#METABOLOMICS WORKBENCH deshpa11_20241113_100949 DATATRACK_ID:5368 STUDY_ID:ST003583 ANALYSIS_ID:AN005886 PROJECT_ID:PR002213
VERSION             	1
CREATED_ON             	November 14, 2024, 9:55 am
#PROJECT
PR:PROJECT_TITLE                 	Unraveling metabolism underpinning biomass composition shift in algae under
PR:PROJECT_TITLE                 	simulated outdoor conditions using 13C fluxomics
PR:PROJECT_TYPE                  	Life Sciences
PR:PROJECT_SUMMARY               	Algae have been widely investigated due to their promise as sustainable hosts
PR:PROJECT_SUMMARY               	for production of biofuels and biochemicals, and amenability to large scale
PR:PROJECT_SUMMARY               	outdoor cultivation. Algae biomass compositional quality is a key determinant of
PR:PROJECT_SUMMARY               	its value since valuable components such as carbohydrates and lipids can be
PR:PROJECT_SUMMARY               	converted to biofuels and other chemicals. The carbohydrate and lipid fraction
PR:PROJECT_SUMMARY               	of biomass are typically enriched during later stages of cultivation when
PR:PROJECT_SUMMARY               	nutrients such as nitrogen and phosphorous are depleted. In this work, we
PR:PROJECT_SUMMARY               	present a 13C labeling study to unravel the metabolic changes underpinning the
PR:PROJECT_SUMMARY               	transition from high protein content biomass under nitrogen replete status to a
PR:PROJECT_SUMMARY               	carbohydrate and lipid rich biomass under nitrogen depleted state in Scenedesmus
PR:PROJECT_SUMMARY               	UTEX 393. UTEX 393 tends to first accumulate carbohydrates and subsequently
PR:PROJECT_SUMMARY               	lipids, under outdoor cultivation conditions. Our work provides a unique insight
PR:PROJECT_SUMMARY               	into algal metabolism as we perform this study in a custom-built reactor
PR:PROJECT_SUMMARY               	equipped to match raceway pond operation. This is crucial to bridge the gap
PR:PROJECT_SUMMARY               	between ‘ideal’ laboratory conditions and ‘real-world’ cultivation
PR:PROJECT_SUMMARY               	conditions. We show that the transition to carbohydrates is characterized by
PR:PROJECT_SUMMARY               	increased flux diverted to starch instead of replenishing the CBB cycle for CO2
PR:PROJECT_SUMMARY               	fixation whereas the subsequent transition to lipids is fueled by NADPH produced
PR:PROJECT_SUMMARY               	by PEP carboxylase-ME cycle. The transition to lipid rich biomass is activated
PR:PROJECT_SUMMARY               	by first lowering the ATP/NADPH demand. Exogenous addition of malic acid showed
PR:PROJECT_SUMMARY               	a nearly two-fold lipid content under continuous illumination, however this
PR:PROJECT_SUMMARY               	improvement was significantly diminished under diel environmental conditions
PR:PROJECT_SUMMARY               	indicating that further work on diel flux dynamics is warranted. Our results
PR:PROJECT_SUMMARY               	will have a significant impact in further developing fluxomics methods for algae
PR:PROJECT_SUMMARY               	under real world conditions and guiding metabolic engineering strategies to
PR:PROJECT_SUMMARY               	control the flux of carbon to biofuels and biochemicals using a sustainable
PR:PROJECT_SUMMARY               	algae platform.
PR:INSTITUTE                     	National Renewable Energy Lab
PR:DEPARTMENT                    	Biosciences
PR:LABORATORY                    	Laurens Lab
PR:LAST_NAME                     	Laurens
PR:FIRST_NAME                    	Lieve
PR:ADDRESS                       	15013 Denver West Parkway, Golden, Colorado, 80401, USA
PR:EMAIL                         	lieve.laurens@nrel.gov
PR:PHONE                         	+1 720-273-6534
PR:FUNDING_SOURCE                	This work was financially supported by U.S. Department of Energy Office of
PR:FUNDING_SOURCE                	Energy Efficiency and Renewable Energy Bioenergy Technologies Office. The
PR:FUNDING_SOURCE                	National Renewable Energy Laboratory (NREL) is operated for the US DOE under
PR:FUNDING_SOURCE                	Contract No. DE-AC36-08GO28308. The views expressed in this article do not
PR:FUNDING_SOURCE                	necessarily represent the views of the DOE or the U.S. Government. The U.S.
PR:FUNDING_SOURCE                	Government retains and the publisher, by accepting the article for publication,
PR:FUNDING_SOURCE                	acknowledges that the U.S. Government retains a nonexclusive, paid-up,
PR:FUNDING_SOURCE                	irrevocable, world-wide license to publish or reproduce the published form of
PR:FUNDING_SOURCE                	this work, or allow others to do so, for U.S. Government purposes. 
PR:CONTRIBUTORS                  	Deshpande, A., Cawthon, B., Loob, J., Van Wychen, S., and Laurens, L.M.L
#STUDY
ST:STUDY_TITLE                   	Unraveling metabolism underpinning biomass composition shift in algae under
ST:STUDY_TITLE                   	simulated outdoor conditions using 13C fluxomics
ST:STUDY_TYPE                    	Algae
ST:STUDY_SUMMARY                 	Algae have been widely investigated due to their promise as sustainable hosts
ST:STUDY_SUMMARY                 	for production of biofuels and biochemicals, and amenability to large scale
ST:STUDY_SUMMARY                 	outdoor cultivation. Algae biomass compositional quality is a key determinant of
ST:STUDY_SUMMARY                 	its value since valuable components such as carbohydrates and lipids can be
ST:STUDY_SUMMARY                 	converted to biofuels and other chemicals. The carbohydrate and lipid fraction
ST:STUDY_SUMMARY                 	of biomass are typically enriched during later stages of cultivation when
ST:STUDY_SUMMARY                 	nutrients such as nitrogen and phosphorous are depleted. In this work, we
ST:STUDY_SUMMARY                 	present a 13C labeling study to unravel the metabolic changes underpinning the
ST:STUDY_SUMMARY                 	transition from high protein content biomass under nitrogen replete status to a
ST:STUDY_SUMMARY                 	carbohydrate and lipid rich biomass under nitrogen depleted state in Scenedesmus
ST:STUDY_SUMMARY                 	UTEX 393. UTEX 393 tends to first accumulate carbohydrates and subsequently
ST:STUDY_SUMMARY                 	lipids, under outdoor cultivation conditions. Our work provides a unique insight
ST:STUDY_SUMMARY                 	into algal metabolism as we perform this study in a custom-built reactor
ST:STUDY_SUMMARY                 	equipped to match raceway pond operation. This is crucial to bridge the gap
ST:STUDY_SUMMARY                 	between ‘ideal’ laboratory conditions and ‘real-world’ cultivation
ST:STUDY_SUMMARY                 	conditions. We show that the transition to carbohydrates is characterized by
ST:STUDY_SUMMARY                 	increased flux diverted to starch instead of replenishing the CBB cycle for CO2
ST:STUDY_SUMMARY                 	fixation whereas the subsequent transition to lipids is fueled by NADPH produced
ST:STUDY_SUMMARY                 	by PEP carboxylase-ME cycle. The transition to lipid rich biomass is activated
ST:STUDY_SUMMARY                 	by first lowering the ATP/NADPH demand. Exogenous addition of malic acid showed
ST:STUDY_SUMMARY                 	a nearly two-fold lipid content under continuous illumination, however this
ST:STUDY_SUMMARY                 	improvement was significantly diminished under diel environmental conditions
ST:STUDY_SUMMARY                 	indicating that further work on diel flux dynamics is warranted. Our results
ST:STUDY_SUMMARY                 	will have a significant impact in further developing fluxomics methods for algae
ST:STUDY_SUMMARY                 	under real world conditions and guiding metabolic engineering strategies to
ST:STUDY_SUMMARY                 	control the flux of carbon to biofuels and biochemicals using a sustainable
ST:STUDY_SUMMARY                 	algae platform.
ST:INSTITUTE                     	National Renewable Energy Lab
ST:DEPARTMENT                    	Biosciences
ST:LABORATORY                    	Laurens Lab
ST:LAST_NAME                     	Laurens
ST:FIRST_NAME                    	Lieve
ST:ADDRESS                       	15013 Denver West Paekway, Golden, CO 80401
ST:EMAIL                         	lieve.laurens@nrel.gov
ST:PHONE                         	+1 720-273-6534
#SUBJECT
SU:SUBJECT_TYPE                  	Plant
SU:SUBJECT_SPECIES               	Scenedesmus obliquus UTEX 393
#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           	-	B_0	Sample source:UTEX 393 | Sampling __ N depletion:Before | Time (s):0	RAW_FILE_NAME(Filename)=B_0.mzML
SUBJECT_SAMPLE_FACTORS           	-	B_30S	Sample source:UTEX 393 | Sampling __ N depletion:Before | Time (s):30	RAW_FILE_NAME(Filename)=B_30S.mzML
SUBJECT_SAMPLE_FACTORS           	-	B_1M	Sample source:UTEX 393 | Sampling __ N depletion:Before | Time (s):60	RAW_FILE_NAME(Filename)=B_1M.mzML
SUBJECT_SAMPLE_FACTORS           	-	B_5M	Sample source:UTEX 393 | Sampling __ N depletion:Before | Time (s):300	RAW_FILE_NAME(Filename)=B_5M.mzML
SUBJECT_SAMPLE_FACTORS           	-	B_20M	Sample source:UTEX 393 | Sampling __ N depletion:Before | Time (s):1200	RAW_FILE_NAME(Filename)=B_20M.mzML
SUBJECT_SAMPLE_FACTORS           	-	B_60M	Sample source:UTEX 393 | Sampling __ N depletion:Before | Time (s):3600	RAW_FILE_NAME(Filename)=B_60M.mzML
SUBJECT_SAMPLE_FACTORS           	-	D_0	Sample source:UTEX 393 | Sampling __ N depletion:During | Time (s):0	RAW_FILE_NAME(Filename)=D_0.mzML
SUBJECT_SAMPLE_FACTORS           	-	D_30S	Sample source:UTEX 393 | Sampling __ N depletion:During | Time (s):30	RAW_FILE_NAME(Filename)=D_30S.mzML
SUBJECT_SAMPLE_FACTORS           	-	D_1M	Sample source:UTEX 393 | Sampling __ N depletion:During | Time (s):60	RAW_FILE_NAME(Filename)=D_1M.mzML
SUBJECT_SAMPLE_FACTORS           	-	D_5M	Sample source:UTEX 393 | Sampling __ N depletion:During | Time (s):300	RAW_FILE_NAME(Filename)=D_5M.mzML
SUBJECT_SAMPLE_FACTORS           	-	D_20M	Sample source:UTEX 393 | Sampling __ N depletion:During | Time (s):1200	RAW_FILE_NAME(Filename)=D_20M.mzML
SUBJECT_SAMPLE_FACTORS           	-	D_60M	Sample source:UTEX 393 | Sampling __ N depletion:During | Time (s):3600	RAW_FILE_NAME(Filename)=D_60M.mzML
SUBJECT_SAMPLE_FACTORS           	-	A_0	Sample source:UTEX 393 | Sampling __ N depletion:After | Time (s):0	RAW_FILE_NAME(Filename)=A_0.mzML
SUBJECT_SAMPLE_FACTORS           	-	A_30S	Sample source:UTEX 393 | Sampling __ N depletion:After | Time (s):30	RAW_FILE_NAME(Filename)=A_30S.mzML
SUBJECT_SAMPLE_FACTORS           	-	A_1M	Sample source:UTEX 393 | Sampling __ N depletion:After | Time (s):60	RAW_FILE_NAME(Filename)=A_1M.mzML
SUBJECT_SAMPLE_FACTORS           	-	A_5M	Sample source:UTEX 393 | Sampling __ N depletion:After | Time (s):300	RAW_FILE_NAME(Filename)=A_5M.mzML
SUBJECT_SAMPLE_FACTORS           	-	A_20M	Sample source:UTEX 393 | Sampling __ N depletion:After | Time (s):1200	RAW_FILE_NAME(Filename)=A_20M.mzML
SUBJECT_SAMPLE_FACTORS           	-	A_60M	Sample source:UTEX 393 | Sampling __ N depletion:After | Time (s):3600	RAW_FILE_NAME(Filename)=A_60M.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Transient 13C labeling was performed at midday on days 2, 4, and 9 to represent
CO:COLLECTION_SUMMARY            	states before, during, and after nitrogen depletion conditions in the SAGE #3
CO:COLLECTION_SUMMARY            	bioreactor system. Each experiment (before, during, and after) was performed
CO:COLLECTION_SUMMARY            	separately due to the destructive nature of sampling. The entire labeling
CO:COLLECTION_SUMMARY            	experiment occurred from 30 min before the midday light peak to 30 mins after.
CO:COLLECTION_SUMMARY            	CO2 supply via pH feedback was stopped 5 minutes before 13C label introduction
CO:COLLECTION_SUMMARY            	via a bolus addition of 11.76 mM NaH13CO3 (Cambridge Isotope Laboratories,
CO:COLLECTION_SUMMARY            	Andover, MA) and 5 mM N-2-hydroxyethylpiperazine-N’-2-ethanesulfonic acid
CO:COLLECTION_SUMMARY            	(HEPES) buffer (Sigma Aldrich, St. Louis) to each reactor. NaH13CO3 was
CO:COLLECTION_SUMMARY            	preferred to 13CO2 to avoid gas-liquid mass transfer limitations and achieve
CO:COLLECTION_SUMMARY            	rapid equilibrium. The buffer is needed to maintain culture pH at ~7.5. Six
CO:COLLECTION_SUMMARY            	timepoints were chosen for metabolite sampling: 0 (unlabeled), 30 s, 1 min, 5
CO:COLLECTION_SUMMARY            	min, 20 min, and 1 hr and each of the six reactors represented a separate
CO:COLLECTION_SUMMARY            	timepoint. These time points were chosen to capture the complete labeling
CO:COLLECTION_SUMMARY            	dynamics of the rapidly labeling Calvin Benson Bassham (CBB) cycle metabolites
CO:COLLECTION_SUMMARY            	as well as relatively slower labeling metabolites. Depending on culture density,
CO:COLLECTION_SUMMARY            	60-300 mL of culture was sampled using a 300 mL syringe, rapidly filtered via a
CO:COLLECTION_SUMMARY            	fast filtration setup using 9 cm Fisherbrand glass fiber filters (Catalog
CO:COLLECTION_SUMMARY            	No.09-804-90A) and quenched in liquid nitrogen bath. The whole process of
CO:COLLECTION_SUMMARY            	drawing the sample to quenching consistently took ~15 s and was performed by a
CO:COLLECTION_SUMMARY            	team of two researchers. The remaining culture was used for analysis of biomass
CO:COLLECTION_SUMMARY            	composition, total nitrogen, and ash free dry weight (AFDW) in accordance with
CO:COLLECTION_SUMMARY            	NREL laboratory analytical procedures.
CO:SAMPLE_TYPE                   	Algae
#TREATMENT
TR:TREATMENT_SUMMARY             	Depending on culture density, 60-300 mL of culture was sampled using a 300 mL
TR:TREATMENT_SUMMARY             	syringe, rapidly filtered via a fast filtration setup using 9 cm Fisherbrand
TR:TREATMENT_SUMMARY             	glass fiber filters (Catalog No.09-804-90A) and quenched in liquid nitrogen
TR:TREATMENT_SUMMARY             	bath. The whole process of drawing the sample to quenching consistently took ~15
TR:TREATMENT_SUMMARY             	s and was performed by a team of two researchers. The remaining culture was used
TR:TREATMENT_SUMMARY             	for analysis of biomass composition, total nitrogen, and ash free dry weight
TR:TREATMENT_SUMMARY             	(AFDW) in accordance with NREL laboratory analytical procedures
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Biomass filters stored at -80°C were kept on dry ice prior to metabolite
SP:SAMPLEPREP_SUMMARY            	extraction. Filters were then transferred to 15 mL centrifuge tubes on dry ice
SP:SAMPLEPREP_SUMMARY            	and extraction was performed by adding 2 mL of methanol at -20°C followed by
SP:SAMPLEPREP_SUMMARY            	maceration until a pulp was formed. Subsequently, 2 mL of chloroform at 4°C was
SP:SAMPLEPREP_SUMMARY            	added and the pulp macerated. Once extraction was complete with the
SP:SAMPLEPREP_SUMMARY            	methanol:chloroform mixture, 5 mL of chloroform and 1 mL of 0.05% ammonium
SP:SAMPLEPREP_SUMMARY            	hydroxide (pH ~10.4) was added for phase separation. The extracts were vortexed
SP:SAMPLEPREP_SUMMARY            	gently followed by centrifugation at 4°C at 2500 g. The clear layer on top was
SP:SAMPLEPREP_SUMMARY            	removed, filtered using a syringe filter, diluted in acetonitrile (ACN) (3:1
SP:SAMPLEPREP_SUMMARY            	ACN: extract) and finally transferred to a vial prior to injection.
SP:PROCESSING_STORAGE_CONDITIONS 	Described in summary
SP:EXTRACTION_METHOD             	Methanol-Chloroform-Water
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	The metabolites were separated using hydrophilic interaction chromatography
CH:CHROMATOGRAPHY_SUMMARY        	(HILIC) using a BEH Amide column (1.7 µm, 2.1 mm X 150 mm, ACQUITY Premier BEH
CH:CHROMATOGRAPHY_SUMMARY        	Amide, Waters Corporation) via a gradient method. Solvent A comprised of 20 mM
CH:CHROMATOGRAPHY_SUMMARY        	ammonium acetate and 15 mM ammonium hydroxide in 97% 18.2 mΩ-cm water and 3%
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile whereas solvent B comprised of 20 mM ammonium acetate and 15 mM
CH:CHROMATOGRAPHY_SUMMARY        	ammonium hydroxide in 95% acetonitrile and 5% 18.2 mΩ-cm water. All the
CH:CHROMATOGRAPHY_SUMMARY        	chemicals used were LC-MS grade. The chromatography method used a constant flow
CH:CHROMATOGRAPHY_SUMMARY        	rate of 0.2 mL/min and a linear gradient to enable separation of a wide range of
CH:CHROMATOGRAPHY_SUMMARY        	metabolites followed by a column regeneration step as follows: 90% solvent B for
CH:CHROMATOGRAPHY_SUMMARY        	1 min followed by a linear gradient down to 75% solvent B for 23 min, a linear
CH:CHROMATOGRAPHY_SUMMARY        	gradient down to 45% solvent B in 2 min, a linear gradient down to 25% B in 4
CH:CHROMATOGRAPHY_SUMMARY        	min, followed by a step to the starting composition of 90% B and hold for 6 min
CH:CHROMATOGRAPHY_SUMMARY        	for column regeneration for a total run time of 36 min. The column temperature
CH:CHROMATOGRAPHY_SUMMARY        	was maintained at 25°C and injection volume was set to 20 µL. Metabolite
CH:CHROMATOGRAPHY_SUMMARY        	extracts were diluted such that the final injection solvent was 75%
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile. Data was collected using a Thermo Scientific Q-Exactive mass
CH:CHROMATOGRAPHY_SUMMARY        	spectrometer in negative ion mode. The scan ranged from 75 to 1000 m/z with a
CH:CHROMATOGRAPHY_SUMMARY        	resolution of 140,000. AGC target was set to 3e6 while maximum IT was 200 ms.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters ACQUITY Premier BEH Amide (150 x 2.1 mm, 1.7µm)
CH:SOLVENT_A                     	97% Water (18.2 mΩ-cm)/3% Acetonitrile; 20 mM ammonium acetate; 15 mM ammonium hydroxide 
CH:SOLVENT_B                     	95% Acetonitrile/5% Water (18.2 mΩ-cm); 20 mM ammonium acetate; 15 mM ammonium hydroxide 
CH:FLOW_GRADIENT                 	90% solvent B for 1 min followed by a linear gradient down to 75% solvent B for
CH:FLOW_GRADIENT                 	23 min, a linear gradient down to 45% solvent B in 2 min, a linear gradient down
CH:FLOW_GRADIENT                 	to 25% B in 4 min, followed by a step to the starting composition of 90% B and
CH:FLOW_GRADIENT                 	hold for 6 min for column regeneration for a total run time of 36 min
CH:FLOW_RATE                     	0.2 mL/min
CH:COLUMN_TEMPERATURE            	25°C
CH:INTERNAL_STANDARD             	1-13C Leucine
CH:RANDOMIZATION_ORDER           	Samples were randomized
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Data was collected using a Thermo Scientific Q-Exactive mass spectrometer in
MS:MS_COMMENTS                   	negative ion mode. The scan ranged from 75 to 1000 m/z with a resolution of
MS:MS_COMMENTS                   	140,000. AGC target was set to 3e6 while maximum IT was 200 ms.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Normalized Area Count
MS_METABOLITE_DATA_START
Samples	A_0	A_1M	A_5M	A_20M	A_30S	A_60M	B_0	B_1M	B_5M	B_20M	B_30S	B_60M	D_0	D_1M	D_5M	D_20M	D_30S	D_60M
Factors	Sample source:UTEX 393 | Sampling __ N depletion:After | Time (s):0	Sample source:UTEX 393 | Sampling __ N depletion:After | Time (s):60	Sample source:UTEX 393 | Sampling __ N depletion:After | Time (s):300	Sample source:UTEX 393 | Sampling __ N depletion:After | Time (s):1200	Sample source:UTEX 393 | Sampling __ N depletion:After | Time (s):30	Sample source:UTEX 393 | Sampling __ N depletion:After | Time (s):3600	Sample source:UTEX 393 | Sampling __ N depletion:Before | Time (s):0	Sample source:UTEX 393 | Sampling __ N depletion:Before | Time (s):60	Sample source:UTEX 393 | Sampling __ N depletion:Before | Time (s):300	Sample source:UTEX 393 | Sampling __ N depletion:Before | Time (s):1200	Sample source:UTEX 393 | Sampling __ N depletion:Before | Time (s):30	Sample source:UTEX 393 | Sampling __ N depletion:Before | Time (s):3600	Sample source:UTEX 393 | Sampling __ N depletion:During | Time (s):0	Sample source:UTEX 393 | Sampling __ N depletion:During | Time (s):60	Sample source:UTEX 393 | Sampling __ N depletion:During | Time (s):300	Sample source:UTEX 393 | Sampling __ N depletion:During | Time (s):1200	Sample source:UTEX 393 | Sampling __ N depletion:During | Time (s):30	Sample source:UTEX 393 | Sampling __ N depletion:During | Time (s):3600
2-phosphoglyceric acid_0	139945920.8	56283808.58	29424805.8	3823243.183	976958840.2	36512728.05	7015282647	511192319.7	687258656.1	19558394.16	464758076.4	13001040.89	2746851714	85332967.99	82028145.48	207350324.6	1310377678	899360492
2-phosphoglyceric acid_1	8499397.209	58223916.97	43606105.97	3890846.507	335924739.8	63029730.15	231333933	692220039.7	560826186.9	21094134.84	488331591.1	38042742.13	100823941	68196149.23	57441944.35	103945392.6	578755837	987739107.5
2-phosphoglyceric acid_2	1685686.84	11510684.34	31972611.88	6553079.319	95917.29796	117561503.6	10283640.26	429077749.7	1355953514	53174523.4	146511097.4	114989296.2	13272769.97	30303492.57	58592065.1	245077536	12429478.66	2811703024
2-phosphoglyceric acid_3	818457.9087	5243792.188	48220081.7		10187578.58	264891642.2	13150278.23	297237259.1	2018617196		59681163.51	110374728.8	22462804.29	25658168.4	177758742.8	603941788.6	29790362.8	4068744822
3-phosphoglyceric acid_0	139945920.8	56283808.58	29424805.8	5613435.672	976958840.2	36512728.05	7015282647	511192319.7	687258656.1	24014437	464758076.4	23136828.44	2746851714	85332967.99	82028145.48	207350324.6	1310377678	899360492
3-phosphoglyceric acid_1	8499397.209	58223916.97	43606105.97	4880261.076	335924739.8	63029730.15	231333933	692220039.7	560826186.9	21094134.84	488331591.1	38042742.13	100823941	75338498.67	57441944.35	103945392.6	578755837	987739107.5
3-phosphoglyceric acid_2	1685686.84	11510684.34	31972611.88	9081561.645	30650945.64	117561503.6	10283640.26	429077749.7	1355953514	53174523.4	146511097.4	114989296.2	13272769.97	30303492.57	84499814.71	245077536	86588262.11	2811703024
3-phosphoglyceric acid_3	1991217.37	5243792.188	48220081.7	20423701.4	10187578.58	264891642.2	13150278.23	297237259.1	2018617196	89999437.29	59681163.51	110374728.8	22462804.29	25658168.4	177758742.8	603941788.6	29790362.8	4068744822
Alpha-ketoglutarate_0	216106700.5	245243644.4	211656813.5	124240968.7	228591076.1	141719078.3	1214104650	1187569162	884352496.6	479506666.8	865383207.4	183176240.6	692572981.3	417090112.9	450618540.5	228870689.6	569063117.2	516783945
Alpha-ketoglutarate_1	12247275.59	14007635.41	14084009.75	14745447.78	12045568.02	32167982.19	64981644.24	71997225.94	77075860.1	54657791.11	49545675.62	33536068.67	37939788.3	26325787.28	38413692.21	42408747.33	32402779.85	122055770.5
Alpha-ketoglutarate_2	108425.9423	143109.3549	1294838.061	10925251.34		43050903.49	694821.3531	5085425.291	46156850.23	73802344.07	1090071.107	82311192.84	231809.3748	1917821.652	21254189.57	72960084.53	1138142.84	195316091.4
Alpha-ketoglutarate_3			105037.7874	6260368.05		44936179.59			13698752.17	109537121.6		196667150.7			3196855.324	47847324.09		216967252.8
Alpha-ketoglutarate_4				1911845.616		27498245.01			9414182.317	169279739.8		321262553.3			538301.7774	45658825.81		226344488.2
Alpha-ketoglutarate_5				2040092.551		32079730.02			8468925.68	178916374.4		279104207.7			758160.1707	60907641.04		180806931.2
Arginine_0	137793432	98453673.62	86347498.89	74355651.87	94328289.47	142028365.9	1192901708	1426413208	1338812333	1198607361	1106470692	1182318132	1310129508	1050059855	433049241.3	881612423.2	916363393.2	1158519307
Arginine_1	8726429.724	6887767.793	12541719.35	15070926.46	6328008.718	17241676.02	75520765.12	110202913.3	171192852.3	285649608.9	80086982.39	282455604.8	87688135.5	73596028.65	33502653.35	130759331.9	55970326.46	108942970.5
Arginine_2	55022.28661	49609.79906	428533.2173	626628.2314	48044.58828	693703.6332	1817085.248	2653254.11	7315062.957	26037290.87	1716992.091	33030420.69	1615502.264	1759205.391	555107.3145	11208272.89	1147968.991	9939707.761
Arginine_3						290517.9966			1153895.699	22534170.29		52392092.4				11800008.57		10135520.26
Arginine_4						57218.70967				24605069.92		94535682.03				4721123.181		7627759.194
Arginine_5										28006958.67		141635856.4				4188033.247		7394448.538
Arginine_6										23731183.97		96780563.29				4070345.901		3655110.432
Asparagine_0	131669727.2	73134088.43	78106828.09	61656173.57	65364856.84	110582815.1	511349879.8	519079445.1	554839363.7	211253333.8	478951163.4	134011690	273729586.8	160520093.8	153903685.6	194745581.9	228960923.8	173211212.2
Asparagine_1	5406383.387	2984217.948	3385327.79	3281184.448	2692541.394	6126140.905	20067292.06	22620732.76	44315833.91	26185795.92	19940128.02	24953676.71	10569145.7	6587441.522	6754664.36	14835523.96	8760557.844	12334772.2
Asparagine_2						889912.3342			13109240.47	36465328.44		78214290.02				9298412.556		12452623.56
Asparagine_3						1229747.35			18284491.7	100306424.5		197373976.8				16521621.88		21900374.32
Asparagine_4				119786.2509		1848409.848			21392115.63	141209670.9		220348270.3				30779454.22		23973554.28
Aspartic acid_0	1657500906	1107420218	1058530674	279108603.3	793852329.4	224845649.4	8525958718	5826103213	3985700411	224864959.5	7250482001	206595587.6	3983948182	2054903738	1815076797	715116630.2	1903835931	901462073.5
Aspartic acid_1	70211719.63	99924088.77	358912175	351595541.8	61949412.2	445408071.5	364379811.6	774811604.9	1085756167	247946500.7	549562027	297144087	173141834.2	169515481.4	383257170	305242255.6	132792331.7	465631501.8
Aspartic acid_2	1531057.358	7670429.074	55461402.47	126384195	3667011.568	337312805.9	5781067.012	310619638.6	807961481.8	653896044	63161554.54	1079345134	2577493.451	24388936.5	134438021.1	460654532.2	7493185.213	832580884.2
Aspartic acid_3	1030922.746	1240796.306	29632191.46	138588279	311109.2893	446313812.2		129124731.2	1433846321	1938652616	13998919.06	2715854699		12756468.71	166045527	807750973.9	1702435.101	1364362779
Aspartic acid_4	1206739.547	249309.1767	21705263.87	203369543.8	71564.81601	701318819.1		41470366.92	1498714405	2587998427	4451720.608	3006841524		2472714.482	139534370.5	1319101946	246674.8966	1366263259
Citrate/Isocitrate_0	640774546.8	142743784.1	151491962.8	21572315.71	1405381561	165755335.8	4166503564	1440107628	1420274164	112666424.2	717390611.2	154891657.1	1928009803	588494336.6	157278863.2	327922792.1	3456984476	606994613.5
Citrate/Isocitrate_1	40143362.81	31707425.23	52003507.33	11872803.08	216561872.7	119787237.8	286012602.4	499941432	665668288.9	27212287.3	169882883.1	35777041.79	136303279.6	180059878.8	90504206.45	241767699.6	571711340.3	471994430.9
Citrate/Isocitrate_2	2596473.686	3503225.644	19931731.16	7097199.085	14355010.13	80674679.05	8901268.671	263492785.7	748671945.2	25164444.88	35546358.61	42833212.53	13283021.42	59079524.57	105995052.3	401309118.6	54920987.25	595115310.9
Citrate/Isocitrate_3	98825.78684	320017.1698	6610680.995	6654831.545	2361448.957	108653481.5	1436177.856	64018818.84	370132787.5	32702933.13	4776262.418	46397073.84	10254615.96	15140662.31	32337469.44	322562485	6351292.7	646861559.2
Citrate/Isocitrate_4	201558.6137	309443.4599	1861776.143	4422264.047	1263199.062	102115405.7	1272809.072	39318417.54	371685560.7	64750043.25	1647565.49	194116740.3	10115955.58	3061259.131	15848352.24	449023787.6	3510396.706	906804230.5
Citrate/Isocitrate_5	175928.4311	313824.5594	1006674.256	3881892.968	2597076.408	86510152.4	1788232.133	23239376.53	388376290	145858788.2	1831325.582	140820004.1	8352756.475	2704202.775	14421417.87	497963268.3	4442692.559	925244060.3
Citrate/Isocitrate_6	80819.91379	219527.545	560208.249	3841389.22	609707.6267	89348516.97	401002.1156	16549853.78	278272440.9	89311999.76	308011.6674	101697774.4	8655237.587	2213429.486	9135598.676	502043756.1	1247536.193	603379595.4
Cysteine_0	3570175.04	4345302.511	4183880.943	3072393.002	11144435.72	3383768.171	5278731.963	6739986.63	15477707.68	9775572.107	3026546.766	24500149.48	16982529.96	35201461.9	10527254.53	29140917.6	36175536.47	23264559.42
Cysteine_1					96333.42507				550731.9409	151000.9314		1395024.485	180096.4951		101001.8405	626327.4186	450630.3078	803700.4615
Cysteine_2												2821606.313				376079.2175		530027.9044
Cysteine_3										294959.9068		4145188.481				493898.5212		824656.3066
DHAP_0	18370165.47	6140106.083	3142983.269	1295156.634	10233452.07	2274041.77	25640272.92	17009466.74	4921929.707	4032336.955	19927454.91	4532934.722	18803213.14	14415111	4492567.861	4403915.913	21425412.16	2549841.208
DHAP_1	253444.1053	2217761.813	2782806.218	814099.9495	1474935.389	1718767.283	329414.6614	8391149.183	2944030.071	682564.6197	6807112.95	3144886.455	185007.0671	5401539.372	5226222.299	2832545.721	11854791.1	3882963.135
DHAP_2	558561.6058	440069.1423	2001672.049	915934.3179	858162.6477	2839847.691	7304696.579	4039278.995	6234637.754	7371204.658	1262933.548	10825666.13	1888494.632	1182838.778	5306559.137	5004775.511	285092.3021	11789347.47
DHAP_3			2027301.833	2767449.96		6606947.566		672182.7402	9649564.904	13287636.27		18152923.21		590566.7755	10726298.04	14416426.56		20830783.94
Erythrose 4-phosphate_0	33520427.62	12498085.72	4570352.703	2277141.036	18440030.43	4328132.377	40555317.4	30393238.18	10739915.88	10335125.34	34170499.7	11519927.68	37398638.2	25899148.62	9923697.808	9999446.839	47051545.82	5255975.288
Erythrose 4-phosphate_1	1814820.094	3474566.361	2380628.156	820402.5239	2817750.422	1220537.019	2029996.781	14353817.3	1878147.278	149129.0191	11938926.5	1845629.739	1564194.38	8951021.497	4823507.671	2186236.149	8871742.335	2946654.624
Erythrose 4-phosphate_2	428970.6695	1782349.435	4818449.821	1848282.212	245035.5418	3600964.959		19478927.46	8216131.772	7700274.969	8760179.975	14079396.2	309872.2829	7308842.945	8740996.42	3914409.696	3063867.603	19952154.54
Erythrose 4-phosphate_3		154874.33	3195361.118	2935521.099		5822050.446		9487435.663	19177151.64	15293256.67	845333.154	26928896.09		2662115.366	11905065.02	12135972.67		42044904.87
Erythrose 4-phosphate_4			3163797.394	5356322		8132173.28		4338016.09	19522674.02	19259987.56		25933451.85		919343.5313	18014243.12	19838452.06		40554378.27
Fructose-6-phosphate_0	52164599.39	16392006.99	5480965.64	2577103.252	36566111.04	5353196.026	170310718	63159994.2	24483218.6	10162820.26	70498917.75	12463324.22	81395186.81	33778412.52	9214417.957	13591936.49	95036709.92	10986927.27
Fructose-6-phosphate_1	3923070.058	5140408.084	3199249.914	767965.7023	6145473.658	1701892.063	11260151.31	26891388.15	7626455.192	3443011.4	26066137.85	3652506.769	6179448.665	13930147.55	3965095.07	3976806.799	21849225.61	5450777.051
Fructose-6-phosphate_2		2761825.46	4937299.886	1582110.457	920147.4941	3107022.049		23914569.63	15603313.21	7499237.522	16028851.26	9002499.085		10907550.29	7677957.2	8117523.813	6986661.346	10543552.8
Fructose-6-phosphate_3		781125.435	4796829.727	2080850.194		3665412.345		16894717.26	16791075.25	7612116.81	6433470.492	11103326.92		5388712.446	9118661.992	9308441.335	1447206.264	23104257.31
Fructose-6-phosphate_4		99613.40482	4659865.53	3294372.062		6805237.627		10219016.23	33210610.06	18741764.96	2489041.611	27000667.13		3624632.823	15855415.43	16748249.66	101827.0491	50443448.35
Fructose-6-phosphate_5			2941874.089	4434458.483		8343562.2		4315001.454	36065242.23	27317619.51		36867304.15		1222587.159	15181994.89	23378290.63		73126061.92
Fructose-6-phosphate_6			2154896.652	4052234.23		9440962.463		625150.0174	27567858.28	24219277.69		26840506.31		338479.9482	14935438.74	28156570.31		51294653.22
fumarate_0	1690330290	1229348828	748711887.2	241056451.9	1480072560	191092717.7	5224449371	3496550441	1437393680	160834948.8	3731515923	142600400.7	2997568563	1747327295	1241876870	495317536.9	2537857323	774221213.7
fumarate_1	77248064.3	123752790.7	263956252.2	315828954.9	110945448	395359485.6	230528755.9	521312835.8	465708076.7	212879936.5	346874462.5	243199329.5	135824093.8	166412346.1	277838133.6	232130457.6	201150187.3	427698524.6
fumarate_2	1389164.827	12894993.65	54903984.89	121262016.6	8943204.748	324610352	3697197.862	229338289.2	441017966.8	551958975.8	48448043.51	891416445.7	2358618.624	27092475.3	105937647.4	322945312.9	15073516.84	817593075
fumarate_3	817497.8931	2638790.401	32838533.89	137029034.1	655897.7354	416407570.5		99702866.08	712454485.8	1621771189	12561653.73	2178983832	347764.6867	15871148.21	139609049.3	612580281.1	1660502.378	1329004474
fumarate_4	4046298.101	4836153.027	21181656.65	191382129.4	1831149.238	636408150	5027845.367	39756634.34	639438629.1	2047972507	15218170.18	2347938449	7000121.688	9284174.498	102362676.9	820884056	3091220.126	1319777164
glucose-6-phosphate_0	408342826.5	121804461.6	35282400.31	17162350.64	197864757.1	30471686.11	464247582.3	302320159.6	352703791.8	174737493.5	330732104.3	141492496.9	386177307.4	220193897.4	110885857	137445492.5	487002936.4	168204887.8
glucose-6-phosphate_1	28385349.09	37270407.59	18232901.61	4680863.752	31113443.78	8682774.054	32786690.49	108647952.6	32221693.22	14887556.81	117621458.1	18099779.77	29118806.25	94405468.02	23206629.53	15915050.4	117626495.9	15048082.47
glucose-6-phosphate_2		19469586.66	29436502.41	8242333.54	6307093.808	16182525.42		109289643.4	32403127.09	22877354.22	66947110.38	33443916.84	436762.4768	72950456.99	53448465.34	33502720.18	38709796.28	34981976.46
glucose-6-phosphate_3		5122568.64	30301658.75	14688873.96	642075.0785	27108756.47		71521493.02	58616166.99	37508993.87	27494219.77	62518675.73		36456191.83	68768520.44	37657858.28	10016748.42	73615862.69
glucose-6-phosphate_4		1866141.655	31308917.33	25008659.98	114389.723	43550392.54		41945193.49	97287963.06	95793778.62	13199717.25	160429021.1	748609.1135	25409386.4	115429291.1	66993960.05	2625992.878	166660859.8
glucose-6-phosphate_5		70274.80565	18436499.21	31576405.48		53345061.6		22810643.97	121332106.4	167711701.2	1376654.811	210405734.9	233910.2897	7473072.873	118895372.3	106004157.7	241268.0024	256878232.8
glucose-6-phosphate_6		43948.82774	11517777.23	30897781.01	55471.5525	50361138.92	1802377.761	5464147.147	88109855.82	153564292.6	901749.9203	171914506	1040433.779	4986761.848	105771784.1	135498740.6	747524.0351	180249782
Glutamic acid_0	3704095858	2847259677	2732104701	1596366761	2966198837	1731223164	14552622389	13688115231	14812169053	5500735411	14698778694	2668208845	5986525426	4041193923	3949141220	2824883357	3736069083	3691197375
Glutamic acid_1	201651277.5	159941027.3	176406561.3	179732560	163198429.2	372437615.7	797570171.8	823883372.6	1268903111	637369197	825627600.9	517159982.5	324397501.9	245451790.3	331533117.6	522584543.2	217384194.4	868277077.6
Glutamic acid_2	5182074.638	3759318.141	21844454.56	150176973.4	3562048.028	483561048.5	14940030.69	57226588.01	742996514.2	831016571	25660567.72	1314769451	6701563.971	23065212.81	172252034.8	881004984.6	8396772.634	1343218837
Glutamic acid_3	1771485.439		2957147.184	76793441.35		483772487.3		5837107.251	233592090.4	1191294810		3072522618		1302959.169	26627596.15	579246881.4		1433639805
Glutamic acid_4	2549310.131			28384069.41		296444214.7		236037.5875	147643612.6	1789210423		4901428573			8247059.762	541968344.7		1465270969
Glutamic acid_5	2477442.921			29874561.05		344535362.4			121781272.3	1858857211		4330164512			8697830.358	712308760.6	1737638.502	1161565856
Glutamine_0	743766801.1	569912764.1	359419773.7	208087110.3	529685560.9	287925581.5	4987904922	5839852888	6433231013	3165246018	5218785340	1771093742	2700827327	1373753662	872909146.7	996027691.6	1697618513	844022405
Glutamine_1	38838601.21	28114303.36	18650695.3	21530624.63	25501273.2	51508579.07	263163116.5	312193762.1	435656533.1	261476178.2	273906339.3	220120429.2	140829434.8	76595250.73	62167391.62	143976075.1	89185998.52	166532193.6
Glutamine_2			643696.4654	13610513.94		56571655.92	3351951.996	7489920.643	154959335.1	236608327.5	4222012.841	445115518.2	691454.1049	667528.3331	27740396.25	237955745.5	3378605.754	268417154.5
Glutamine_3				6504398.652		50534701.92			39324522.73	302406819.9		980293501.7			2829475.415	143408223.8	988792.0375	290495720.9
Glutamine_4				2964345.669		33947445.42			20441582.84	444095581.6		1525062361				137082024.7		281325416.1
Glutamine_5				2462850.423		34793200.51			18304145.39	453186836		1313434217				157698951.3	158105.6188	218845294.1
Glyceraldehyde 3-phosphate_0	12655963.14	3678144.735	1162558.553	223009.5753	21919793.84	430193.4658	22105518.42	6838616.159	5148243.898	177356.2691	6554783.376	486107.2649	15191284.91	13157287.52	2310096.26	8282188.072	81709753.8	1691426.45
Glyceraldehyde 3-phosphate_1	65325.70932	1127832.854	1183594.319	116261.5885	1474935.389	250099.7271		2470399.429	2122697.19		1350788.198	1130220.392		3937655.095	1595401.916	2832545.721	11854791.1	2482189.541
Glyceraldehyde 3-phosphate_2		46232.90661	361839.3604	568979.0913		679271.2076		1070067.275	5702570.221	1347301.502	134108.4392	4518726.613		1206681.77	2523959.367	8095845.061	341437.8301	9072533.325
Glyceraldehyde 3-phosphate_3			773507.696	949097.5085		2201804.863		132390.8026	7898935.764	4455092.023		8103808.781		590566.7755	6966822.557	14416426.56		16327500.84
Glycine_1	46940.29523		123554.9035	731822.9772		1658682.029		1300148.895	7801887.437	4639430.822	404651.7821	7224184.372	92693.37527	495300.4397	973653.2461	1564301.034		3588604.261
Glycine_2			132783.2378	2285191.006		6858480.565			14389302.29	12055145.4		15837987.57			2520736.901	6630154.072		11139143.52
Isoleucine_0	41921668.82	25002974.45	23066644.67	22723409.24	25889881.64	45891611.15	55614296.96	53171383.28	36804267.05	24245365.61	42253525.42	30411124.7	47925360.61	41651670.4	58043946.04	33012327.97	49695952.27	58971365.54
Isoleucine_2			990595.1929	1196578.098		2314123.532		4746291.198	26149660.05	7647801.996		8639224.394			3500741.403	8594456.355		5221879.925
Isoleucine_3				131084.5863		156874.7329			4389070.75	4697549.244		8136827.112				1980193.75		1094892.375
Isoleucine_4				9625.614204		102373.0083			2925827.327	10230119.97		19445605.48				2818709.022		2031638.869
Isoleucine_5				12761.96639		120955.691			2758606.102	17701754.21		30247494.03				3311156.01		2362552.553
Isoleucine_6						101650.1407			1787001.653	16100199.47		21049295.59				4162301.511		1253105.637
Lactate_0	2862061765	2066905050	2242808384	1455807926	2080039130	2935793509	2237604794	2448427865	2667455696	1773815192	2059331264	2117377908	4030976554	2379171919	3026480770	3101882591	2705221955	4936592170
Lactate_1	90723378.39	64228927.67	76105629.55	54442354.46	66288948.5	128351224.8	63533535.14	81816318.36	97245753.79	83979723.66	65588424.44	152393915.3	133030231.5	74672419.03	118518737.2	138539609.7	86609755.77	339435435.7
Lactate_2				5439577.216		47984300.39			18500616.31	66808285.19		261659133.2			11434191.48	48929942.11		436629488
Lactate_3				11180983.52		85051455.43			16541611.91	111423533.8		368652039.8			8598570.897	108944437.4		592997490.2
Lysine_0	123095169.7	80861767.15	74035964.02	61338326.68	83640218.53	111978522.9	436404623.6	487641517.2	509622131.2	278563648.1	438761824.3	185045282.6	313500385.6	209852693.7	277863276.3	188465813	216517484.3	259500678.2
Lysine_1	8387856.798	5061262.782	4749942.535	4275527.57	5256155.755	7243021.203	29037206.69	39449740.16	51749082.8	23342420.45	33684237.98	15577420.35	19209904.69	15303820.81	18706211.59	15698526.79	14281465.44	19940160.52
Lysine_2	57511.62926		105440.7714	437498.7272	86373.51325	655740.6209		3428598.094	25036456.72	12270415.32	1320666.604	12796831.27	161567.9449	548011.5613	2165122.741	8491680.22	274328.7327	9489999.366
Lysine_3				473402.4922		1192183.161		203635.8287	17871005.81	17217850.01		33066251.42			1060491.223	9276413.336		12937741.27
Lysine_4				161133.8272		942444.8677			7433644.602	27966192.58		75387460.67				7727155.471		16143412.83
Lysine_5				54475.45044		684106.9426			6919021.366	42357128.06		110908026				10048648.18		19601329.44
Lysine_6				54236.49027		842801.3077			4572944.848	39019240.89		90009285.23				13521867		15318116.4
malate_0	3270063976	2381410018	1356366650	455206198.2	2795092373	358079682.9	9269372518	6273327825	3041017392	302105858	6344378928	270469402.8	5752659889	3218330049	2353897560	869582092	5237878868	1520769728
malate_1	145873793.6	240940538.2	487722010.5	601486104.7	235129030	753672330.6	413993123.3	987508985.2	950315218.6	363499800.1	626578382.2	448086729.7	259865523.2	328207391.2	526913449.8	391170626.1	409160551.5	826648190.1
malate_2	2883741.595	25107914.1	93531606.01	227251894.9	15314535.92	599523992.7	3698784.288	413109185.5	797976452.2	1088985915	86555227.41	1713403925	4998683.9	50456781.84	198623051.4	582858165.6	26020485.39	1579142168
malate_3	2101663.811	5631800.084	61667044.22	270265083.3	2696214.168	814096035.9	581887.6822	199868355.5	1316873112	3044011049	24409174.66	4183478678	1467653.546	28663969.94	271648468.8	1084100109	6170119.898	2765573616
malate_4	2570698.385	2161939.713	40918575.25	370579582.9	1770168.525	1252204092	1454620.054	58452546.27	1379960098	3992537781	8479106.318	4533946493	3254317.088	11041674.66	197282880.1	1556964869	1293436.204	2722186088
Methionine_0	37975603.04	27016705.02	25360953.65	20892735.4	25135497.47	33106052.46	14158616.94	16640585.18	10152217.86	5233777.857	14612034.32	4512261.74	15704869.99	12691398.47	20374119	8258492.254	12065743.67	14208130.42
Methionine_1	1865276.726	1349230.981	1304993.258	2773969.092	1309588.188	8272870.734	842986.8921	998725.1405	5449512.505	2971319.194	592942.3571	2538868.592	770731.9998	658187.3126	1604582.198	2713199.479	496915.3301	5986700.893
Methionine_2				232037.7891		1253626.907			510534.214	705829.8163		1280738.691				459155.9649		665668.15
Methionine_3				74577.97444		916783.0678			167188.2486	2197060.581		3816466.159				653887.7101		1286358.722
Methionine_4				138066.7037	69683.19779	1316379.293			224632.4161	4118147.795	217799.9417	7473903.763			71081.61434	1004348.298		1393260.486
Methionine_5						379405.7852				3926113.356		5780362.884				666913.8123		607281.5266
PEP_0	149402598.7	103483806	26532539.04	7824145.781	161217202.8	12453139.3	1744044595	268959263.4	94583668.4	33260822.45	489561403.1	23853735.3	1320562727	203289381.9	142825164.5	91898152.05	486958308.6	177284091.9
PEP_1	5395957.172	76860513.86	57293166.38	14673513.3	50528794.73	45453428.75	37768628.67	435764844.8	107311937.3	48263813.85	610952958.3	59427371.02	46652332.77	189270788.9	156256011.2	53917167.26	235399614	538343264.6
PEP_2	2459247.277	12989920.76	46581075.12	30624074.54	5026969.228	93405623.84	2520202.285	261266063	507235725.1	166381811.4	153344566.7	161777184.4	5647157.843	64913165.36	230616354	129741071.5	32431839.81	1543874457
PEP_3	294144.2995	5173153.111	62655523.75	66473983.9	1367728.382	196212514.7	1422693.239	171977432.9	768023144	295086305.5	62168154.16	235141761	2966238.633	54847031.26	492137154.1	322293065.3	10102053.47	2219194796
phenylalanine_0	103408476.9	75296412.1	61813468.47	37592780.27	67334078.86	35136151.34	217573905.5	147436224.3	59001260.55	20970202.36	167350618.3	20625937.77	121505270.8	73126185.88	222954771.4	24214034.79	93411444.42	65854215.19
phenylalanine_1	9873559.003	7233451.315	6835878.545	3996982.159	6332884.642	3843025.9	20883144.46	31229889.78	6959482.901	1839703.595	31159840.23	763768.0528	11627222.1	10000882.78	22592075.2	1054284.832	10042661.33	1245424.073
phenylalanine_2	311268.2978	316443.374	972118.3751	710167.2121	224970.9783	1077035.337	748032.711	17037919.43	3625775.604	601715.8329	11114592.75	1055235.178	341689.7522	2106060.568	2863704.753	366276.6514	742150.6202	1514076.661
phenylalanine_3			869528.7157	910744.4018		1792213.124		13762104.86	6146361.04	1396446.63	4679530.469	2705129.037		1045288.857	2921165.826	1083899.892		3924066.24
phenylalanine_4			795601.2954	1330731.829		3419026.662		9631770.77	11375824.79	4398280.968	2062808.808	7615400.46		553398.8704	3439608.217	1702215.598		11820511.71
phenylalanine_5			661881.1197	2040219.498		6574580.546		5439028.501	21351159.46	11777418.97	505118.3188	19613473.02		111352.8104	4263472.98	3492918.206		29188999.21
phenylalanine_6			505462.8686	2939702.902		10338041.16		2447546.641	35810271.91	29544779.26		42406056.13			4690993.106	6955580.414		61251374.97
phenylalanine_7			363189.3569	3963012.477		15364463.64		1079227.812	49400071.42	53820036.04		71362511.51			4857849.42	12430841.39		94463795.39
phenylalanine_8	631277.2023	482245.8399	315224.1827	3932089.538	373899.2511	17149984	977502.5609	1858294.276	47247629.89	65825055.79	1271719.013	73670836.18	1161122.477	944499.3973	4428305.885	16876569.02	657347.7547	95069257.6
phenylalanine_9	79670.12772			2583166.867		12804677.29		180491.7153	23604375.6	38635706.84	220861.0793	35727112.52		113752.2002	2237553.295	15278958.12		46814718.03
Proline_0	43995347.06	30872850.38	31469163.93	30318302.61	32064529.42	52112435.24	124914984.8	155805686	209326909	119050210	138807775.2	82053985.88	147731952.6	134034543.4	94152750.4	57836478.24	93083548.93	141732062.6
Proline_1	2053863.966	1522013.67	1541413.914	1493822.143	1551014.279	2819781.883	6250781.186	7139036.462	12569324.65	9471965.748	6837050.876	8215136.074	7360213.43	6458131.014	4524755.055	4118208.814	4411674.061	10348852.11
Proline_2				39181.99979		190151.569			2645993.11	7564635.604		14748930.52			129666.8036	2616436.842		6299017.107
Proline_3						74592.45858			396635.1587	8567326.952		33863804.82				1266303.025		6177055.435
Proline_4										12488507.97		56306736.96				1341556.571		6245818.908
Proline_5										13743818.35		49564861.29				1481186.584		4283516.259
pyruvate_0	163920210.6	30927038.18	16564557.8	10005911.84	60151046.54	16675620.84	95691538.4	56757264.24	26749691.09	26506249.49	47303453.54	28372681.06	175988396.6	80138651.38	33490100.72	27124605.17	120828097	23408251.83
pyruvate_1	5296059.74	14121199.42	10507073.13	6020033.863	12603268.8	12310098.75	2467255.331	34453201.21	7721228.175	7886277.69	27142984.84	12875395.91	5114462.026	43641141.76	14519328.39	9483831.863	32698920.3	13145514.09
pyruvate_2		2025278.943	7396399.107	9399483.211	933915.8735	21290120.95		18262000.26	19338107.42	30649118.42	6780848.389	39471734.59		14556901.35	20366493.74	22808422.22	3470288.6	37728775.66
pyruvate_3		721965.8235	10707265.52	22542807.62		47738350.92		13240957.69	32976348.66	59865273.06	2767941.859	61370960.01		12581117.08	48189400.12	64365741.28	1145006.08	57164109.19
Sedoheptulose 7-phosphate_0	333404894.5	47155418.49	5584169.85	2727804.975	154229189.3	4613864.492	500119936.7	57176739.15	30305326.77	10131829.72	121509378.3	9538572.143	273436850.9	144146009.4	11441292.15	19403236.98	170994047.3	22344860.6
Sedoheptulose 7-phosphate_1	30256553.36	41513861.85	8578139.7	1577017.618	41704647.56	3976893.502	36224309.47	81700565.43	7325252.537	2397800.899	143270515.9	3766573.415	23415581.83	94396157.18	6079932.347	13450685.29	79706591.6	6857884.566
Sedoheptulose 7-phosphate_2		21482854.5	15401122.76	3669121.343	11516480.49	8846640.662	160956.0952	148288575.1	19896555.75	7185499.066	103403851.3	13395142.42		67128798.06	12679431.2	21836177.33	31339228.71	24386236.19
Sedoheptulose 7-phosphate_3		13294323.49	23211527.51	7887589.706	2758850.344	19633831.86		155982520	35978185.63	17406229.76	60648605.44	37448485.22		49951642.4	26234923.63	24557803.24	14765959.98	72908080.7
Sedoheptulose 7-phosphate_4	524012.209	4045349.792	27425017.7	12118700.55	379471.7358	25116134.54	2368467.288	110741442.9	78055114.98	41658875.04	28012041.81	77797104.86	1955268.287	27140825.26	40141927.19	40500225.42	3695386.139	163560674.9
Sedoheptulose 7-phosphate_5	165814.7789	1108260.661	27215476.08	17959006.5		45776251.45	192949.011	68743066.48	124391981.1	74094273.26	9229329.926	137795283.9		16865748.08	63771374.29	55433831.59	605488.4421	319651231.2
Sedoheptulose 7-phosphate_6			13945312.72	24147507.28		53057921.14		29192592.78	168996915.5	115256556.7	763080.3861	176865173.7		6082377.527	57297589.09	69537518.59		388051952.2
Sedoheptulose 7-phosphate_7			10340892.59	23781338.16		47297937.6	547349.8753	5410381.591	98738873.46	87698619.28	709694.146	115530519.3	173743.1261	2239234.243	64044141.08	78818870.91	198833.0905	235938559.3
Serine_0	98412422.01	61133045.83	63108659.14	30584459.43	67721836.96	43777996.13	211450963.8	121622057.1	36683344.11	22233594.64	177591899.1	39331406.68	215855685.7	138589596.2	105361837.6	33774797.95	209348896.9	49560001.13
Serine_1	2834825.454	2762573.692	6855856.478	15549429.26	2295275.701	37137983.6	6343818.436	19845478.42	20643033.14	14484501.39	11172478.87	23555145.85	6608718.722	11346276.44	23645784.25	22172311.09	9815488.082	46862087.67
Serine_2			3487705.883	19464926		49557983.16		7185972.077	44796425.93	47570344.6	965697.0852	77920594.88		2379787.174	23155856.94	36774119.25	125547.0768	81423127.9
Serine_3			737188.7603	14892341.08		44439419.99		2627488.076	67453533.36	83802605.09		112357545.3		911692.6471	8344876.606	57111408.82		88267839.26
succinate_0	675272493.5	100105456.4	82297348.19	54210092.64	198019918.3	61829894.56	587608630.3	374890097.1	523878936	287283699.3	264506840.8	184812839.4	707939629.3	388490986.9	236037179.5	285074588.2	640306580.4	227819483.2
succinate_1	29204298.17	4721515.897	4081653.97	4917904.77	9048819.616	10360624.54	25452083.18	17874247.35	40994921.3	34751666.94	12080381.67	43499496.15	31466793.74	22970806.63	17255071.25	57544173.26	33682104.56	58439383.55
succinate_2	104943.0952		429258.5885	4832991.768	81171.92442	18997870.4		1536024.635	28879181.33	69492696.67	145679.5394	117035044.8	436357.4812	4060310.691	10235565.11	136664548.5	1727209.725	108422948.8
succinate_3				866148.4607		7305312.449			5583955.6	81825598.21		205922327.7		112378.9645	616128.0889	72055515.04		93386624.51
succinate_4				724131.4468		9362144.968			4863232.452	108376119.9		222579199.1				106005213.4		82905838.18
Threonine_0	77110480.68	60327445.31	60890786.16	40657571.35	61236713.12	60687639.12	179089699.7	145455088.2	134529920.4	27602833.59	155515311.3	25865004.56	133566015.4	96938378.51	112587113.2	57872804.28	121709621.6	110080347.3
Threonine_1	3257946.726	2709340.872	2534588.205	5381659.245	2234928.225	11613416.41	6643454.567	7137968.272	16382173.02	5717295.794	6586864.098	6702757.72	5256716.742	3801252.052	5290503.01	7457547.201	4512446.515	11842613.05
Threonine_2				1064545.139		5158196.259		164274.6512	8092339.921	12838704.15		23973572.85			143043.7864	6977900.103		15181566.49
Threonine_3				900177.8819		6527033.306			12265549.87	40375099.7		68723382.61				13039429.94		27864502.2
Threonine_4				1299562.463		10523494.09			12590198.45	60548075.38		81421560.66			72823.99445	25770588.03		30172711.06
Tryptophan_0	98799799.44	67833814.51	57658541.93	65463257.07	82551096.3	138183208.8	42827607.64	40651421.37	44181918.43	25754929.23	34349606.86	16950822.21	22230336.8	18406609	31762633.89	15478911.61	21771604.04	25681219.83
Tryptophan_10									2100504.351	4849055.295		7867092.185				1034453.487		
Tryptophan_11									525835.0715	2208202.917	192484.3336	2410959.084				237448.3119		
Tryptophan_1	11359841.68	7910592.091	6585907.551	7444363.402	9772537.024	16337792.4	4194872.787	5061536.681	4873520.959	2648756.008	4351713.242	1223102.711	1967013.16	2108520.32	2514704.144	1365045.027	2155074.162	2833115.72
Tryptophan_2	406968.4526	350547.0342	165424.9442	399698.2159	236830.6008	829577.8159		654152.9903										
Tryptophan_5						69532.38537						645354.9675						
Tryptophan_6									1868452.338	1366704.023		2196887.803						
Tryptophan_7									2028517.774	2518851.232		4429241.092						
Tryptophan_8			121338.4914			304701.1575			3329552.322	4153446.715		6956166.106	110108.1874	158389.9036	216710.868	789841.761		598959.8325
Tryptophan_9									2803420.467	5986138.067		9885922.063				652681.2404		
Tyrosine_0	46227416.71	34473809	31337831.44	27909740.95	34817861.56	61313031.76	93482738.24	99177381.41	94837154.81	64261592.97	80445104.88	56092702.21	39484239.15	44435460.48	58550585.22	27463528.89	48404993.52	50783761.84
Tyrosine_1	4062417.432	3226596.127	2852280.665	2440246.284	3092086.74	5308228.676	7572868.603	12200734.99	8563006.168	5986346.057	8959796.759	5263319.197	3367386.806	3960924.648	5521733.713	2341795.332	4320359.487	4852827.951
Tyrosine_2	124623.414	43427.03387		80320.48594		175220.6141		3905981.849	1065487.081	277637.2891	1611566.512	380076.0537	22983.50211	337695.2422	267914.3609	167586.1776	139625.089	197665.5044
Tyrosine_3								2135764.682	864993.0867	290354.4081	516597.5849	836050.439		125734.0584	17142.77204	44450.86691		42956.11353
Tyrosine_4								1635301.552	2242169.187	1042060.934		2511949.886				285292.3748		557250.2885
Tyrosine_5						59935.69479		375808.6109	3819377.617	2274314.108		6139035.462				303445.9731		731062.5157
Tyrosine_6						157049.2181		178711.3989	7733231.434	6227347.347		13716778.95				1067047.019		2254202.074
Tyrosine_7				29138.20529		272558.4757			10053718.59	11618752.11		23041900.74				2105836.256		3353777.507
Tyrosine_8				76825.6935		379031.8881	175927.9866	318191.0978	10736618.28	15199869.05	166801.389	23682251.82				3125190.021		3725390.003
Tyrosine_9						255334.2855			4600842.532	8312657.731		10716603.37				2280510.443		1524824.112
Valine_0	59004799.49	37065657.64	34745353.57	27870641.09	41277873.03	54770855.63	170342611.8	156380922.4	70245181.4	30181645.44	179678033.7	37709417.69	90876691.42	69644641.2	67059208.08	41177168.01	85619373.47	76210142.42
Valine_1	2897304.605	1796880.902	2294369.424	1826118.657	2345057.168	3221060.645	7675523.558	22194751.6	7725317.198	2037472.623	15364859.89	3835860.776	4231799.358	5720884.564	3788121.71	2395935.658	5852151.002	4488795.946
Valine_2			482432.3313	721301.2623		991674.644		5579155.587	13349998.14	5152780.506	1544527.598	11166003.31		869273.2474	927695.6288	2663922.734	127036.9021	2706908.974
Valine_3			418206.7515	1327968.852		2097886.413		3071757.946	23395505.71	18125905.79	198484.1633	41973421.03		244737.753	1521828.511	5456504.147		5941824.388
Valine_4			60769.99169	1245542.53		2363178.823		238368.1835	29368479.01	48231723.92		88591469.33			1158607.831	11761853.96		8496146.509
Valine_5			28087.98688	1595947.744		2951979.412			25830254.65	51204915.03		72833726.52			1507008.912	18160818.28		7658418.067
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Compound	13 C label status
2-phosphoglyceric acid_0	2-phosphoglyceric acid	0
2-phosphoglyceric acid_1	2-phosphoglyceric acid	1
2-phosphoglyceric acid_2	2-phosphoglyceric acid	2
2-phosphoglyceric acid_3	2-phosphoglyceric acid	3
3-phosphoglyceric acid_0	3-phosphoglyceric acid	0
3-phosphoglyceric acid_1	3-phosphoglyceric acid	1
3-phosphoglyceric acid_2	3-phosphoglyceric acid	2
3-phosphoglyceric acid_3	3-phosphoglyceric acid	3
Alpha-ketoglutarate_0	Alpha-ketoglutarate	0
Alpha-ketoglutarate_1	Alpha-ketoglutarate	1
Alpha-ketoglutarate_2	Alpha-ketoglutarate	2
Alpha-ketoglutarate_3	Alpha-ketoglutarate	3
Alpha-ketoglutarate_4	Alpha-ketoglutarate	4
Alpha-ketoglutarate_5	Alpha-ketoglutarate	5
Arginine_0	Arginine	0
Arginine_1	Arginine	1
Arginine_2	Arginine	2
Arginine_3	Arginine	3
Arginine_4	Arginine	4
Arginine_5	Arginine	5
Arginine_6	Arginine	6
Asparagine_0	Asparagine	0
Asparagine_1	Asparagine	1
Asparagine_2	Asparagine	2
Asparagine_3	Asparagine	3
Asparagine_4	Asparagine	4
Aspartic acid_0	Aspartic acid	0
Aspartic acid_1	Aspartic acid	1
Aspartic acid_2	Aspartic acid	2
Aspartic acid_3	Aspartic acid	3
Aspartic acid_4	Aspartic acid	4
Citrate/Isocitrate_0	Citrate/Isocitrate	0
Citrate/Isocitrate_1	Citrate/Isocitrate	1
Citrate/Isocitrate_2	Citrate/Isocitrate	2
Citrate/Isocitrate_3	Citrate/Isocitrate	3
Citrate/Isocitrate_4	Citrate/Isocitrate	4
Citrate/Isocitrate_5	Citrate/Isocitrate	5
Citrate/Isocitrate_6	Citrate/Isocitrate	6
Cysteine_0	Cysteine	0
Cysteine_1	Cysteine	1
Cysteine_2	Cysteine	2
Cysteine_3	Cysteine	3
DHAP_0	DHAP	0
DHAP_1	DHAP	1
DHAP_2	DHAP	2
DHAP_3	DHAP	3
Erythrose 4-phosphate_0	Erythrose 4-phosphate	0
Erythrose 4-phosphate_1	Erythrose 4-phosphate	1
Erythrose 4-phosphate_2	Erythrose 4-phosphate	2
Erythrose 4-phosphate_3	Erythrose 4-phosphate	3
Erythrose 4-phosphate_4	Erythrose 4-phosphate	4
Fructose-6-phosphate_0	Fructose-6-phosphate	0
Fructose-6-phosphate_1	Fructose-6-phosphate	1
Fructose-6-phosphate_2	Fructose-6-phosphate	2
Fructose-6-phosphate_3	Fructose-6-phosphate	3
Fructose-6-phosphate_4	Fructose-6-phosphate	4
Fructose-6-phosphate_5	Fructose-6-phosphate	5
Fructose-6-phosphate_6	Fructose-6-phosphate	6
fumarate_0	fumarate	0
fumarate_1	fumarate	1
fumarate_2	fumarate	2
fumarate_3	fumarate	3
fumarate_4	fumarate	4
glucose-6-phosphate_0	glucose-6-phosphate	0
glucose-6-phosphate_1	glucose-6-phosphate	1
glucose-6-phosphate_2	glucose-6-phosphate	2
glucose-6-phosphate_3	glucose-6-phosphate	3
glucose-6-phosphate_4	glucose-6-phosphate	4
glucose-6-phosphate_5	glucose-6-phosphate	5
glucose-6-phosphate_6	glucose-6-phosphate	6
Glutamic acid_0	Glutamic acid	0
Glutamic acid_1	Glutamic acid	1
Glutamic acid_2	Glutamic acid	2
Glutamic acid_3	Glutamic acid	3
Glutamic acid_4	Glutamic acid	4
Glutamic acid_5	Glutamic acid	5
Glutamine_0	Glutamine	0
Glutamine_1	Glutamine	1
Glutamine_2	Glutamine	2
Glutamine_3	Glutamine	3
Glutamine_4	Glutamine	4
Glutamine_5	Glutamine	5
Glyceraldehyde 3-phosphate_0	Glyceraldehyde 3-phosphate	0
Glyceraldehyde 3-phosphate_1	Glyceraldehyde 3-phosphate	1
Glyceraldehyde 3-phosphate_2	Glyceraldehyde 3-phosphate	2
Glyceraldehyde 3-phosphate_3	Glyceraldehyde 3-phosphate	3
Glycine_1	Glycine	1
Glycine_2	Glycine	2
Isoleucine_0	Isoleucine	0
Isoleucine_2	Isoleucine	2
Isoleucine_3	Isoleucine	3
Isoleucine_4	Isoleucine	4
Isoleucine_5	Isoleucine	5
Isoleucine_6	Isoleucine	6
Lactate_0	Lactate	0
Lactate_1	Lactate	1
Lactate_2	Lactate	2
Lactate_3	Lactate	3
Lysine_0	Lysine	0
Lysine_1	Lysine	1
Lysine_2	Lysine	2
Lysine_3	Lysine	3
Lysine_4	Lysine	4
Lysine_5	Lysine	5
Lysine_6	Lysine	6
malate_0	malate	0
malate_1	malate	1
malate_2	malate	2
malate_3	malate	3
malate_4	malate	4
Methionine_0	Methionine	0
Methionine_1	Methionine	1
Methionine_2	Methionine	2
Methionine_3	Methionine	3
Methionine_4	Methionine	4
Methionine_5	Methionine	5
PEP_0	PEP	0
PEP_1	PEP	1
PEP_2	PEP	2
PEP_3	PEP	3
phenylalanine_0	phenylalanine	0
phenylalanine_1	phenylalanine	1
phenylalanine_2	phenylalanine	2
phenylalanine_3	phenylalanine	3
phenylalanine_4	phenylalanine	4
phenylalanine_5	phenylalanine	5
phenylalanine_6	phenylalanine	6
phenylalanine_7	phenylalanine	7
phenylalanine_8	phenylalanine	8
phenylalanine_9	phenylalanine	9
Proline_0	Proline	0
Proline_1	Proline	1
Proline_2	Proline	2
Proline_3	Proline	3
Proline_4	Proline	4
Proline_5	Proline	5
pyruvate_0	pyruvate	0
pyruvate_1	pyruvate	1
pyruvate_2	pyruvate	2
pyruvate_3	pyruvate	3
Sedoheptulose 7-phosphate_0	Sedoheptulose 7-phosphate	0
Sedoheptulose 7-phosphate_1	Sedoheptulose 7-phosphate	1
Sedoheptulose 7-phosphate_2	Sedoheptulose 7-phosphate	2
Sedoheptulose 7-phosphate_3	Sedoheptulose 7-phosphate	3
Sedoheptulose 7-phosphate_4	Sedoheptulose 7-phosphate	4
Sedoheptulose 7-phosphate_5	Sedoheptulose 7-phosphate	5
Sedoheptulose 7-phosphate_6	Sedoheptulose 7-phosphate	6
Sedoheptulose 7-phosphate_7	Sedoheptulose 7-phosphate	7
Serine_0	Serine	0
Serine_1	Serine	1
Serine_2	Serine	2
Serine_3	Serine	3
succinate_0	succinate	0
succinate_1	succinate	1
succinate_2	succinate	2
succinate_3	succinate	3
succinate_4	succinate	4
Threonine_0	Threonine	0
Threonine_1	Threonine	1
Threonine_2	Threonine	2
Threonine_3	Threonine	3
Threonine_4	Threonine	4
Tryptophan_0	Tryptophan	0
Tryptophan_10	Tryptophan	10
Tryptophan_11	Tryptophan	11
Tryptophan_1	Tryptophan	1
Tryptophan_2	Tryptophan	2
Tryptophan_5	Tryptophan	5
Tryptophan_6	Tryptophan	6
Tryptophan_7	Tryptophan	7
Tryptophan_8	Tryptophan	8
Tryptophan_9	Tryptophan	9
Tyrosine_0	Tyrosine	0
Tyrosine_1	Tyrosine	1
Tyrosine_2	Tyrosine	2
Tyrosine_3	Tyrosine	3
Tyrosine_4	Tyrosine	4
Tyrosine_5	Tyrosine	5
Tyrosine_6	Tyrosine	6
Tyrosine_7	Tyrosine	7
Tyrosine_8	Tyrosine	8
Tyrosine_9	Tyrosine	9
Valine_0	Valine	0
Valine_1	Valine	1
Valine_2	Valine	2
Valine_3	Valine	3
Valine_4	Valine	4
Valine_5	Valine	5
METABOLITES_END
#END