA decreases
ST:STUDY_SUMMARY                 	biofilm biomass and neglects eDNA release in the double mutant. Compared to
ST:STUDY_SUMMARY                 	inactivation of codY, the codY ccpA mutant did not overexpress toxins but
ST:STUDY_SUMMARY                 	maintained overexpression of amino acid metabolism pathways. Furthermore, codY
ST:STUDY_SUMMARY                 	ccpA mutant produced higher amounts of PIA, in contrast to the wild-type strain
ST:STUDY_SUMMARY                 	and ccpA mutant. Overall, results of this study suggest that interplay between
ST:STUDY_SUMMARY                 	CodY and CcpA modulates central metabolism to optimize growth on preferred
ST:STUDY_SUMMARY                 	carbon sources while repressing virulence gene expression until nutrient
ST:STUDY_SUMMARY                 	limitation requires scavenging nutrients from the host.
ST:INSTITUTE                     	University of Nebraska Medical Center
ST:DEPARTMENT                    	Pathology and Microbiology
ST:LAST_NAME                     	Sadykov
ST:FIRST_NAME                    	Marat
ST:ADDRESS                       	UNMC Department of Pathology and Microbiology 985900 Nebraska Medical Center
ST:ADDRESS                       	Omaha, NE 68198-5900
ST:EMAIL                         	msadykov@unmc.edu
ST:PHONE                         	4025594186
#SUBJECT
SU:SUBJECT_TYPE                  	Bacteria
SU:SUBJECT_SPECIES               	Staphylococcus aureus
SU:TAXONOMY_ID                   	1280
SU:GENDER                        	Not applicable
#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           	-	ccpA 6h_1	Genotype:ccpA	Treatment=6h; RAW_FILE_NAME=ccpA 6h_1.mzML
SUBJECT_SAMPLE_FACTORS           	-	ccpA 6h_2	Genotype:ccpA	Treatment=6h; RAW_FILE_NAME=ccpA 6h_2.mzML
SUBJECT_SAMPLE_FACTORS           	-	ccpA 6h_3	Genotype:ccpA	Treatment=6h; RAW_FILE_NAME=ccpA 6h_3.mzML
SUBJECT_SAMPLE_FACTORS           	-	ccpA 3h_1	Genotype:ccpA	Treatment=3h; RAW_FILE_NAME=ccpA 3h_1.mzML
SUBJECT_SAMPLE_FACTORS           	-	ccpA 3h_2	Genotype:ccpA	Treatment=3h; RAW_FILE_NAME=ccpA 3h_2.mzML
SUBJECT_SAMPLE_FACTORS           	-	ccpA 3h_3	Genotype:ccpA	Treatment=3h; RAW_FILE_NAME=ccpA 3h_3.mzML
SUBJECT_SAMPLE_FACTORS           	-	codY 6h_1	Genotype:ccpA	Treatment=6h; RAW_FILE_NAME=codY 6h_1.mzML
SUBJECT_SAMPLE_FACTORS           	-	codY 6h_2	Genotype:ccpA	Treatment=6h; RAW_FILE_NAME=codY 6h_2.mzML
SUBJECT_SAMPLE_FACTORS           	-	codY 6h_3	Genotype:ccpA	Treatment=6h; RAW_FILE_NAME=codY 6h_3.mzML
SUBJECT_SAMPLE_FACTORS           	-	codY 3h_1	Genotype:ccpA	Treatment=3h; RAW_FILE_NAME=codY 3h_1.mzML
SUBJECT_SAMPLE_FACTORS           	-	codY 3h_2	Genotype:ccpA	Treatment=3h; RAW_FILE_NAME=codY 3h_2.mzML
SUBJECT_SAMPLE_FACTORS           	-	codY 3h_3	Genotype:ccpA	Treatment=3h; RAW_FILE_NAME=codY 3h_3.mzML
SUBJECT_SAMPLE_FACTORS           	-	codY ccpA 6h_1	Genotype:codY ccpA	Treatment=6h; RAW_FILE_NAME=codY ccpA 6h_1.mzML
SUBJECT_SAMPLE_FACTORS           	-	codY ccpA 6h_2	Genotype:codY ccpA	Treatment=6h; RAW_FILE_NAME=codY ccpA 6h_2.mzML
SUBJECT_SAMPLE_FACTORS           	-	codY ccpA 6h_3	Genotype:codY ccpA	Treatment=6h; RAW_FILE_NAME=codY ccpA 6h_3.mzML
SUBJECT_SAMPLE_FACTORS           	-	codY ccpA 3h_1	Genotype:codY ccpA	Treatment=3h; RAW_FILE_NAME=codY ccpA 3h_1.mzML
SUBJECT_SAMPLE_FACTORS           	-	codY ccpA 3h_2	Genotype:codY ccpA	Treatment=3h; RAW_FILE_NAME=codY ccpA 3h_2.mzML
SUBJECT_SAMPLE_FACTORS           	-	codY ccpA 3h_3	Genotype:codY ccpA	Treatment=3h; RAW_FILE_NAME=codY ccpA 3h_3.mzML
SUBJECT_SAMPLE_FACTORS           	-	WT 6h_1	Genotype:WT	Treatment=6h; RAW_FILE_NAME=WT 6h_1.mzML
SUBJECT_SAMPLE_FACTORS           	-	WT 6h_2	Genotype:WT	Treatment=6h; RAW_FILE_NAME=WT 6h_2.mzML
SUBJECT_SAMPLE_FACTORS           	-	WT 6h_3	Genotype:WT	Treatment=6h; RAW_FILE_NAME=WT 6h_3.mzML
SUBJECT_SAMPLE_FACTORS           	-	WT 3h_1	Genotype:WT	Treatment=3h; RAW_FILE_NAME=WT 3h_1.mzML
SUBJECT_SAMPLE_FACTORS           	-	WT 3h_2	Genotype:WT	Treatment=3h; RAW_FILE_NAME=WT 3h_2.mzML
SUBJECT_SAMPLE_FACTORS           	-	WT 3h_3	Genotype:WT	Treatment=3h; RAW_FILE_NAME=WT 3h_3.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Strains were inoculated in 3 ml of TSB containing 14 mM glucose in glass tubes
CO:COLLECTION_SUMMARY            	(Fisher Scientific, cat# 14-961-29) for 16 h and adjusted to an OD600 of 0.05 in
CO:COLLECTION_SUMMARY            	50 ml TSB containing 14 mM glucose in 500 ml flasks and grown at 250 rpm, 37oC
CO:COLLECTION_SUMMARY            	for 3 h or 6 h. Culture volumes corresponding to OD600 of 10 optical units were
CO:COLLECTION_SUMMARY            	harvested and rapidly filtered through a membrane (0.45 μm, Millipore Cat#
CO:COLLECTION_SUMMARY            	MIHAWG100) using Microfil® Filtration Funnels (Millipore, Cat# HAWG047S6) and
CO:COLLECTION_SUMMARY            	EZ-FITTM Manifold Base, 6 Place Stainless Steel (Millipore, Cat# EZFITBASE6).
CO:COLLECTION_SUMMARY            	The cells on the membrane were washed twice with 5 ml of 0.6% saline and then
CO:COLLECTION_SUMMARY            	immediately quenched in 5 ml of ice-cold 60% ethanol containing Br-ATP (final
CO:COLLECTION_SUMMARY            	concentration 2 μM) as internal control. The cells were mechanically disrupted
CO:COLLECTION_SUMMARY            	using 0.1 mm diameter Glass beads (biospec, Cat# 11079101) and bead homogenizer
CO:COLLECTION_SUMMARY            	for 30 s at 6,800 rpm, 3 cycles, 10 sec pause, 4oC(Precellys Evolution, bertin
CO:COLLECTION_SUMMARY            	technologies) and centrifuged at 13,000 rpm, 10 min at 4oC to remove cell
CO:COLLECTION_SUMMARY            	debris. The supernatant containing intracellular metabolites were separated, and
CO:COLLECTION_SUMMARY            	3 ml was added to 17 ml DW, frozen, lyophilized using FreeZone 4.5 Liter
CO:COLLECTION_SUMMARY            	(labconco, Catalog #: 720401050), , and stored in a ultra-low temperature
CO:COLLECTION_SUMMARY            	freezer set at -80°C until further analysis.
CO:SAMPLE_TYPE                   	Bacterial cells
CO:STORAGE_CONDITIONS            	-20℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Staphylococcus aureus UAMS-1 wild-type strain (WT) Staphylococcus aureus UAMS-1
TR:TREATMENT_SUMMARY             	codY::ermC mutant (codY) Staphylococcus aureus UAMS-1 ccpA::tetM mutant (ccpA)
TR:TREATMENT_SUMMARY             	Staphylococcus aureus UAMS-1 codY::ermC ccpA::tetM mutant (codY ccpA)
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Strains were inoculated in 3 ml of TSB containing 14 mM glucose in glass tubes
SP:SAMPLEPREP_SUMMARY            	(Fisher Scientific, cat# 14-961-29) for 16 h and adjusted to an OD600 of 0.05 in
SP:SAMPLEPREP_SUMMARY            	50 ml TSB containing 14 mM glucose in 500 ml flasks and grown at 250 rpm, 37oC
SP:SAMPLEPREP_SUMMARY            	for 3 h or 6 h. Culture volumes corresponding to OD600 of 10 optical units were
SP:SAMPLEPREP_SUMMARY            	harvested and rapidly filtered through a membrane (0.45 μm, Millipore Cat#
SP:SAMPLEPREP_SUMMARY            	MIHAWG100) using Microfil® Filtration Funnels (Millipore, Cat# HAWG047S6) and
SP:SAMPLEPREP_SUMMARY            	EZ-FITTM Manifold Base, 6 Place Stainless Steel (Millipore, Cat# EZFITBASE6).
SP:SAMPLEPREP_SUMMARY            	The cells on the membrane were washed twice with 5 ml of 0.6% saline and then
SP:SAMPLEPREP_SUMMARY            	immediately quenched in 5 ml of ice-cold 60% ethanol containing Br-ATP (final
SP:SAMPLEPREP_SUMMARY            	concentration 2 μM) as internal control. The cells were mechanically disrupted
SP:SAMPLEPREP_SUMMARY            	using 0.1 mm diameter Glass beads (biospec, Cat# 11079101) and bead homogenizer
SP:SAMPLEPREP_SUMMARY            	for 30 s at 6,800 rpm, 3 cycles, 10 sec pause, 4oC(Precellys Evolution, bertin
SP:SAMPLEPREP_SUMMARY            	technologies) and centrifuged at 13,000 rpm, 10 min at 4oC to remove cell
SP:SAMPLEPREP_SUMMARY            	debris. The supernatant containing intracellular metabolites were separated, and
SP:SAMPLEPREP_SUMMARY            	3 ml was added to 17 ml DW, frozen, lyophilized using FreeZone 4.5 Liter
SP:SAMPLEPREP_SUMMARY            	(labconco, Catalog #: 720401050), , and stored in a ultra-low temperature
SP:SAMPLEPREP_SUMMARY            	freezer set at -80°C until further analysis.
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Triple-quadrupole-ion trap hybrid mass spectrometer viz., QTRAP6500+ (Sciex,
CH:CHROMATOGRAPHY_SUMMARY        	USA) connected with ultra-performance liquid chromatography I-class (UPLC)
CH:CHROMATOGRAPHY_SUMMARY        	system procured from Waters, USA was used for the metabolite analysis. The
CH:CHROMATOGRAPHY_SUMMARY        	chromatographic separation was performed by liquid chromatography using XBridge
CH:CHROMATOGRAPHY_SUMMARY        	Amide (150 × 2.1mm .D  3.5µm particle size, Waters, USA) analytical column
CH:CHROMATOGRAPHY_SUMMARY        	and a binary solvent system with a flow rate of 0.4 ml/min. A guard XBridge
CH:CHROMATOGRAPHY_SUMMARY        	Amide column (20 × 2.1mm .D  3.5µm particle size, Waters, USA) was connected
CH:CHROMATOGRAPHY_SUMMARY        	in front of analytical column. Mobile phase A was composed of 10 mM ammonium
CH:CHROMATOGRAPHY_SUMMARY        	acetate, 10mM ammonium hydroxide containing 5% acetonitrile in LC-MS grade
CH:CHROMATOGRAPHY_SUMMARY        	water; mobile phase B was 100% LC-MS grade acetonitrile.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Waters Acquity I-Class
CH:COLUMN_NAME                   	Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 6500+
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	QTRAP6500+ operated in polarity switching mode was used for targeted
MS:MS_COMMENTS                   	quantitation of amino acids through Multiple Reaction Monitoring (MRM) process.
MS:MS_COMMENTS                   	Electrospray ionization (ESI) parameters were optimized are as follows:
MS:MS_COMMENTS                   	electrospray ion voltage of -4200V and 5500V in negative and positive mode
MS:MS_COMMENTS                   	respectively, source temperature of 400°C, curtain gas of 35, and gas 1 and 2
MS:MS_COMMENTS                   	of 40 and 40 psi, respectively. Compound specific parameters were optimized for
MS:MS_COMMENTS                   	each compound using manual tuning. These parameters are declustering potential
MS:MS_COMMENTS                   	(DP) were 65V and -60V in positive and negative mode respectively, entrance
MS:MS_COMMENTS                   	potential (EP) was set at 10V and -10V in positive and negative mode
MS:MS_COMMENTS                   	respectively and collision cell exit potential (CXP) was maintained at 10V and
MS:MS_COMMENTS                   	-10V in positive and negative mode respectively. MRM data was analysed using
MS:MS_COMMENTS                   	Multiquant software.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	CPS
MS_METABOLITE_DATA_START
Samples	WT 3h_1	WT 3h_2	WT 3h_3	ccpA 3h_1	ccpA 3h_2	ccpA 3h_3	codY 3h_1	codY 3h_2	codY 3h_3	codY ccpA 3h_1	codY ccpA 3h_2	codY ccpA 3h_3	WT 6h_1	WT 6h_2	WT 6h_3	ccpA 6h_1	ccpA 6h_2	ccpA 6h_3	codY 6h_1	codY 6h_2	codY 6h_3	codY ccpA 6h_1	codY ccpA 6h_2	codY ccpA 6h_3
Factors	Genotype:WT	Genotype:WT	Genotype:WT	Genotype:ccpA	Genotype:ccpA	Genotype:ccpA	Genotype:ccpA	Genotype:ccpA	Genotype:ccpA	Genotype:codY ccpA	Genotype:codY ccpA	Genotype:codY ccpA	Genotype:WT	Genotype:WT	Genotype:WT	Genotype:ccpA	Genotype:ccpA	Genotype:ccpA	Genotype:ccpA	Genotype:ccpA	Genotype:ccpA	Genotype:codY ccpA	Genotype:codY ccpA	Genotype:codY ccpA
Methylisocitrate	1.30E+06	2.30E+06	2.30E+06	2.70E+06	2.80E+06	2.70E+06	2.40E+06	2.20E+06	9.50E+05	2.20E+06	1.30E+06	2.10E+06	2.00E+06	2.10E+06	2.20E+06	2.60E+06	2.30E+06	2.20E+06	2.10E+06	2.10E+06	1.90E+06	2.10E+06	2.00E+06	2.30E+06
Cyclic GMP	2.10E+04	2.70E+04	3.30E+04	2.80E+04	3.40E+04	2.50E+04	3.00E+04	2.50E+04	1.30E+04	3.00E+04	1.80E+04	3.10E+04	2.60E+04	2.70E+04	2.80E+04	2.80E+04	2.00E+04	2.10E+04	2.50E+04	2.80E+04	1.80E+04	2.00E+04	3.00E+04	3.00E+04
AICAR	1.70E+05	1.60E+05	7.30E+05	5.60E+04	6.70E+04	6.80E+04	1.10E+05	8.90E+04	1.10E+05	5.40E+04	6.50E+04	5.10E+04	1.80E+07	1.90E+07	1.40E+07	3.40E+07	1.90E+07	3.50E+07	5.20E+06	4.40E+06	5.10E+06	4.70E+06	5.30E+06	4.00E+06
5-phosphoribosylamine	2.50E+06	2.90E+06	2.30E+06	2.40E+06	2.40E+06	2.40E+06	2.40E+06	2.40E+06	2.30E+06	2.40E+06	2.20E+06	2.30E+06	2.40E+06	2.50E+06	2.30E+06	2.20E+06	2.40E+06	2.20E+06	2.10E+06	2.30E+06	2.20E+06	2.70E+06	2.70E+06	2.70E+06
Acetyl CoA	6.20E+06	3.10E+06	6.90E+06	9.70E+05	6.70E+06	7.50E+06	5.40E+06	1.00E+07	9.30E+06	3.00E+06	6.50E+06	1.20E+07	4.40E+05	6.10E+05	4.00E+05	2.40E+05	9.40E+05	3.60E+05	6.30E+05	1.30E+06	1.30E+06	8.50E+05	5.00E+05	5.50E+06
Acetyl Dephospho CoA	6.60E+05	9.50E+05	5.90E+05	2.40E+05	2.80E+05	2.00E+05	7.50E+05	1.60E+05	1.30E+05	3.40E+05	2.90E+05	2.00E+05	1.40E+05	1.40E+05	1.10E+05	6.10E+04	1.90E+05	6.20E+04	7.10E+04	5.40E+04	6.20E+04	1.80E+05	1.00E+05	3.30E+05
Adenine	5.60E+04	1.00E+05	1.50E+05	4.10E+04	1.00E+05	9.80E+04	6.70E+04	7.60E+04	7.30E+04	7.90E+04	1.20E+05	8.10E+04	1.70E+05	1.80E+05	3.80E+05	2.30E+04	7.20E+04	2.80E+05		3.60E+04	9.00E+04	1.00E+05	9.40E+04	4.20E+04
ADP	3.70E+07	6.40E+07	1.50E+07	5.10E+07	5.30E+07	5.20E+07	1.30E+08	1.10E+08	8.10E+07	5.90E+07	4.80E+07	5.20E+07	2.90E+07	2.90E+07	2.10E+07	3.00E+07	4.10E+07	2.80E+07	2.00E+07	1.70E+07	1.90E+07	4.70E+07	4.10E+07	3.70E+07
ADP ribose	5.90E+05	8.20E+05	7.00E+05	5.80E+05	7.00E+05	7.80E+05	1.00E+06	9.40E+05	8.20E+05	6.60E+05	7.40E+05	6.90E+05	6.70E+05	6.90E+05	9.70E+05	3.80E+05	5.00E+05	4.80E+05	7.10E+05	7.10E+05	7.60E+05	6.10E+05	4.20E+05	5.00E+05
L-Alanine	1.70E+07	2.20E+07	2.30E+07	2.10E+07	2.00E+07	1.90E+07	2.00E+07	1.80E+07	1.10E+07	2.10E+07	1.40E+07	1.80E+07	5.20E+06	2.80E+06	8.40E+06	3.30E+06	2.70E+06	2.20E+06	2.50E+07	2.60E+07	2.30E+07	1.70E+07	2.30E+07	2.10E+07
AMP	9.80E+05	1.80E+06	7.60E+05	1.40E+06	1.50E+06	1.30E+06	4.70E+06	4.20E+06	2.80E+06	1.90E+06	1.10E+06	1.50E+06	3.50E+05	4.80E+05	3.60E+05	2.40E+05	5.60E+05	3.90E+05	3.40E+05	4.70E+05	4.50E+05	8.60E+05	1.20E+06	1.00E+06
L-Arginine	8.00E+08	1.00E+09	1.00E+09	9.60E+08	9.70E+08	9.70E+08	9.80E+08	8.90E+08	6.00E+08	8.60E+08	6.30E+08	8.20E+08	8.30E+08	9.00E+08	9.30E+08	5.40E+08	5.70E+08	5.00E+08	8.00E+08	8.20E+08	7.60E+08	6.90E+08	6.40E+08	7.00E+08
L-Asparagine	2.60E+06	3.60E+06	2.70E+06	3.80E+06	3.40E+06	3.50E+06	3.70E+06	3.20E+06	2.20E+06	3.60E+06	2.40E+06	3.00E+06	9.70E+05	8.80E+05	9.10E+05	5.50E+05	8.50E+05	5.30E+05	9.70E+05	8.60E+05	7.90E+05	7.70E+05	9.60E+05	8.20E+05
L-Aspartic acid	1.90E+07	2.50E+07	3.00E+07	1.40E+07	1.50E+07	1.50E+07	4.30E+07	3.80E+07	3.40E+07	1.70E+07	1.60E+07	1.60E+07	3.50E+07	3.40E+07	2.40E+07	8.10E+06	1.20E+07	9.30E+06	3.40E+07	3.70E+07	3.60E+07	2.40E+07	2.00E+07	2.40E+07
ATP	8.80E+06	1.80E+07	4.30E+06	1.20E+07	1.50E+07	1.60E+07	2.60E+07	2.40E+07	1.80E+07	1.30E+07	1.30E+07	1.60E+07	1.00E+07	1.20E+07	7.30E+06	1.60E+07	1.90E+07	1.20E+07	6.00E+06	5.60E+06	6.10E+06	1.40E+07	1.10E+07	1.30E+07
Cyclic AMP	6.40E+06	1.10E+07	1.10E+07	9.40E+06	1.10E+07	1.00E+07	1.10E+07	9.10E+06	4.60E+06	9.30E+06	4.90E+06	8.10E+06	1.10E+07	1.20E+07	1.10E+07	9.10E+06	1.00E+07	7.50E+06	9.70E+06	1.10E+07	8.80E+06	7.70E+06	8.00E+06	8.60E+06
Citrulline	8.10E+05	1.00E+06	9.80E+05	2.80E+06	2.30E+06	2.80E+06	8.00E+05	5.90E+05	4.50E+05	8.30E+05	7.70E+05	9.00E+05	1.10E+07	9.30E+06	9.20E+06	6.50E+06	2.60E+07	7.10E+06	2.80E+06	3.00E+06	3.10E+06	5.60E+06	5.20E+06	6.60E+06
Cytidine monophosphate	3.50E+06	5.40E+06	6.40E+06	6.10E+06	9.30E+06	9.00E+06	6.80E+06	7.90E+06	4.70E+06	5.50E+06	4.20E+06	7.10E+06	1.80E+06	1.80E+06	1.80E+06	3.30E+06	2.90E+06	3.60E+06	2.50E+06	2.20E+06	1.90E+06	3.10E+06	3.90E+06	2.90E+06
Cytidine triphosphate	8.40E+05	1.50E+06	6.50E+05	1.70E+06	1.80E+06	1.80E+06	2.60E+06	2.00E+06	1.60E+06	1.30E+06	1.40E+06	1.70E+06	1.30E+06	1.40E+06	8.10E+05	4.20E+06	2.00E+06	3.40E+06	1.30E+06	1.10E+06	1.10E+06	1.50E+06	9.60E+05	1.10E+06
L-Cystine	5.30E+04	1.20E+05	1.50E+05	4.00E+04	1.00E+05	8.80E+04	1.40E+05	1.80E+05	7.00E+04	7.50E+04	3.10E+04	1.00E+05	2.60E+05	2.10E+05	2.30E+05		6.00E+04	5.80E+04	1.60E+05	7.80E+04	8.50E+04	1.80E+05	2.30E+05	1.30E+05
L-Cysteine	8.20E+04	8.10E+04	7.20E+04	3.70E+04	2.80E+04	2.10E+04	1.50E+05	1.60E+05	1.30E+05	6.40E+04	4.30E+04	6.90E+04							2.00E+04	1.30E+04		1.90E+04	1.60E+04	1.00E+04
Cytidine	1.50E+06	2.40E+06	3.20E+06	5.30E+06	1.10E+06	1.20E+06	3.80E+06	1.70E+06	1.20E+06	6.80E+06	1.80E+06	1.30E+06	1.20E+06	1.00E+06	7.50E+05	1.20E+06	7.30E+05	8.60E+05	1.30E+06	7.70E+05	6.00E+05	1.70E+06	1.40E+07	8.70E+05
D-Alanyl-D-alanine	1.30E+06	1.60E+06	1.50E+06	8.90E+05	9.90E+05	1.00E+06	1.50E+06	1.40E+06	1.20E+06	9.30E+05	9.60E+05	9.40E+05	1.10E+07	8.90E+06	1.20E+07	2.00E+06	1.40E+06	2.20E+06	1.50E+07	1.40E+07	1.20E+07	4.70E+06	2.80E+06	3.40E+06
dATP	4.40E+05	7.80E+05	4.90E+05	7.50E+05	6.20E+05	5.30E+05	8.50E+05	6.10E+05	4.60E+05	5.80E+05	6.60E+05	5.10E+05	2.50E+05	4.40E+05	2.20E+05	2.40E+05	3.20E+05	1.50E+05	2.10E+05	1.80E+05	2.00E+05	3.00E+05	2.90E+05	2.20E+05
dCMP	2.40E+04	3.60E+04	4.60E+04	3.40E+04	5.20E+04	5.20E+04	7.70E+04	8.90E+04	8.80E+04	3.90E+04	3.60E+04	7.40E+04	3.20E+04		2.60E+04		5.90E+04	3.00E+04	3.00E+04	3.90E+04	2.20E+04	2.90E+04		1.10E+05
Fructose 6-phosphate	8.10E+05	1.60E+06	6.20E+05	2.30E+06	2.70E+06	2.60E+06	2.80E+06	1.30E+06	7.10E+05	2.80E+06	1.90E+06	2.20E+06	6.30E+04	2.20E+04		1.80E+06	1.20E+06	1.50E+06	4.40E+04			7.80E+04	4.90E+05	3.50E+05
D-Glucosamine 6-phosphate	3.30E+05	6.10E+05	4.00E+05	8.90E+05	1.60E+06	1.50E+06	6.80E+05	4.40E+05	5.10E+05	1.10E+06	1.20E+06	1.90E+06	7.50E+05	7.80E+05	5.60E+05	1.40E+06	9.20E+05	2.00E+06	7.60E+05	6.90E+05	7.40E+05	3.70E+05	5.30E+05	3.60E+05
D-Glucose 6-phosphate	7.70E+06	1.40E+07	6.50E+06	2.40E+07	2.50E+07	2.60E+07	2.80E+07	1.30E+07	8.10E+06	2.50E+07	2.10E+07	2.20E+07	1.20E+06	1.40E+06	9.30E+05	1.60E+07	1.20E+07	1.50E+07	1.00E+06	9.00E+05	8.00E+05	2.50E+06	5.20E+06	3.60E+06
dGMP	8.10E+05	1.50E+06	6.40E+05	1.20E+06	1.30E+06	1.10E+06	5.00E+06	3.70E+06	2.50E+06	1.60E+06	1.10E+06	1.40E+06	3.30E+05	3.90E+05	3.10E+05	2.70E+05	5.80E+05	3.30E+05	3.30E+05	4.50E+05	4.30E+05	8.00E+05	1.00E+06	9.00E+05
dGTP	8.30E+06	1.70E+07	3.60E+06	1.10E+07	1.40E+07	1.40E+07	2.30E+07	2.20E+07	1.80E+07	1.20E+07	1.20E+07	1.50E+07	9.40E+06	1.00E+07	7.00E+06	1.40E+07	1.80E+07	1.00E+07	5.60E+06	4.90E+06	5.20E+06	1.40E+07	8.70E+06	1.20E+07
D-Ribulose 5-phosphate	2.50E+06	3.20E+06	2.70E+06	6.30E+06	6.10E+06	4.30E+06	5.60E+06	1.80E+06	1.40E+06	5.00E+06	3.80E+06	3.80E+06	9.50E+05	1.30E+06	4.10E+05	1.40E+07	5.70E+06	6.00E+06	6.80E+05	4.30E+05	4.20E+05	8.60E+05	3.00E+06	1.40E+06
dTDP-D-glucose	7.60E+05	1.20E+06	8.50E+05	8.80E+05	9.60E+05	9.20E+05	1.30E+06	1.10E+06	1.00E+06	7.90E+05	7.60E+05	7.90E+05	6.10E+05	6.80E+05	7.00E+05	7.90E+05	7.10E+05	7.00E+05	3.90E+05	3.50E+05	2.80E+05	4.10E+05	4.20E+05	4.50E+05
dTMP	5.60E+04	6.20E+04	4.30E+04	4.70E+04	5.60E+04	5.50E+04	5.40E+04	9.90E+04	1.20E+05	5.00E+04	4.50E+04	1.10E+05	5.60E+04	7.90E+04	3.70E+04	3.00E+05	2.30E+05	3.20E+05	6.00E+04	6.70E+04	4.30E+04	1.30E+05	1.70E+05	1.90E+05
dTTP	1.40E+06	2.40E+06	1.10E+06	1.60E+06	1.50E+06	1.50E+06	3.40E+06	2.30E+06	1.80E+06	1.20E+06	1.20E+06	1.20E+06	1.70E+06	2.20E+06	2.30E+06	1.40E+06	9.20E+05	1.20E+06	4.50E+05	4.50E+05	4.00E+05	6.50E+05	5.00E+05	5.20E+05
FAD	2.70E+04	4.50E+04	3.10E+04	2.10E+04	2.50E+04	4.00E+04	4.90E+04	2.90E+04	1.90E+04	2.70E+04	1.90E+04	2.60E+04	4.00E+04	2.20E+04	2.50E+04	2.20E+04	2.40E+04	1.80E+04	3.00E+04	2.80E+04	1.80E+04	2.60E+04	1.30E+04	2.50E+04
CoA	4.70E+06	4.90E+06	4.30E+06	5.20E+06	8.30E+06	8.00E+06	7.00E+06	4.40E+06	3.50E+06	5.50E+06	6.00E+06	7.30E+06	3.00E+06	2.60E+06	3.90E+06	3.30E+06	5.90E+06	4.60E+06	4.50E+06	3.30E+06	2.70E+06	4.60E+06	3.80E+06	2.60E+06
Fumarate	1.60E+06	1.60E+06	1.80E+06	2.70E+06	2.60E+06	2.70E+06	2.10E+06	2.00E+06	1.60E+06	2.30E+06	2.00E+06	2.10E+06	3.30E+06	3.70E+06	2.70E+06	8.70E+05	1.60E+06	1.20E+06	3.50E+06	3.30E+06	3.20E+06	2.90E+06	3.00E+06	2.80E+06
D-Glucose	1.20E+05	1.40E+05	1.40E+05	1.20E+05	1.50E+05	1.50E+05	1.30E+05	1.80E+05	1.50E+05	1.40E+05	1.10E+05	1.30E+05	1.20E+05	1.50E+05	1.10E+05	1.30E+05	1.20E+05	1.10E+05	1.40E+05	1.30E+05	1.10E+05	1.20E+05	1.10E+05	1.20E+05
Gluconate	7.10E+06	7.10E+06	6.80E+06	7.20E+06	7.10E+06	6.90E+06	6.70E+06	6.40E+06	6.40E+06	7.00E+06	7.00E+06	6.50E+06	6.90E+06	6.60E+06	6.80E+06	6.50E+06	6.50E+06	6.10E+06	6.70E+06	6.60E+06	6.50E+06	6.80E+06	6.50E+06	6.30E+06
L-Glutamic acid	2.90E+08	3.40E+08	3.50E+08	2.40E+08	2.70E+08	2.60E+08	4.70E+08	3.90E+08	3.10E+08	2.40E+08	2.20E+08	2.50E+08	2.90E+08	2.90E+08	2.60E+08	3.00E+08	3.10E+08	2.70E+08	1.80E+08	1.70E+08	1.70E+08	2.00E+08	1.90E+08	1.90E+08
L-Glutamine	8.10E+06	1.00E+07	4.50E+06	1.10E+07	1.10E+07	1.10E+07	1.60E+07	1.00E+07	1.40E+07	1.10E+07	9.80E+06	1.00E+07	3.60E+06	3.70E+06	4.70E+06	4.40E+06	6.90E+06	4.30E+06	2.80E+06	3.00E+06	1.70E+06	3.40E+06	3.90E+06	1.70E+06
D-Glyceraldehyde 3-phosphate	9.20E+06	1.80E+07	5.10E+06	1.50E+07	6.30E+06	5.70E+06	1.10E+07	3.50E+06	2.10E+06	7.50E+06	4.90E+06	3.60E+06	1.10E+06	1.00E+06	7.40E+05	1.70E+07	5.50E+06	5.80E+06	4.10E+05	4.50E+05	3.70E+05	2.00E+06	3.50E+06	2.10E+06
Glycerol 3-phosphate	3.10E+05	7.40E+05	2.70E+05	4.80E+05	3.50E+05	2.70E+05	6.50E+05	2.30E+05	1.40E+05	6.50E+05	3.70E+05	3.40E+05	3.70E+05	3.90E+05	3.20E+05	1.90E+05	1.30E+05	1.50E+05	2.80E+05	3.10E+05	2.70E+05	1.00E+05	2.40E+05	7.50E+04
Glycine	3.50E+05	5.10E+05	5.20E+05	8.90E+05	8.40E+05	8.80E+05	5.60E+05	4.90E+05	3.80E+05	5.90E+05	3.80E+05	5.60E+05	5.60E+04	3.60E+04	1.20E+05	3.80E+04		1.90E+04	1.10E+05	1.10E+05	7.70E+04	7.10E+04	5.30E+04	4.30E+04
GMP	1.60E+05	2.20E+05	2.80E+05	5.10E+05	4.60E+05	3.70E+05	2.30E+05	1.70E+05	1.20E+05	2.40E+05	1.90E+05	3.00E+05	3.40E+04	7.00E+04	3.10E+04	1.10E+05	1.20E+05	1.20E+05	7.80E+04	1.10E+05	1.10E+05	1.30E+05	1.70E+05	1.50E+05
Guanosine	1.00E+05	1.00E+05	5.30E+05	3.00E+05	1.10E+05	9.50E+04	1.30E+05	8.60E+04	6.90E+04	2.00E+05	1.10E+05	8.90E+04	2.00E+05	2.30E+05	1.40E+05	9.90E+04	8.60E+04	6.20E+04	6.20E+04	3.10E+04	3.80E+04	1.20E+05	1.10E+06	5.90E+04
D-Galactose	1.90E+07	2.90E+07	2.30E+07	3.20E+07	3.50E+07	2.90E+07	2.30E+07	2.20E+07	1.30E+07	2.70E+07	1.60E+07	2.40E+07	1.80E+04	1.40E+04	2.10E+04	1.60E+07	1.20E+07	1.40E+07	2.10E+04	2.40E+04	6.30E+03	8.90E+03	1.10E+06	1.30E+06
IMP	9.00E+05	1.60E+06	1.90E+06	1.60E+06	2.00E+06	2.10E+06	4.70E+06	4.60E+06	3.10E+06	1.80E+06	1.20E+06	2.00E+06	4.30E+05	6.10E+05	4.70E+05	1.20E+06	7.10E+05	6.60E+05	5.60E+05	6.90E+05	6.60E+05	7.60E+05	1.20E+06	1.20E+06
Inosine	8.90E+04	3.20E+04	4.60E+06	2.50E+05	2.10E+05	1.70E+05	1.30E+05	1.00E+05	1.10E+05	2.10E+05	1.80E+05	2.30E+05	1.10E+06	1.10E+06	3.30E+05	7.20E+06	2.30E+05	1.20E+06	6.90E+04	7.30E+04	9.70E+04	2.30E+05	4.70E+05	2.90E+05
ITP	3.10E+05	6.90E+05	1.60E+05	4.20E+05	6.60E+05	5.80E+05	1.10E+06	1.00E+06	8.20E+05	5.40E+05	4.90E+05	6.50E+05	4.10E+05	5.20E+05	2.90E+05	5.80E+05	8.70E+05	4.90E+05	2.90E+05	2.20E+05	2.70E+05	6.30E+05	4.10E+05	5.80E+05
L-Leucine	1.40E+09	1.90E+09	1.80E+09	1.70E+09	1.80E+09	1.70E+09	2.00E+09	1.90E+09	1.30E+09	1.70E+09	1.20E+09	1.60E+09	1.40E+09	1.40E+09	1.50E+09	1.40E+09	1.50E+09	1.20E+09	1.40E+09	1.40E+09	1.20E+09	1.50E+09	1.50E+09	1.60E+09
L-Lysine	3.70E+08	5.80E+08	5.60E+08	5.50E+08	5.90E+08	5.90E+08	5.70E+08	4.90E+08	2.60E+08	5.40E+08	2.90E+08	4.50E+08	5.70E+08	6.10E+08	5.30E+08	6.70E+08	5.70E+08	5.20E+08	5.20E+08	5.40E+08	4.90E+08	5.00E+08	4.70E+08	4.90E+08
L-Malic acid	9.70E+06	1.10E+07	1.10E+07	2.00E+07	2.10E+07	2.50E+07	1.10E+07	1.00E+07	8.10E+06	1.90E+07	1.60E+07	1.90E+07	2.80E+07	3.90E+07	2.30E+07	3.70E+06	1.10E+07	3.90E+06	2.30E+07	1.90E+07	2.10E+07	2.00E+07	1.60E+07	1.90E+07
L-Methionine	6.60E+07	9.70E+07	8.70E+07	9.40E+07	8.90E+07	8.60E+07	1.00E+08	8.70E+07	5.00E+07	8.90E+07	4.90E+07	6.70E+07	8.50E+07	8.60E+07	8.20E+07	9.30E+07	8.70E+07	7.60E+07	8.70E+07	8.40E+07	7.40E+07	9.30E+07	9.40E+07	9.00E+07
NADP	9.40E+05	1.40E+06	9.70E+05	2.00E+06	2.30E+06	2.00E+06	2.60E+06	1.90E+06	1.40E+06	2.00E+06	1.70E+06	1.90E+06	1.10E+06	1.10E+06	1.10E+06	9.80E+05	1.30E+06	1.10E+06	1.30E+06	1.20E+06	1.10E+06	1.30E+06	1.60E+06	1.10E+06
NAD	2.90E+06	5.10E+06	3.10E+06	2.50E+06	2.80E+06	4.30E+06	5.70E+06	4.10E+06	4.10E+06	3.60E+06	3.00E+06	3.00E+06	3.30E+06	3.40E+06	3.50E+06	1.50E+06	2.80E+06	1.10E+06	4.60E+06	3.00E+06	2.50E+06	2.60E+06	2.10E+06	2.50E+06
NADH	2.60E+04	5.70E+04	9.00E+03	2.00E+04	2.90E+04	2.30E+04	3.60E+04	1.30E+04	9.90E+03	1.20E+04	1.10E+04	2.60E+04	1.90E+03	2.60E+03	1.90E+03	3.70E+04	4.90E+04	1.40E+04	1.90E+03		5.30E+03	1.90E+04	1.10E+04	8.50E+04
Nicotinamide riboside	4.30E+05	7.60E+05	1.60E+06	1.50E+06	3.30E+05	3.80E+05	6.70E+05	2.30E+05	1.80E+05	1.80E+06	5.00E+05	2.70E+05	3.40E+05	2.60E+05	1.70E+05	4.90E+05	4.10E+05	2.80E+05	5.10E+05	3.00E+05	2.40E+05	9.90E+05	8.60E+06	5.80E+05
Ornithine	4.50E+06	6.40E+06	6.70E+06	4.30E+07	4.40E+07	4.10E+07	7.20E+06	6.30E+06	3.90E+06	5.00E+07	4.10E+07	5.40E+07	6.90E+07	8.40E+07	6.00E+07	5.40E+08	2.80E+08	5.20E+08	2.80E+07	3.70E+07	5.70E+07	1.50E+08	1.70E+08	1.50E+08
Oxaloacetate	1.60E+06	1.80E+06	1.60E+06	1.50E+06	1.70E+06	1.70E+06	1.60E+06	1.60E+06	1.30E+06	1.40E+06	1.30E+06	1.50E+06	1.30E+05	8.50E+04	9.70E+05	1.30E+05	1.20E+05	8.50E+04	1.30E+06	1.10E+06	1.00E+06	8.30E+05	5.20E+05	7.70E+05
Oxidized glutathione	1.50E+04	3.30E+04	3.00E+04	2.30E+04	2.00E+04	2.80E+04	2.10E+05	1.40E+05	7.70E+04	1.70E+05	8.60E+04	9.50E+04	3.20E+04	2.50E+04	3.50E+04	2.80E+04	3.60E+04	1.50E+04	7.80E+03	2.40E+04	1.00E+04		1.20E+04	9.10E+03
L-Phenylalanine	1.10E+09	1.40E+09	1.40E+09	1.40E+09	1.40E+09	1.40E+09	1.40E+09	1.30E+09	8.10E+08	1.30E+09	8.40E+08	1.20E+09	1.20E+09	1.20E+09	1.20E+09	1.20E+09	1.30E+09	1.10E+09	1.20E+09	1.10E+09	1.00E+09	1.20E+09	1.10E+09	1.20E+09
Phosphoenolpyruvate	4.30E+06	1.10E+07	7.90E+06	1.40E+07	1.30E+07	1.80E+07	2.60E+07	7.20E+06	2.50E+06	1.00E+07	6.70E+06	1.20E+07	1.00E+07	1.40E+07	6.40E+06	1.90E+07	1.10E+07	1.30E+07	1.00E+07	5.40E+06	6.50E+06	1.10E+07	1.70E+07	1.10E+07
Citrate	8.40E+07	2.40E+08	2.30E+08	3.00E+08	3.50E+08	3.30E+08	3.40E+08	2.50E+08	6.40E+07	2.50E+08	1.20E+08	2.40E+08	1.90E+08	2.30E+08	2.40E+08	3.60E+08	3.10E+08	2.70E+08	8.20E+07	5.70E+07	4.40E+07	1.30E+08	1.50E+08	1.70E+08
L-Proline	1.70E+08	2.20E+08	3.50E+08	2.10E+08	2.30E+08	2.30E+08	4.10E+08	4.50E+08	3.70E+08	1.80E+08	1.50E+08	2.50E+08	1.30E+09	1.30E+09	1.20E+09	1.10E+09	1.10E+09	1.10E+09	7.70E+08	9.30E+08	1.00E+09	9.80E+08	9.20E+08	1.00E+09
Pyridoxal phosphate	3.40E+05	4.00E+05	5.60E+05	5.70E+05	8.00E+05	8.70E+05	7.70E+05	8.80E+05	5.90E+05	4.60E+05	2.90E+05	6.10E+05	7.60E+05	8.70E+05	1.20E+06	6.20E+05	9.20E+05	8.60E+05	5.50E+05	8.10E+05	7.00E+05	8.90E+05	9.20E+05	1.20E+06
Pyruvate	1.20E+05	1.60E+05	1.30E+05	9.70E+04	1.40E+05	8.90E+04	3.60E+05	1.90E+05	1.30E+05	1.10E+05	1.10E+05	1.00E+05	3.80E+04	4.00E+04	4.60E+04	7.10E+04	8.90E+04	9.40E+04	3.10E+04	4.90E+04	6.00E+04	4.10E+04	8.70E+04	7.80E+04
D-Sedoheptulose 7-phosphate	1.40E+06	2.00E+06	1.60E+06	4.60E+06	5.00E+06	4.90E+06	2.80E+06	1.90E+06	1.50E+06	4.20E+06	5.40E+06	5.00E+06	2.50E+05	3.40E+05	3.40E+05	3.60E+06	4.40E+06	3.50E+06	2.20E+05	1.80E+05	1.80E+05	4.90E+05	4.30E+06	4.40E+06
L-Serine	5.30E+06	7.30E+06	4.70E+06	4.00E+06	2.40E+06	2.10E+06	1.30E+07	1.20E+07	9.60E+06	7.70E+06	4.80E+06	6.30E+06	5.80E+05	5.60E+05	4.00E+05	1.50E+05	1.20E+05	1.10E+05	1.30E+06	8.20E+05	6.90E+05	1.20E+06	9.20E+05	7.70E+05
L-Theanine	1.30E+06	4.60E+06	2.80E+06	1.80E+06	3.70E+06	1.70E+06	2.90E+06	1.70E+06	1.10E+06	3.70E+06	6.80E+05	1.30E+06	1.20E+06	1.80E+06	1.10E+06	1.40E+06	1.30E+06	2.00E+06	1.70E+06	2.60E+06	1.60E+06	7.10E+05	5.80E+05	1.20E+06
Thiamine	1.40E+07	1.60E+07	1.40E+07	3.10E+06	3.20E+06	3.20E+06	2.80E+07	2.20E+07	2.10E+07	1.10E+07	1.10E+07	1.10E+07	2.30E+07	2.30E+07	2.20E+07	9.30E+06	1.10E+07	8.40E+06	4.00E+07	3.70E+07	3.70E+07	2.50E+07	2.20E+07	2.30E+07
Thiamine pyrophosphate	7.30E+04	1.30E+05	7.40E+04	9.60E+04	6.10E+04	7.90E+04	9.00E+04	6.70E+04		1.10E+05	7.40E+04	5.20E+04				4.60E+04	4.40E+04	3.90E+04				3.20E+04	2.60E+04	2.60E+04
L-Threonine	5.50E+08	7.60E+08	7.40E+08	7.40E+08	7.40E+08	7.40E+08	7.40E+08	6.50E+08	3.90E+08	6.80E+08	4.00E+08	5.70E+08	6.50E+08	6.40E+08	6.50E+08	6.40E+08	6.60E+08	5.60E+08	6.10E+08	6.00E+08	5.30E+08	6.10E+08	5.80E+08	6.20E+08
Thymine	2.50E+04	1.50E+04	1.10E+04	2.70E+04	1.90E+04	1.40E+04	3.40E+04	3.00E+04	2.30E+04	3.20E+04	2.20E+04	1.50E+04			1.30E+04	1.40E+04	2.00E+04		1.40E+04				1.30E+04	
L-Tryptophan	1.70E+08	2.60E+08	2.30E+08	2.60E+08	2.50E+08	2.50E+08	2.50E+08	2.00E+08	1.10E+08	2.40E+08	1.20E+08	1.80E+08	2.20E+08	2.20E+08	2.10E+08	2.30E+08	2.20E+08	1.80E+08	2.00E+08	1.80E+08	1.60E+08	2.00E+08	1.90E+08	2.00E+08
L-Tyrosine	4.40E+07	6.90E+07	6.00E+07	6.70E+07	6.60E+07	6.70E+07	6.90E+07	5.60E+07	2.90E+07	5.80E+07	3.40E+07	4.80E+07	4.90E+07	4.80E+07	4.60E+07	6.40E+07	5.90E+07	5.10E+07	5.30E+07	5.10E+07	4.60E+07	5.70E+07	6.10E+07	5.70E+07
Uridine 5'-diphosphate	1.80E+06	3.10E+06	1.90E+06	2.80E+06	2.50E+06	2.20E+06	5.90E+06	4.20E+06	2.80E+06	2.20E+06	2.00E+06	1.90E+06	1.40E+06	1.60E+06	9.60E+05	2.10E+06	1.30E+06	1.50E+06	8.40E+05	7.50E+05	8.20E+05	2.20E+06	1.80E+06	1.40E+06
Uridine diphosphate glucose	6.80E+05	1.20E+06	8.40E+05	1.30E+06	1.20E+06	1.20E+06	1.50E+06	9.40E+05	5.90E+05	9.90E+05	6.90E+05	8.40E+05	2.10E+05	3.30E+05	1.40E+05	7.90E+05	7.50E+05	6.90E+05	3.90E+04	1.60E+04	3.50E+04	2.90E+05	5.10E+05	5.00E+05
Uridine 5'-monophosphate	7.50E+05	1.00E+06	8.90E+05	1.00E+06	1.40E+06	1.40E+06	1.90E+06	2.70E+06	1.90E+06	1.00E+06	6.90E+05	1.30E+06	5.20E+05	5.30E+05	4.70E+05	5.40E+05	7.00E+05	9.10E+05	5.70E+05	6.00E+05	6.40E+05	8.10E+05	8.70E+05	6.40E+05
Uracil	7.50E+05	8.30E+05	1.40E+06	7.70E+05	1.60E+06	1.50E+06	6.60E+05	1.30E+06	9.80E+05	8.30E+05	5.20E+05	1.30E+06	8.90E+05	9.60E+05	1.50E+06	7.90E+05	1.40E+06	1.20E+06	8.10E+05	1.20E+06	1.20E+06	8.00E+05	7.70E+05	1.40E+06
Uridine	2.00E+06	2.80E+06	1.90E+06	1.80E+06	1.80E+06	9.90E+05	5.70E+06	3.50E+06	2.50E+06	1.60E+06	1.20E+06	1.30E+06	1.80E+06	7.30E+05	1.10E+06	1.10E+06	1.50E+06	1.20E+06	7.20E+05	3.70E+05	4.90E+05	1.60E+06	5.50E+06	1.10E+06
Uridine triphosphate	3.20E+06	5.90E+06	2.60E+06	4.00E+06	3.90E+06	3.70E+06	7.10E+06	5.90E+06	4.30E+06	3.10E+06	3.00E+06	3.50E+06	2.90E+06	3.30E+06	2.10E+06	6.20E+06	3.20E+06	3.80E+06	1.70E+06	1.30E+06	1.60E+06	4.40E+06	2.90E+06	2.70E+06
L-Valine	1.90E+08	2.70E+08	2.60E+08	2.60E+08	2.40E+08	2.50E+08	3.10E+08	2.80E+08	1.80E+08	2.40E+08	1.60E+08	2.20E+08	2.30E+08	2.40E+08	2.40E+08	2.50E+08	2.60E+08	2.20E+08	2.70E+08	2.70E+08	2.40E+08	2.70E+08	2.80E+08	2.90E+08
Xanthine	1.70E+04	1.70E+04		1.40E+04		1.70E+04	1.40E+04	1.50E+04		7.50E+03	5.00E+04		2.20E+04		1.40E+04							9.40E+03	1.70E+04	
2-Oxoglutarate	1.00E+07	9.50E+06	6.40E+06	7.80E+06	6.80E+06	7.10E+06	5.90E+06	6.30E+06	8.90E+06	7.40E+06	9.20E+06	7.90E+06	8.00E+06	8.40E+06	8.80E+06	5.30E+06	8.10E+06	6.50E+06	9.40E+06	9.80E+06	8.30E+06	8.60E+06	8.20E+06	9.00E+06
6-Phospho-D-gluconate		9.20E+04		1.80E+06	5.50E+06	6.10E+06	9.70E+05	3.50E+05	2.10E+05	7.20E+06	5.80E+06	8.90E+06	8.90E+04	9.40E+04	9.40E+04	7.80E+06	7.60E+06	1.30E+07	7.80E+05	2.70E+05	1.90E+05	3.70E+05	8.70E+05	5.30E+05
Acetyl phosphate	5.30E+04	7.90E+04	7.10E+04	1.10E+05	9.50E+04	8.80E+04	1.10E+05	4.70E+04	4.00E+04	1.10E+05	1.10E+05	1.10E+05	2.20E+04	3.40E+04	2.10E+04	1.20E+05	9.50E+04	1.10E+05	2.60E+04	4.40E+04	3.40E+04	4.40E+04	6.90E+04	3.70E+04
Adenosine	2.80E+05	4.20E+05	3.00E+05	5.40E+05	1.20E+05	7.80E+04	1.10E+06	3.10E+05	2.40E+05	7.20E+05	2.20E+05	1.10E+05	2.50E+05	1.40E+05	1.80E+05	7.80E+04	1.80E+05	1.10E+05	6.70E+04	2.30E+04	1.80E+04	2.40E+05	2.70E+06	9.90E+04
ADP-glucose	3.90E+05	4.90E+05	1.70E+05	5.00E+05	7.10E+05	6.40E+05	1.30E+06	1.20E+06	8.10E+05	6.70E+05	5.80E+05	6.80E+05	4.40E+05	3.80E+05	2.70E+05	5.50E+05	8.30E+05	5.30E+05	3.30E+05	3.00E+05	2.40E+05	6.60E+05	4.00E+05	4.80E+05
alpha-D-Ribose 5-phosphate	2.40E+06	3.00E+06	2.00E+06	4.90E+06	5.10E+06	4.40E+06	4.90E+06	1.50E+06	1.20E+06	4.40E+06	3.00E+06	3.10E+06	8.30E+05	1.20E+06	4.00E+05	1.00E+07	5.40E+06	5.40E+06	7.30E+05	4.00E+05	3.50E+05	6.60E+05	2.70E+06	1.30E+06
Biotin	5.40E+04	8.90E+04	7.00E+04	6.70E+04	5.20E+04	6.60E+04	8.10E+04	3.20E+04	3.30E+04	7.10E+04	3.30E+04	7.00E+04	3.20E+04	3.20E+04	3.80E+04	3.90E+04	5.20E+04	2.90E+04	5.20E+04	3.70E+04	4.10E+04	4.20E+04	2.90E+04	5.30E+04
cis-Aconitate	6.50E+05	7.40E+05	5.90E+05	7.40E+05	5.90E+05	5.20E+05	1.40E+06	8.60E+05	6.20E+05	9.20E+05	6.20E+05	7.30E+05	2.80E+06	2.80E+06	3.40E+06	2.00E+06	2.40E+06	1.70E+06	2.80E+06	2.50E+06	2.10E+06	2.20E+06	1.70E+06	2.30E+06
CoASH	4.20E+05	3.60E+05	3.40E+05	4.60E+05	7.70E+05	7.30E+05	6.10E+05	3.90E+05	2.50E+05	4.50E+05	5.50E+05	6.10E+05	1.80E+05	1.90E+05	2.70E+05	2.70E+05	4.40E+05	3.90E+05	3.40E+05	1.70E+05	1.40E+05	3.60E+05	2.70E+05	9.90E+04
dADP	2.00E+05	3.60E+05	2.40E+05	3.50E+05	2.80E+05	2.00E+05	4.70E+05	3.30E+05	2.50E+05	2.70E+05	2.30E+05	1.80E+05	9.50E+04	1.30E+05	7.20E+04	7.40E+04	4.70E+04	5.30E+04	6.70E+04	6.10E+04	4.60E+04	9.50E+04	1.00E+05	8.60E+04
D-Arabinose 5-phosphate	2.20E+06	3.10E+06	2.40E+06	5.20E+06	5.00E+06	4.10E+06	4.70E+06	1.60E+06	1.30E+06	4.50E+06	3.20E+06	3.50E+06	9.00E+05	1.10E+06	4.00E+05	1.20E+07	5.20E+06	5.20E+06	6.40E+05	4.40E+05	4.00E+05	7.80E+05	2.60E+06	1.30E+06
dCDP	8.40E+04	1.20E+05	1.20E+05	1.70E+05	2.10E+05	1.90E+05	3.00E+05	3.80E+05	1.90E+05	1.80E+05	1.50E+05	1.60E+05	2.10E+04	1.20E+04	1.90E+04	2.30E+04	2.90E+04	5.00E+04	2.40E+04	1.60E+04	1.50E+04	6.50E+04	7.40E+04	5.90E+04
D-Glucose 1-phosphate	6.20E+06	8.30E+06	7.70E+06	7.80E+06	8.10E+06	8.50E+06	8.30E+06	8.60E+06	5.20E+06	7.60E+06	4.80E+06	7.30E+06	1.90E+06	1.20E+06	4.80E+06	3.90E+06	3.30E+06	3.60E+06	1.10E+07	1.00E+07	7.90E+06	6.60E+06	5.00E+06	7.40E+06
Dihydroxyacetone phosphate	7.10E+06	1.40E+07	2.20E+06	1.30E+07	4.80E+06	3.50E+06	7.90E+06	1.70E+06	9.90E+05	5.60E+06	4.10E+06	2.00E+06	8.80E+05	7.00E+05	3.10E+05	1.60E+07	3.40E+06	5.40E+06	2.30E+05	2.40E+05	1.70E+05	4.90E+05	2.20E+06	9.00E+05
dIMP	3.00E+05	5.50E+05	3.90E+05	5.30E+05	4.70E+05	4.40E+05	6.40E+05	3.80E+05	1.80E+05	4.80E+05	2.80E+05	3.80E+05	3.10E+05	3.30E+05	3.30E+05	5.00E+05	2.70E+05	4.80E+05	3.40E+05	3.10E+05	2.80E+05	2.80E+05	3.20E+05	3.20E+05
Folate	2.00E+03	6.10E+03	5.90E+03	5.60E+03	7.40E+02	8.20E+03	3.50E+03	3.00E+03	2.30E+03	8.80E+03	3.70E+03	6.60E+03	7.70E+02	6.30E+03	5.90E+03	1.30E+03	1.40E+03	4.80E+03	7.60E+03	2.30E+03	3.30E+03	2.00E+03		8.30E+03
GDP	5.70E+05	5.00E+05	1.20E+06	4.30E+05	3.30E+05	3.00E+05	1.10E+06	6.60E+05	5.80E+05	5.00E+05	7.40E+05	3.50E+05	7.50E+05	4.30E+05	3.30E+05	5.30E+05	2.30E+05	3.40E+05	4.70E+05	2.60E+05	4.70E+05	5.00E+05	4.60E+05	4.30E+05
L-Histidine	3.20E+08	4.50E+08	4.10E+08	4.40E+08	4.30E+08	4.20E+08	4.60E+08	4.10E+08	2.50E+08	4.20E+08	2.70E+08	3.60E+08	3.60E+08	3.60E+08	3.60E+08	1.60E+08	2.60E+08	1.30E+08	3.70E+08	3.40E+08	2.80E+08	2.90E+08	3.00E+08	3.30E+08
Hypoxanthine	9.90E+03			1.00E+06	7.20E+05	4.50E+05	1.20E+05	8.70E+04	3.40E+04	1.60E+06	9.40E+05	8.40E+05	6.80E+04	5.00E+04	2.80E+04		3.00E+04	1.60E+04	2.80E+04	3.30E+04	3.70E+04	3.30E+04	4.20E+04	1.30E+04
Lactate	2.50E+05	3.80E+05	3.30E+05	3.00E+05	2.50E+05	3.00E+05	3.10E+05	3.10E+05	2.30E+05	3.00E+05	2.50E+05	3.00E+05	3.10E+05	3.10E+05	2.80E+05	2.90E+05	2.60E+05	2.60E+05	2.60E+05	2.90E+05	1.20E+05	2.70E+05	2.60E+05	2.50E+05
Malonyl-CoA	3.60E+04		1.60E+04		2.20E+04	3.00E+04	1.30E+04	4.20E+04	4.20E+04	1.70E+04	3.30E+04	4.40E+04	2.10E+04	1.40E+04					3.70E+04	1.80E+04	2.10E+04	1.00E+04	1.00E+04	3.20E+04
Methylmalonate	2.20E+06	3.40E+06	3.80E+06	4.60E+06	5.20E+06	5.00E+06	5.70E+06	5.50E+06	3.40E+06	7.80E+06	5.00E+06	7.10E+06	2.60E+07	2.50E+07	2.50E+07	3.60E+06	6.60E+06	4.10E+06	3.60E+07	3.70E+07	3.00E+07	1.20E+07	7.70E+06	1.50E+07
NAAD	1.70E+06	2.40E+06	1.60E+06	1.70E+06	1.90E+06	1.90E+06	3.00E+06	2.50E+06	1.80E+06	1.40E+06	1.40E+06	1.60E+06	1.60E+06	1.50E+06	1.50E+06	7.90E+05	1.50E+06	8.50E+05	1.70E+06	1.90E+06	1.50E+06	1.40E+06	1.10E+06	1.40E+06
NADPH				2.30E+04	7.90E+04	8.20E+04	1.60E+04	1.80E+04	2.20E+04	3.20E+04	1.30E+04	5.60E+04		3.30E+03			3.20E+04	1.30E+04		3.80E+03		1.50E+04		4.10E+04
Oxalate	1.00E+06	1.40E+06	1.60E+06	4.70E+05	6.00E+05	6.40E+05	1.50E+06	1.60E+06	1.00E+06	6.40E+05	5.00E+05	7.80E+05	3.60E+05	3.30E+05	6.30E+05	6.40E+05	7.50E+05	4.10E+05	2.80E+05	4.10E+05	3.00E+05	1.10E+06	1.40E+06	1.80E+06
Phenylpyruvate	2.00E+06	2.10E+06	2.80E+06	1.30E+06	1.20E+06	1.50E+06	4.60E+06	4.10E+06	4.20E+06	1.90E+06	2.00E+06	2.30E+06	1.20E+06	1.20E+06	1.10E+06	2.30E+06	1.90E+06	2.10E+06	1.50E+06	1.60E+06	1.50E+06	1.90E+06	1.70E+06	1.80E+06
Shikimate	7.10E+05	9.50E+05	9.00E+05	1.00E+06	9.80E+05	9.30E+05	8.80E+05	8.10E+05	4.90E+05	7.80E+05	5.80E+05	7.30E+05			2.80E+05		2.10E+04		6.90E+05	7.30E+05	5.80E+05	3.00E+05	5.70E+04	3.20E+05
Succinate	3.20E+05	5.60E+05	6.10E+05	6.90E+05	7.80E+05	7.80E+05	9.40E+05	9.00E+05	5.30E+05	1.20E+06	8.10E+05	1.00E+06	3.70E+06	3.60E+06	3.60E+06	6.10E+05	9.60E+05	6.60E+05	5.00E+06	4.80E+06	4.10E+06	1.60E+06	1.20E+06	2.20E+06
Succinyl CoA	1.50E+05	2.80E+05	2.70E+05	2.50E+05	2.70E+05	2.80E+05	2.50E+05	2.10E+05	1.20E+05	2.50E+05	1.20E+05	2.00E+05	9.70E+04	1.10E+05	1.30E+05	2.20E+05	2.20E+05	1.90E+05				5.80E+04	7.80E+04	3.30E+04
Urate	2.70E+05	5.20E+05	4.90E+05	4.80E+05	5.00E+05	4.90E+05	4.80E+05	4.10E+05	1.70E+05	4.00E+05	1.70E+05	3.20E+05	3.00E+05	2.90E+05	3.00E+05	5.90E+04	1.10E+05	7.30E+04	1.90E+05	1.50E+05	1.10E+05		8.40E+03	1.20E+04
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	HMDB	Pubchem ID	KEGG ID	MRM
Methylisocitrate	HMDB0006471	513	C04593	205.0 / 125.0
Cyclic GMP	HMDB0001314	24316	C00942	344.0 / 79.0
AICAR	HMDB0001517	65110	C04677	257.0 / 125.0
5-phosphoribosylamine	HMDB0001128	439905	C03090	230.0 / 99.0
Acetyl CoA	HMDB0001206	444493	C00024	810.2 / 303.2
Acetyl Dephospho CoA	-	193680	-	730.2 / 303.1
Adenine	HMDB0000034	190	C00147	134.0 / 107.0
ADP	HMDB0001341	6022	C00008	428.0 / 136.0
ADP ribose	HMDB0001178	33576	C00301	560.0 / 348.0
L-Alanine	HMDB0000161	5950	C00041	90.1 / 44.0
AMP	HMDB0000045	6083	C00020	346.0 / 79.0
L-Arginine	HMDB0000517	6322	C00062	175.2 / 70.0
L-Asparagine	HMDB0000168	6267	C00152	131.0 / 114.0
L-Aspartic acid	HMDB0000191	5960	C00049	132.0 / 88.0
ATP	HMDB0000538	5957	C00002	508.0 / 410.0
Cyclic AMP	HMDB0000058	6076	C00575	328.0 / 134.0
Citrulline	HMDB0000904	9750	C00327	174.0 / 131.0
Cytidine monophosphate	HMDB0000095	8117	C00055	324.0 / 112.0
Cytidine triphosphate	HMDB0000082	6176	C00063	482.0 / 159.0
L-Cystine	HMDB0000192	67678	C00491	241.2 / 152.1
L-Cysteine	HMDB0000574	5862	C00097	122.0 / 76.1
Cytidine	HMDB0000089	6253	C00475	244.0 / 112.0
D-Alanyl-D-alanine	HMDB0003459	5460362	C00993	159.0 / 88.0
dATP	HMDB0001532	15993	C00131	490.0 / 159.0
dCMP	HMDB0001202	13945	C00239	306.0 / 195.0
Fructose 6-phosphate	HMDB0000124	69507	C00085	259.0 / 169.0
D-Glucosamine 6-phosphate	HMDB0001254	439217	C00352	258.0 / 97.0
D-Glucose 6-phosphate	HMDB0001401	5958	C00092	259.0 / 79.0
dGMP	HMDB0001044	65059	C00362	346.0 / 79.0
dGTP	HMDB0001440	65103	C00286	506.0 / 159.0
D-Ribulose 5-phosphate	HMDB0000618	439184	C00199	229.0 / 97.0
dTDP-D-glucose	HMDB0001328	443210	C00842	563.0 / 79.0
dTMP	HMDB0001227	9700	C00364	321.0 / 195.0
dTTP	HMDB0001342	64968	C00459	481.0 / 79.0
FAD	HMDB0001248	643975	C00016	784.0 / 79.0
CoA	HMDB0001423	87642	C00010	766.0 / 79.0
Fumarate	HMDB0000134	444972	C00122	115.0 / 71.0
D-Glucose	HMDB0000122	5793	C00221	179.1 / 89.1
Gluconate	HMDB0000625	10690	C00257	129.0 / 85.0
L-Glutamic acid	HMDB0000148	33032	C00025	148.1 / 84.0
L-Glutamine	HMDB0000641	5961	C00064	147.0 / 84.0
D-Glyceraldehyde 3-phosphate	HMDB0001112	729	C00118	169.0 / 79.0
Glycerol 3-phosphate	HMDB0000126	439162	C00093	171.0 / 63.0
Glycine	HMDB0000123	750	C00037	76.0 / 30.0
GMP	HMDB0001397	6804	C00144	362.0 / 79.0
Guanosine	HMDB0000133	6802	C00387	282.0 / 133.0
D-Galactose	HMDB0000143	439357	C00984	179.0 / 89.0
IMP	HMDB0000175	8582	C00130	349.0 / 137.0
Inosine	HMDB0000195	6021	C00294	269.0 / 137.0
ITP	HMDB0000189	8583	C00081	507.0 / 409.0
L-Leucine	HMDB0000687	6106	C00123	132.1 / 86.0
L-Lysine	HMDB0000182	5962	C00047	147.1 / 84.0
L-Malic acid	HMDB0000156	222656	C00149	133.0 / 115.0
L-Methionine	HMDB0000696	6137	C00073	150.2 / 104.0
NADP	HMDB0000217	5886	C00006	744.0 / 604.0
NAD	HMDB0000902	5893	C00003	662.0 / 540.0
NADH	HMDB0001487	928	C00004	664.0 / 408.0
Nicotinamide riboside	HMDB0000855	439924	C03150	335.0 / 123.0
Ornithine	HMDB0000214	6262	C00077	133.1 / 70.1
Oxaloacetate	HMDB0000223	970	C00036	131.0 / 87.0
Oxidized glutathione	HMDB0003337	975	C00127	611.0 / 272.0
L-Phenylalanine	HMDB0000159	6140	C00079	166.1 / 120.1
Phosphoenolpyruvate	HMDB0000263	1005	C00074	167.0 / 79.0
Citrate	HMDB0000094	311	C00158	191.0 / 111.0
L-Proline	HMDB0000162	145742	C00148	116.1 / 70.0
Pyridoxal phosphate	HMDB0001491	1051	C00018	248.1 / 150.1
Pyruvate	HMDB0000243	1060	C00022	87.0 / 32.0
D-Sedoheptulose 7-phosphate	HMDB0001068	22833559	C05382	289.0 / 79.0
L-Serine	HMDB0000187	5951	C00065	106.1 / 60.0
L-Theanine	HMDB0034365	439378	C01047	175.0 / 84.0
Thiamine	HMDB0000235	1130	C00378	265.2 / 247.0
Thiamine pyrophosphate	HMDB0001372	1132	C00068	425.4 / 304.3
L-Threonine	HMDB0000167	6288	C00188	120.1 / 103.2
Thymine	HMDB0000262	1135	C00178	125.0 / 42.0
L-Tryptophan	HMDB0000929	6305	C00078	205.1 / 146.0
L-Tyrosine	HMDB0000158	6057	C00082	182.1 / 165.2
Uridine 5'-diphosphate	HMDB0000295	6031	C00015	403.0 / 159.0
Uridine diphosphate glucose	HMDB0000286	53477679	C00029	565.0 / 323.0
Uridine 5'-monophosphate	HMDB0000288	6030	C00105	323.0 / 97.0
Uracil	HMDB0000300	1174	C00106	111.0 / 42.0
Uridine	HMDB0000296	6029	C00299	245.0 / 113.0
Uridine triphosphate	HMDB0000285	6133	C00075	483.0 / 79.0
L-Valine	HMDB0000883	6287	C00183	118.0 / 72.0
Xanthine	HMDB0000292	1188	C00385	151.0 / 108.0
2-Oxoglutarate	HMDB0000208	51	C00026	145.0 / 101.0
6-Phospho-D-gluconate	HMDB0001316	91493	C00345	275.0 / 97.0
Acetyl phosphate	HMDB0001494	186	C00227	139.0 / 63.0
Adenosine	HMDB0000050	60961	C00212	266.0 / 134.0
ADP-glucose	HMDB0006557	16500	C00498	588.0 / 79.0
alpha-D-Ribose 5-phosphate	HMDB0001548	440101	C03736	229.0 / 97.0
Biotin	HMDB0000030	171548	C00120	243.0 / 42.0
cis-Aconitate	HMDB0000072	643757	C00417	173.0 / 129.0
CoASH	HMDB0001423	87642	C00010	766.0 / 79.0
dADP	HMDB0001508	53477733	C00206	410.0 / 159.0
D-Arabinose 5-phosphate	HMDB0011734	188324	C01112	229.0 / 97.0
dCDP	HMDB0001245	150855	C00705	386.0 / 159.0
D-Glucose 1-phosphate	HMDB0001586	3403	C00103	259.0 / 241.0
Dihydroxyacetone phosphate	HMDB0001473	668	C00111	169.0 / 97.0
dIMP	HMDB0006555	91531	C06196	331.0 / 79.0
Folate	HMDB0000121	6037	C00504	440.0 / 311.0
GDP	HMDB0001201	8977	C00035	442.0 / 79.0
L-Histidine	HMDB0000177	6274	C00135	156.1 / 110.0
Hypoxanthine	HMDB0000157	790	C00262	135.0 / 92.0
Lactate	HMDB0000190	61503	C00186	89.0 / 45.0
Malonyl-CoA	HMDB0001175	10663	C03188	852.0 / 79.0
Methylmalonate	HMDB0000202	487	C02170	117.0 / 73.0
NAAD	HMDB0001179	583440	C00857	665.0 / 428.1
NADPH	HMDB0000221	22833512	C00005	744.0 / 408.0
Oxalate	HMDB0002329	971	C00209	89.0 / 45.0
Phenylpyruvate	HMDB0000205	997	C00166	163.0 / 91.0
Shikimate	HMDB0003070	8742	C00493	173.0 / 73.0
Succinate	HMDB0000254	1110	C00042	117.0 / 99.0
Succinyl CoA	HMDB0001022	439161	C00091	866.0 / 79.0
Urate	HMDB0000289	1175	C00366	167.0 / 124.0
METABOLITES_END
#END