#METABOLOMICS WORKBENCH bur27_20230223_182126 DATATRACK_ID:3763 STUDY_ID:ST002499 ANALYSIS_ID:AN004106 PROJECT_ID:PR001272
VERSION             	1
CREATED_ON             	March 2, 2023, 3:25 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolic profiles of murine stress erythroid progenitors
PR:PROJECT_SUMMARY               	Inflammation alters hematopoiesis, skewing production to generate myeloid
PR:PROJECT_SUMMARY               	effector cells at the expense of steady state erythropoiesis. To compensate,
PR:PROJECT_SUMMARY               	stress erythropoiesis is induced to maintain homeostasis until the inflammation
PR:PROJECT_SUMMARY               	is resolved. Unlike the constant production of steady state erythropoiesis,
PR:PROJECT_SUMMARY               	stress erythropoiesis generates a bolus of new erythrocytes by first producing
PR:PROJECT_SUMMARY               	immature progenitor cells, which then transition to committed erythroid
PR:PROJECT_SUMMARY               	progenitors and differentiate. We hypothesize that the proliferation of early
PR:PROJECT_SUMMARY               	progenitor cells and their transition to differentiation is regulated by changes
PR:PROJECT_SUMMARY               	in metabolism. Metabolomics and isotope tracing analysis was performed to assess
PR:PROJECT_SUMMARY               	the intracellular metabolic profiles in proliferating progenitors isolated from
PR:PROJECT_SUMMARY               	in vitro stress erythropoiesis cultures. We observed an active engagement of
PR:PROJECT_SUMMARY               	glucose metabolism in glycolysis and anabolic biosynthesis, while the levels of
PR:PROJECT_SUMMARY               	TCA intermediates suggested that TCA cycle and mitochondrial respiration were
PR:PROJECT_SUMMARY               	blocked. Concomitantly, inducible nitric oxide synthase (iNOS) was induced in
PR:PROJECT_SUMMARY               	progenitor cells to increase the production of nitric oxide (NO), which was
PR:PROJECT_SUMMARY               	demonstrated to be crucial for proliferating progenitor metabolism. Inhibition
PR:PROJECT_SUMMARY               	or genetic mutation of iNOS decreased NO levels resulting in the suppression of
PR:PROJECT_SUMMARY               	progenitor proliferation in vitro and in vivo. As evaluated by RNA-seq,
PR:PROJECT_SUMMARY               	inhibition of iNOS suppressed cell proliferation-related pathways including cell
PR:PROJECT_SUMMARY               	cycle and nucleotide metabolism, while upregulating erythroid differentiation
PR:PROJECT_SUMMARY               	genes. These data suggest that iNOS-derived NO production establishes a
PR:PROJECT_SUMMARY               	metabolism that promotes the proliferation of progenitor cells while inhibiting
PR:PROJECT_SUMMARY               	their differentiation. In contrast, the transition to differentiation is marked
PR:PROJECT_SUMMARY               	by decreased Nos2 expression and a change in metabolism to support induction of
PR:PROJECT_SUMMARY               	the erythroid gene expression program. These data support a model where
PR:PROJECT_SUMMARY               	increased pro-inflammatory signals inhibit steady state erythropoiesis, while at
PR:PROJECT_SUMMARY               	the same time promoting stress erythropoiesis to maintain homeostasis.
PR:INSTITUTE                     	Pennsylvania State University
PR:DEPARTMENT                    	Veterinary and Biomedical Sciences
PR:LABORATORY                    	Paulson Lab
PR:LAST_NAME                     	Ruan
PR:FIRST_NAME                    	Baiye
PR:ADDRESS                       	228 AVBS Building, Shortlidge Road, University Park, PA 16802
PR:EMAIL                         	bur27@psu.edu
PR:PHONE                         	814-863-6306
#STUDY
ST:STUDY_TITLE                   	Metabolomics analysis of stress erythroid progenitors
ST:STUDY_SUMMARY                 	A time course study to assess the intracellular metabolic changes of splenic
ST:STUDY_SUMMARY                 	Kit+ stress erythroid progenitors
ST:INSTITUTE                     	Pennsylvania State University
ST:DEPARTMENT                    	Veterinary and Biomedical Sciences
ST:LABORATORY                    	Paulson Lab
ST:LAST_NAME                     	Ruan
ST:FIRST_NAME                    	Baiye
ST:ADDRESS                       	228 AVBS Building Shortlidge Road University Park, PA 16802
ST:EMAIL                         	bur27@psu.edu
ST:PHONE                         	814-863-6306
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#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           	-	0-1	Time_point(days):0	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=untreated; RAW_FILE_NAME=0-1.mzML
SUBJECT_SAMPLE_FACTORS           	-	0-2	Time_point(days):0	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=untreated; RAW_FILE_NAME=0-2.mzML
SUBJECT_SAMPLE_FACTORS           	-	0-3	Time_point(days):0	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=untreated; RAW_FILE_NAME=0-3.mzML
SUBJECT_SAMPLE_FACTORS           	-	0-4	Time_point(days):0	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=untreated; RAW_FILE_NAME=0-4.mzML
SUBJECT_SAMPLE_FACTORS           	-	0-5	Time_point(days):0	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=untreated; RAW_FILE_NAME=0-5.mzML
SUBJECT_SAMPLE_FACTORS           	-	1-1	Time_point(days):1	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=PHZ; RAW_FILE_NAME=1-1.mzML
SUBJECT_SAMPLE_FACTORS           	-	1-2	Time_point(days):1	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=PHZ; RAW_FILE_NAME=1-2.mzML
SUBJECT_SAMPLE_FACTORS           	-	1-3	Time_point(days):1	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=PHZ; RAW_FILE_NAME=1-3.mzML
SUBJECT_SAMPLE_FACTORS           	-	1-4	Time_point(days):1	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=PHZ; RAW_FILE_NAME=1-4.mzML
SUBJECT_SAMPLE_FACTORS           	-	1-5	Time_point(days):1	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=PHZ; RAW_FILE_NAME=1-5.mzML
SUBJECT_SAMPLE_FACTORS           	-	3-1	Time_point(days):3	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=PHZ; RAW_FILE_NAME=3-1.mzML
SUBJECT_SAMPLE_FACTORS           	-	3-2	Time_point(days):3	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=PHZ; RAW_FILE_NAME=3-2.mzML
SUBJECT_SAMPLE_FACTORS           	-	3-3	Time_point(days):3	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=PHZ; RAW_FILE_NAME=3-3.mzML
SUBJECT_SAMPLE_FACTORS           	-	3-4	Time_point(days):3	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=PHZ; RAW_FILE_NAME=3-4.mzML
SUBJECT_SAMPLE_FACTORS           	-	3-5	Time_point(days):3	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=PHZ; RAW_FILE_NAME=3-5.mzML
SUBJECT_SAMPLE_FACTORS           	-	8-1	Time_point(days):8	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=HKBA; RAW_FILE_NAME=8-1.mzML
SUBJECT_SAMPLE_FACTORS           	-	8-2	Time_point(days):8	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=HKBA; RAW_FILE_NAME=8-2.mzML
SUBJECT_SAMPLE_FACTORS           	-	8-3	Time_point(days):8	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=HKBA; RAW_FILE_NAME=8-3.mzML
SUBJECT_SAMPLE_FACTORS           	-	8-4	Time_point(days):8	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=HKBA; RAW_FILE_NAME=8-4.mzML
SUBJECT_SAMPLE_FACTORS           	-	8-5	Time_point(days):8	Cell_type=Kit+ stress progenitors; Organism=Mus musculus; Mouse_strain=wild type C57BL/6; Treatment=HKBA; RAW_FILE_NAME=8-5.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Murine spleens were harvested and disassociated to single cell suspension at a
CO:COLLECTION_SUMMARY            	concentration of 1 x 10^8 cells/mL. Labeling reagent was added at a concentation
CO:COLLECTION_SUMMARY            	of 50 μL/mL of sample. Cells were mixed and incubated at RT for 15 mins.
CO:COLLECTION_SUMMARY            	Selection cocktail was added to sample at a 70 μL/mL of sample. Cells were
CO:COLLECTION_SUMMARY            	mixed and incubated at RT for 15 mins. RapidSpheres were added to sample at a 50
CO:COLLECTION_SUMMARY            	μL/mL of sample. Cells were mixed and incubated at RT for 10 mins. Cells were
CO:COLLECTION_SUMMARY            	washed with FACS buffer for 4 times, and were resuspended for downstream
CO:COLLECTION_SUMMARY            	metabolomics analysis.
CO:SAMPLE_TYPE                   	Stem cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Phenylhydrazine (PHZ)-induced hemolytic anemia To induce acute hemolytic anemia,
TR:TREATMENT_SUMMARY             	age- and sex-matched mice were injected intraperitoneally with a single dose
TR:TREATMENT_SUMMARY             	(100 mg/kg body weight) of freshly prepared phenylhydrazine (Sigma-Aldrich,
TR:TREATMENT_SUMMARY             	dissolved in PBS). Mice were sacrificed at indicated time points for spleen
TR:TREATMENT_SUMMARY             	sample collection and Kit cell enrichment. Brucella abortus-induced inflammatory
TR:TREATMENT_SUMMARY             	anemia Heat-killed Brucella abortus (HKBA, strain 1119-3) was used to induce
TR:TREATMENT_SUMMARY             	anemia of inflammation following a previously described method(1). To induce
TR:TREATMENT_SUMMARY             	stress erythropoiesis, age- and sex-matched mice were administered with 5 x 108
TR:TREATMENT_SUMMARY             	particles of HKBA via intraperitoneal injection.Mice were sacrificed at
TR:TREATMENT_SUMMARY             	indicated time points for spleen sample collection and Kit cell enrichment.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Cell pellets were extracted with 1 ml pre-chilled 50:50 HPLC-grade
SP:SAMPLEPREP_SUMMARY            	water:methanol (v/v) containing 1 µM chlorpropamide as the internal standard.
SP:SAMPLEPREP_SUMMARY            	The samples were vortexed briefly followed by thorough homogenization. The
SP:SAMPLEPREP_SUMMARY            	samples were then snap frozen with liquid nitrogen and immediately thawed at
SP:SAMPLEPREP_SUMMARY            	room temperature. This step was repeated for three times followed by
SP:SAMPLEPREP_SUMMARY            	centrifuging for 10 min at 12,000 x g and 4 °C. The supernatants were
SP:SAMPLEPREP_SUMMARY            	transferred into fresh microfuge tubes. The remaining cell pellets were
SP:SAMPLEPREP_SUMMARY            	re-extracted with 0.5 ml 50% methanol containing 1 µM chlorpropamide,
SP:SAMPLEPREP_SUMMARY            	homogenized, frozen and thawed three times, spun down, and the supernatants were
SP:SAMPLEPREP_SUMMARY            	combined with the first extraction. Metabolites-containing supernatants were
SP:SAMPLEPREP_SUMMARY            	concentrated to dryness at room temperature in a SpeedVac concentrator and
SP:SAMPLEPREP_SUMMARY            	re-dissolved in 100 µl 97:3 water:methanol (v/v). After centrifuging for 10 min
SP:SAMPLEPREP_SUMMARY            	at 13000 × g and 4°C, 70 µl of supernatants were transferred into autosampler
SP:SAMPLEPREP_SUMMARY            	vials for LC-MS analysis. Two types of control were prepared in triplicates to
SP:SAMPLEPREP_SUMMARY            	run in concert with the experimental samples: the process blank control, and the
SP:SAMPLEPREP_SUMMARY            	pooled control containing an equal volume from each experimental sample.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	The sample run order was randomized to reduce bias from instrument drift. 10 µl
CH:CHROMATOGRAPHY_SUMMARY        	sample was subjected to LC-MS analysis on a Exactive Plus Orbitrap mass
CH:CHROMATOGRAPHY_SUMMARY        	spectrometer (Thermo Fisher Scientific) coupled to an Ultimate 3000 UHPLC system
CH:CHROMATOGRAPHY_SUMMARY        	(Thermo Fisher Scientific). Reversed-phase chromatography mode was used to
CH:CHROMATOGRAPHY_SUMMARY        	separate compounds on a Xselect C18 HSS column (Waters) with solvent A (97:3
CH:CHROMATOGRAPHY_SUMMARY        	water:methanol (v/v), 10 mM tributylamine, and 15 mM acetic acid ) and solvent B
CH:CHROMATOGRAPHY_SUMMARY        	(methanol). The flow rate was 200 µl/min, and the total run time was 25 min.
CH:CHROMATOGRAPHY_SUMMARY        	The gradient was 0 min, 0% B; 5 min, 20% B; 7.5 min, 55% B; 15 min, 65% B; 17.5
CH:CHROMATOGRAPHY_SUMMARY        	min, 95% B; and 21 min, 0% B. The mass spectrometer was operated in a
CH:CHROMATOGRAPHY_SUMMARY        	negative-ion mode at a resolution of 140,000 at m/z 200 and with a scan range of
CH:CHROMATOGRAPHY_SUMMARY        	85 to 1000 m/z.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	Waters XBridge C18 (50 x 2.1mm,3um)
CH:SOLVENT_A                     	97:3 water:methanol (v/v), 10 mM tributylamine, and 15 mM acetic acid
CH:SOLVENT_B                     	methanol
CH:FLOW_GRADIENT                 	0 min, 0% B; 5 min, 20% B; 7.5 min, 55% B; 15 min, 65% B; 17.5 min, 95% B; and
CH:FLOW_GRADIENT                 	21 min, 0% B.
CH:FLOW_RATE                     	200 µl/min
CH:COLUMN_TEMPERATURE            	standard
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Raw data files were converted to .mzML file format using the ProteoWizard
MS:MS_COMMENTS                   	software, and they were analyzed by the MS-DIAL software. Metabolites were
MS:MS_COMMENTS                   	identified by comparison to an in-house reference library of pure metabolite
MS:MS_COMMENTS                   	standards which included mass-to-charge ratio (m/z) and retention time. For
MS:MS_COMMENTS                   	quantification of metabolite abundance, peak areas of identified metabolites
MS:MS_COMMENTS                   	were first normalized to the internal standard chlorpropamide, and then
MS:MS_COMMENTS                   	normalized to cell numbers from each sample. Data were analyzed using R and
MS:MS_COMMENTS                   	Cytoscape software.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area normalized to IS and cell number
MS_METABOLITE_DATA_START
Samples	0-1	0-2	0-3	0-4	0-5	1-1	1-2	1-3	1-4	1-5	3-1	3-2	3-3	3-4	3-5	8-1	8-2	8-3	8-4	8-5
Factors	Time_point(days):0	Time_point(days):0	Time_point(days):0	Time_point(days):0	Time_point(days):0	Time_point(days):1	Time_point(days):1	Time_point(days):1	Time_point(days):1	Time_point(days):1	Time_point(days):3	Time_point(days):3	Time_point(days):3	Time_point(days):3	Time_point(days):3	Time_point(days):8	Time_point(days):8	Time_point(days):8	Time_point(days):8	Time_point(days):8
Pyruvate	0.0781171	0.075739521	0.046675136	0.097275332	0.084606164	0.062302729	0.057855074	0.128987132	0.105897256	0.118214166	0.139361579	0.106224463	0.212483238	0.172753602	0.169101628	0.061509917	0.058379876	0.061965875	0.05626	0.062609223
Alanine/Sacrosine	0.012485309	0.01210366	0.006861107	0.011709645	0.009232346	0.008831756	0.008429879	0.014645969	0.012577182	0.012603288	0.014132607	0.012891598	0.020813436	0.024461585	0.020701753	0.008388031	0.009381693	0.008361877	0.009353764	0.009686917
Lactate	0.211782637	0.123305682	0.070735976	0.155245569	0.127551598	0.12924365	0.076301274	0.175768786	0.188992056	0.165518808	0.205602027	0.196352587	0.654433468	0.44949005	0.362866556	0.060190714	0.068669251	0.061748743	0.071399842	0.059357043
Acetoacetate	0.000398291	0.000939158	0.000348125	0.00260656	0.001979894	0.001367456	0.000977968	0.002957484	0.001143959	0.000755357	0.002543577	0.002884899	0.004476345	0.004377769	0.005157684	0.0014481	0.003625545	0.001305469	0.000747832	0.000420465
Serine	0.013376953	0.014662874	0.007708712	0.011319545	0.009542208	0.00888324	0.009774786	0.016168816	0.010104873	0.011111259	0.008032665	0.007282316	0.00761375	0.018023169	0.012397951	0.011341929	0.013019827	0.013662875	0.012995656	0.014883841
Proline	0.016654917	0.018585092	0.012729826	0.015455517	0.013088752	0.017269776	0.018838689	0.026094036	0.019595104	0.01751889	0.036943411	0.029679924	0.032227354	0.045487683	0.040046294	0.016914265	0.016133803	0.016369431	0.016104697	0.020073989
Fumarate	0.000442709	0.000121302	2.11E-05	0.000174764	0.000296768	0.00010395	2.85E-05	0.000302824	0.000307349	0.000185107	0.000252976	0.000310575	0.000713779	0.000995933	0.000226204	0.000189402	3.47E-05	0.000212496	3.73E-05	4.31E-05
Maleic acid	0.002082825	0.001787896	0.001108215	0.002039504	0.001771435	0.001480469	0.001711728	0.003177961	0.002276133	0.002404137	0.002995351	0.002323816	0.005157503	0.004959094	0.004490396	0.001999357	0.002403529	0.002444888	0.001819957	0.001989318
2-Keto-isovalerate	0.009509354	0.006450283	0.004144369	0.009982963	0.008740025	0.005968911	0.005076737	0.012067584	0.010657005	0.012911477	0.012019545	0.008294359	0.02339836	0.021806479	0.019338392	0.005329646	0.00592242	0.005416387	0.006025286	0.006299001
Acetyl-glycine	0.001279079	0.000993846	0.000471437	0.001366203	0.001101248	0.000933475	0.00076676	0.001916686	0.001418265	0.001456153	0.001962314	0.001293296	0.00307906	0.00278266	0.00229977	0.000761443	0.000672658	0.000773359	0.00067695	0.000787783
Guanidoacetic acid	0.000110796	0.000110432	5.00E-05	0.000110882	6.59E-05	7.14E-05	6.90E-05	7.33E-05	0.000111001	6.98E-05	0.000315519	0.000243569	0.000225129	0.000393122	0.000333437	0.000194608	0.00024613	0.00021141	0.000185964	0.000211419
Valine/5-Aminopentanoic acid	0.039913119	0.045499895	0.029248482	0.031470158	0.023384278	0.032469975	0.036073852	0.04551819	0.033690759	0.033081047	0.029906445	0.032413568	0.055236628	0.048020931	0.039902136	0.039015531	0.046820506	0.046614323	0.039019836	0.045935015
Succinate/Methylmalonic acid	0.028492307	0.021796845	0.009635998	0.027541692	0.023609931	0.012428611	0.009964963	0.02557427	0.027328431	0.0297116	0.034376076	0.029438831	0.104059163	0.069517115	0.064344033	0.011788057	0.01093378	0.010711969	0.010045282	0.011192576
Threonine/Homoserine	0.014233636	0.016239846	0.007194168	0.010629798	0.007718493	0.008725341	0.008244871	0.013241463	0.011343083	0.011262074	0.007338317	0.008600034	0.008739723	0.015324586	0.012071326	0.013405687	0.01333038	0.011189739	0.013357647	0.015441173
Taurine	0.61649202	0.621985902	0.449779514	0.752406555	0.688535157	0.515483908	0.532270805	1.049629029	0.709339113	0.862092194	1.042753534	0.744840847	0.567970971	1.325419316	1.082974991	0.56793573	0.593780348	0.658131484	0.559063538	0.5671591
Pyroglutamic acid	0.086016169	0.071707667	0.03886372	0.080515133	0.072084951	0.066489968	0.044853502	0.104274837	0.10507227	0.086109818	0.120759956	0.122595679	0.313545203	0.276288987	0.190372597	0.041716958	0.050599001	0.052772456	0.051767407	0.042256979
Pipecolic Acid	0.000807961	0.000690363	0.000464873	0.001287578	0.00079134	0.000420054	0.000487351	0.001401091	0.001010409	0.001182426	0.00196577	0.001378584	0.002579925	0.002882168	0.00227153	0.001219511	0.001617631	0.001448195	0.001096122	0.000984564
Citraconic acid	0.022695367	0.016376192	0.007775876	0.024046204	0.020299507	0.013088657	0.011723527	0.027000314	0.020868773	0.02587875	0.027852431	0.01975952	0.04519249	0.049183111	0.048836411	0.012257814	0.011211791	0.013439404	0.011944076	0.013306847
Ketoleucine	0.03387256	0.024681539	0.011777947	0.030197028	0.029855659	0.017242876	0.016305466	0.037401428	0.031062465	0.04020742	0.033822039	0.029068788	0.075751923	0.072753654	0.070569459	0.019621888	0.017338516	0.020879447	0.018138626	0.021268111
Hydroxyproline/Aminolevulinate	0.00357595	0.002241184	0.001248195	0.003917994	0.002794687	0.002064801	0.001068154	0.003724185	0.003495545	0.004445668	0.004704322	0.00447986	0.010197389	0.010769538	0.009427397	0.00620041	0.007357091	0.00493885	0.005151881	0.004992421
N-Acetyl-L-alanine	0.003244507	0.002905019	0.002258147	0.003143837	0.00266839	0.00375366	0.00539194	0.006127209	0.004419733	0.004079686	0.004858688	0.004044481	0.006357966	0.00704626	0.004917599	0.006331235	0.010390757	0.010804923	0.007646946	0.008358396
Isoleucine	0.055631937	0.063826774	0.03713431	0.043585546	0.032332681	0.03547847	0.046133042	0.056861698	0.044337116	0.040980585	0.041516849	0.045426967	0.07831327	0.068260473	0.055626067	0.06258029	0.084068317	0.078002068	0.063988526	0.071230655
Leucine	0.132299284	0.166133286	0.112759497	0.116754553	0.090043636	0.088705877	0.135664001	0.152527605	0.105938295	0.10891551	0.111486586	0.10828545	0.155753778	0.156693876	0.134602615	0.167781281	0.211460772	0.213186752	0.1532262	0.201371344
Asparagine	0.008452362	0.010129885	0.005593884	0.006628048	0.005190895	0.008682589	0.00883218	0.013448069	0.007861722	0.009226158	0.004681184	0.004522285	0.00294792	0.005763959	0.005328411	0.008056122	0.009758384	0.010321872	0.009464333	0.011216391
Hydroxyisocaproic acid	0.01587782	0.015271536	0.004650575	0.019184916	0.014695882	0.007810336	0.007655425	0.022032005	0.011684803	0.029455054	0.015869507	0.013749126	0.030080817	0.036969707	0.038030303	0.007389772	0.007279156	0.010073181	0.007953877	0.011001321
Ornithine	0.001286328	0.000857675	0.000317417	0.000848555	0.000524005	0.000431519	0.000470123	0.000685736	0.000831867	0.00091551	0.00079159	0.001081776	0.002807553	0.002628615	0.002103789	0.000319065	0.000244214	0.000697329	0.000331139	0.000333324
Aspartate	0.214595622	0.251037758	0.232054017	0.210216316	0.189892764	0.262554648	0.33131591	0.48109306	0.336839799	0.332488953	0.568599249	0.41709223	0.469306482	0.604486555	0.438601576	0.373137898	0.286530929	0.337219316	0.31078245	0.435277995
Malate	0.003685943	0.00367383	0.001727121	0.004397477	0.003325613	0.002054439	0.00287568	0.004870601	0.003357188	0.005897993	0.005512172	0.00406214	0.005525682	0.006125538	0.007129301	0.001840764	0.001903503	0.002325638	0.001988695	0.00243675
p-Hydroxybenzoate	0.000465606	0.000269838	0.00020162	0.000390931	0.000682316	0.000258214	0.00021489	0.000513986	0.00038408	0.000616801	0.000612229	0.000411676	0.001085771	0.000826723	0.000932609	0.000220972	0.000222128	0.000230675	0.000306562	0.000189881
Alpha-ketoglutarate	0.002146895	0.00161345	0.00082354	0.002135506	0.001893954	0.001188503	0.001279054	0.002596771	0.0020029	0.002407964	0.002691712	0.002425649	0.004813979	0.005336733	0.004413657	0.001609684	0.00160549	0.001783552	0.001431943	0.001527606
Glutamine	0.026928109	0.028858621	0.011577001	0.02079176	0.013365986	0.014470238	0.010273136	0.018087268	0.016232591	0.015681085	0.00765171	0.008455044	0.019359647	0.017554387	0.017227812	0.014648213	0.016604804	0.014476151	0.016260268	0.019730966
Lysine	0.002257611	0.003183836	0.001869206	0.001415642	0.001202184	0.002000738	0.002525845	0.003209192	0.001693904	0.001768747	0.001675078	0.00127081	0.000767399	0.001261181	0.000940474	0.001482771	0.001664656	0.002104025	0.001643385	0.002021943
O-Acetyl-serine	0.252985459	0.256874151	0.206211253	0.208798436	0.214070243	0.306804342	0.330979683	0.439427702	0.377941368	0.301356209	0.488915295	0.434266991	0.634241766	0.63557122	0.515871214	0.404818819	0.417858201	0.425572032	0.356295079	0.429896402
2-Oxo-4-methylthiobutanoate	3.59E-05	2.38E-05	2.28E-05	4.04E-05	5.03E-05	2.55E-05	3.73E-05	3.05E-05	5.00E-05	3.39E-05	0.000676704	0.000333406	0.000228479	0.000398988	0.000287827	6.59E-05	7.71E-05	6.69E-05	6.65E-05	4.97E-05
Methionine	0.017721507	0.026538256	0.022199272	0.017041489	0.012829523	0.012529409	0.021981213	0.020077606	0.012056115	0.011413564	0.014657958	0.015400581	0.010559262	0.014709352	0.013100058	0.041912764	0.050504378	0.050251276	0.039147956	0.048249127
Ribose	0.001225154	0.000774644	0.000345468	0.001203727	0.00081423	0.000629958	0.000422476	0.001006085	0.001190796	0.00126832	0.001204704	0.001201945	0.005389797	0.002886042	0.002814692	0.00034585	0.000349054	0.00036701	0.000387762	0.000399143
Xanthine	0.017152886	0.020737515	0.01415367	0.014711639	0.012218893	0.025771183	0.046776761	0.039106327	0.023712724	0.017013493	0.017142607	0.01821825	0.036745113	0.023652473	0.022419688	0.037461674	0.043116658	0.04813474	0.038453289	0.037574146
2,3-Dihydroxybenzoic acid	0.000814866	0.000576732	0.00024999	0.000828652	0.000778096	0.000337833	0.000421374	0.000879769	0.000677356	0.001041778	0.001062539	0.000683923	0.001542334	0.001802	0.001739954	0.000449652	0.000364739	0.000521948	0.000399706	0.000474609
Histidine	0.001191114	0.002209476	0.001527614	0.000924479	0.000767937	0.001653008	0.001808141	0.002350756	0.001339694	0.001129915	0.000765125	0.0010418	0.000867069	0.000678007	0.000563498	0.001046917	0.001309292	0.001309674	0.001171829	0.001304591
Allantoin	0.009083871	0.00671485	0.002991702	0.009254733	0.00543953	0.004495691	0.002984027	0.007143391	0.00928756	0.008888799	0.011185857	0.010947734	0.035217717	0.024016137	0.022153725	0.002660719	0.002649441	0.001597865	0.002208829	0.002313653
Phenylpyruvate	0.004440888	0.003074996	0.001643663	0.004798105	0.004186554	0.002398415	0.002205888	0.005144427	0.004182119	0.00531555	0.005613235	0.004115827	0.010265114	0.010197957	0.009474103	0.00253883	0.002464207	0.002560687	0.002331333	0.002654585
Phenyllactic acid	0.003906933	0.002607829	0.00124618	0.004120329	0.003459293	0.001991435	0.001939571	0.004451539	0.003417545	0.00439993	0.004529692	0.003525579	0.008437496	0.008662189	0.008013304	0.001972447	0.001963772	0.002205517	0.001820165	0.002127146
Quinolinate	0.000435146	0.000516584	0.000507464	0.000374423	0.000332864	0.000317558	0.000367116	0.000620509	0.000518426	0.000393253	0.00022444	0.00027833	0.000465881	0.000348572	0.000411027	0.000371626	0.000249409	0.000393151	0.000208231	0.000300378
Phosphoenolpyruvate	0.002753557	0.004061558	0.004110271	0.003088534	0.00243074	0.006179658	0.001988646	0.003051471	0.004934648	0.002816906	0.010425669	0.009499828	0.007626577	0.013049292	0.007503014	0.003563671	0.004173318	0.001565568	0.003128046	0.002995238
Glyceraldehdye-3-phosphate	0.003079501	0.006897212	0.010583538	0.003932024	0.00763369	0.010051116	0.027210345	0.031138358	0.006350324	0.004221541	0.008370306	0.004789336	0.000992171	0.004193473	0.004404238	0.01243674	0.015103384	0.025595894	0.016132971	0.017366406
sn-Glycerol-3-phosphate	0.006024237	0.005496971	0.003402237	0.003199818	0.003231326	0.006964511	0.004759892	0.006613712	0.005129202	0.004405651	0.015107764	0.012760009	0.010811032	0.018930611	0.015071368	0.014276843	0.012270786	0.012972054	0.012546965	0.017037523
Aconitate	0.059137404	0.042250425	0.02151066	0.05986455	0.050347216	0.033546932	0.027768749	0.065126544	0.060316537	0.071652134	0.082373518	0.06406923	0.15490981	0.142639944	0.13126698	0.033294713	0.029995671	0.03201512	0.030003405	0.031456281
N-Acetyl-L-ornithine	0.001845615	0.0014713	0.000929062	0.001574339	0.001223226	0.001367404	0.001273525	0.002065435	0.001905845	0.002011041	0.001917284	0.001897317	0.005379632	0.003710445	0.003241812	0.000632856	0.00061502	0.000830045	0.000616017	0.000684835
Arginine	0.00220843	0.00310454	0.001630506	0.001544789	0.001385472	0.002052898	0.002720953	0.003366259	0.001727932	0.00188401	0.00165452	0.001173144	0.00082987	0.001159585	0.001062226	0.001961841	0.002700308	0.003296769	0.00244897	0.002800155
Citrulline	0.002045452	0.001606101	0.00058036	0.001706284	0.001068169	0.000859296	0.000554835	0.00135219	0.001743149	0.00177963	0.001498096	0.001714278	0.005794796	0.00539267	0.003832619	0.000443674	0.000523779	0.000516843	0.000680795	0.000573525
Allantoate	0.000799423	0.000565966	0.00025742	0.000668776	0.000496707	0.000308768	0.000226038	1.66E-05	0.000664848	0.000626411	0.000865653	0.000903064	5.37E-07	0.001705524	0.001580964	0.00010925	9.52E-05	1.23E-06	8.04E-05	9.08E-05
2-Isopropylmalic acid	0.019724222	0.013560774	0.007130688	0.022496903	0.018308128	0.010639717	0.009399561	0.022896495	0.018721358	0.024622736	0.024592436	0.017073786	0.042082979	0.041959567	0.042937371	0.01156281	0.010835645	0.011702937	0.011321528	0.010757588
Glucono-_-lactone	0.000191481	8.78E-05	0.000111593	0.000252541	2.76E-05	0.000236525	4.45E-05	6.83E-05	0.000211304	0.000121031	0.000185578	0.000130937	0.000361759	0.000636451	0.000324371	8.30E-05	0.000118498	7.05E-05	0.000115931	8.55E-05
Glucosamine	0.000334258	0.000133551	6.04E-05	0.000319361	0.000205163	0.000143289	0.000174734	0.000338002	0.000278957	0.000293924	0.000374678	0.000203119	0.000370979	0.000606432	0.000731213	0.000147137	9.36E-05	0.000136379	0.000112277	0.000126363
Hydroxyphenylpyruvate	0.000953429	0.000825484	0.000332337	0.00144617	0.001152762	0.000535804	0.00060962	0.001426255	0.001143083	0.001408606	0.001413762	0.001021832	0.002210301	0.002118776	0.002214945	0.000745092	0.000623705	0.000805757	0.000532693	0.000776742
Glucose	0.038404401	0.024281479	0.009235564	0.036482052	0.024693831	0.014510507	0.007760901	0.023290185	0.036802749	0.035651366	0.034616285	0.039454725	0.192652114	0.097648531	0.095488088	0.003915542	0.003308373	0.002694717	0.003633989	0.003520497
Tyrosine	0.02874109	0.03426619	0.023681423	0.026281923	0.022106031	0.021769994	0.040001303	0.041576015	0.025395762	0.028656176	0.026331293	0.024780244	0.039582168	0.036955019	0.032698916	0.051135719	0.067439821	0.086880748	0.052332984	0.065387284
4-Pyridoxic acid	0.001832096	0.0012841	0.000594922	0.001919037	0.001619315	0.000880736	0.000860218	0.002251452	0.001697321	0.002312368	0.00199518	0.001558402	0.004129185	0.004145973	0.003869194	0.00099963	0.000931698	0.001049838	0.00094008	0.00109534
3-Phosphoglycerate	0.011741808	0.012058284	0.005371328	0.0093105	0.00854869	0.008884129	0.010454398	0.013477308	0.014932569	0.012549298	0.027918834	0.019515856	0.016729781	0.032244292	0.027734989	0.012279272	0.011067904	0.009604851	0.012008794	0.014903069
Acetyllysine	0.000981321	0.001544939	0.000554015	0.000623777	0.000493678	0.00033377	0.000424753	0.000437313	0.0005767	0.000321536	0.000518567	0.000539687	0.000746103	0.000659708	0.000620759	0.000515331	0.000548197	0.000447513	0.00056393	0.000670375
Citrate/isocitrate	0.183385277	0.08523824	0.10549351	0.287311994	0.20902333	0.157371837	0.177511449	0.365037017	0.322130306	0.364021063	0.484285759	0.359922205	0.850894568	0.80644741	0.728244604	0.215358979	0.17618693	0.218448007	0.174652014	0.199599245
2-Keto-D-gluconate	0.001193454	0.00105319	0.000693165	0.001038673	0.000862787	0.000905567	0.001552736	0.001694105	0.001598778	0.0015058	0.001797618	0.001686553	0.004395727	0.002782952	0.002575938	0.003295755	0.005824638	0.0049134	0.003322701	0.003733553
Gluconate	0.004693579	0.004272927	0.003396481	0.004363078	0.010708483	0.003422406	0.004823247	0.011678369	0.005800794	0.005151663	0.010422065	0.008084816	0.015479604	0.014050158	0.013236438	0.009208165	0.013966973	0.009936425	0.007099167	0.00890491
Tryptophan	0.004067524	0.005622898	0.00492794	0.00403086	0.003741672	0.007823614	0.007927229	0.010172569	0.005889611	0.005691455	0.005382282	0.004826584	0.004173324	0.005937546	0.004535143	0.006892931	0.009723111	0.01146156	0.007891641	0.009066961
Deoxyribose-phosphate	0.001225852	0.003117456	0.000729817	0.00071719	0.000365113	0.000876432	0.000856317	0.000616299	0.002250215	0.000510239	0.001310356	0.001114903	0.000617261	0.000830415	0.000872276	0.001163704	0.000791424	0.000543712	0.001038988	0.001358128
Pantothenate	0.011853199	0.008926182	0.005428792	0.011387733	0.007905264	0.00762206	0.00766262	0.014340137	0.011653446	0.013139664	0.015316535	0.013033735	0.032775891	0.027733663	0.027723875	0.006275611	0.0063502	0.007835803	0.006168447	0.008316657
Cystathionine	0.000112002	9.22E-05	6.46E-05	0.000126865	0.000118918	0.000550097	0.000468474	0.000942734	0.000409405	0.000582407	0.000679163	0.000295028	0.000235586	0.000583397	0.00063505	7.85E-05	0.000112883	0.000157918	8.93E-05	8.10E-05
Ribulose-5-phosphate	0.010000004	0.013302268	0.007962862	0.011850333	0.007293935	0.001275405	0.000720081	0.001169724	0.001963339	0.005188864	0.003823393	0.003195234	0.002093939	0.003674225	0.004087965	0.007195382	0.001743593	0.001248953	0.002588216	0.002588763
Ribose-5-phosphate	0.008562629	0.009507671	0.010264773	0.007336	0.009936031	0.014018104	0.007122134	0.014316925	0.015239072	0.010446114	0.007937999	0.005984198	0.003273804	0.006995432	0.006057175	0.00243798	0.005847735	0.006155084	0.009219396	0.006827192
Tetrahydrobiopterin	0.000336242	0.000208681	6.89E-05	0.000246919	0.000147143	0.000117371	9.33E-05	0.00015129	0.000300834	0.00028982	0.000205206	0.000254776	0.000355964	0.000543399	0.000543463	0.000111962	8.73E-05	0.000109071	0.000153785	0.000147114
Cytidine	0.028954003	0.029293841	0.020934381	0.031287262	0.02511201	0.022566602	0.02700016	0.045596615	0.031861448	0.035192273	0.029164383	0.021925514	0.022958571	0.040508238	0.033703099	0.030978546	0.031892237	0.026589336	0.026997728	0.030292963
Uridine	0.001929187	0.001377272	0.000727226	0.001604561	0.001139756	0.001031979	0.000922741	0.001436714	0.001882447	0.001769161	0.002441427	0.002451945	0.007906279	0.004788915	0.00448029	0.000618423	0.000605264	0.000610862	0.000550307	0.000599395
Leu-Asp (LD)	0.000309508	0.000319992	0.000159419	0.000320161	0.000307898	0.000312239	0.000431103	0.00072865	0.000426156	0.000587133	0.000370439	0.000470115	1.15E-05	0.000738594	0.000549913	0.000301707	0.000360833	0.000399728	0.000365415	0.000426564
Glucose-1/6-phosphate@6.5	0.010381329	0.011359538	0.011299709	0.008972948	0.008136115	0.019651732	0.03126288	0.027845295	0.017215187	0.013124937	0.014460211	0.011284328	0.001628234	0.015692252	0.01226405	0.017865467	0.024552768	0.026791209	0.025084036	0.02419534
Glucose-1/6-phosphate@7.23	0.00910905	0.010419642	0.01027904	0.008910161	0.007634675	0.016811414	0.030320653	0.02535149	0.013325131	0.011628739	0.011333289	0.008858417	0.004744324	0.012571786	0.010433929	0.013035948	0.021991838	0.026981859	0.02252333	0.020192842
Fructose-6-phosphate	0.00028355	0.000580093	0.000610688	0.000427991	0.000469875	0.000473367	0.000752421	0.00094749	0.000466885	0.000407196	0.000588407	8.06E-05	0.000278223	0.00048078	0.000415586	0.000493667	0.00062325	0.000669063	0.000579589	0.000653214
6-Phospho-D-gluconate	0.00117814	0.001218309	0.000955868	0.000931168	0.000727541	0.000955992	0.001456342	0.002014513	0.001184432	0.001091817	0.00118379	0.000994605	0.001368099	0.001273665	0.001214597	0.000604295	0.000604286	0.000433808	0.000492995	0.000582192
Xanthosine	8.87E-05	9.75E-05	5.22E-05	4.35E-05	3.97E-05	0.000119307	0.0002474	0.000119273	0.000107748	9.17E-05	0.000571489	0.000887176	0.000461095	0.000517042	0.000499408	0.000343581	0.000427148	0.00056521	0.000389986	0.000310059
D-Sedoheptulose-1/7-phosphate	0.001550977	0.001641951	0.002399554	0.001221339	0.001436862	0.007141929	0.011298854	0.013493316	0.004556919	0.00200915	0.003052126	0.001524482	0.000658777	0.002142176	0.001680335	0.007260161	0.012057794	0.018311096	0.015075003	0.013368579
N-Acetyl-glucosamine-1/6-phosphate	0.000598578	0.000574221	0.000452952	0.000411524	0.000156104	0.000311085	0.000638849	0.001034884	0.00098468	0.000583139	0.001012092	0.000857437	0.000660751	0.001172426	0.000859243	0.00095184	0.001345939	0.001522659	0.000779593	0.001042378
dCMP	0.002913695	0.001524209	0.001923361	0.001277256	0.001278764	0.002800336	0.005389008	0.00272066	0.004990978	0.000876433	0.000873012	0.000891992	0.000359985	0.000466724	0.000501224	0.00112053	0.001324089	0.001898719	0.000927261	0.001042982
Glutathione	0.039530204	0.055626777	0.069180503	0.053018598	0.022149744	0.129642015	0.128309025	0.116756775	0.12969898	0.052025922	0.271154771	0.237753004	0.170446748	0.196039447	0.186922312	0.230910542	0.269737355	0.240555013	0.211013884	0.223457606
dTMP	0.008535626	0.004341986	0.005912127	0.004215913	0.004047543	0.007244864	0.01526725	0.008052051	0.012690977	0.003038794	0.00181443	0.001739394	0.000919669	0.001033945	0.0010345	0.002917641	0.003850956	0.005725643	0.00237408	0.001839369
UMP	0.010422331	0.010972071	0.008552376	0.011435783	0.010663989	0.010444103	0.020400591	0.011947331	0.017479462	0.007128433	0.00328914	0.003343705	0.002642013	0.004064445	0.002864198	0.009635685	0.008404329	0.007452751	0.00524389	0.0084098
Cyclic-AMP	0.001266709	0.001062498	0.001066343	0.001489287	0.001082525	0.000976006	0.00072201	0.000942175	0.001537533	0.001159646	0.002029506	0.001531726	0.00357028	0.003302325	0.002450509	0.000947613	0.001064483	0.000551593	0.000765327	0.000739916
dAMP	0.00733806	0.003444217	0.005029267	0.003414697	0.003231887	0.006418325	0.01402208	0.006849374	0.010823067	0.002589103	0.001523678	0.001316028	0.000804543	0.000914782	0.000844547	0.002172727	0.003150966	0.004945675	0.001945316	0.001657916
Trehalose/Sucrose	0.001223516	0.000641351	0.000336104	0.001915901	0.007015768	0.000870847	0.000446416	0.008414264	0.002548891	0.002170383	0.002326137	0.00090177	0.00285075	0.003333907	0.003681829	0.000677548	0.000534426	0.003242093	0.000636655	0.000617242
dGMP	0.11039561	0.121475111	0.123242282	0.100223	0.070974706	0.119240775	0.144431365	0.189602947	0.163688925	0.13256624	0.260927536	0.216685074	0.093059925	0.239563885	0.200927231	0.200601535	0.204363528	0.190602652	0.159993815	0.18634498
AMP	0.108629203	0.119636944	0.120579969	0.098563349	0.070004467	0.116956657	0.141192433	0.185952358	0.160424684	0.131100643	0.256919835	0.212347703	0.09151624	0.235602848	0.197408549	0.197974622	0.200339352	0.187828754	0.157035303	0.183076925
GMP	0.036235572	0.027742575	0.019079533	0.028946497	0.026946663	0.022704079	0.042363505	0.024903615	0.04810543	0.017506256	0.007707795	0.008563916	0.003731327	0.00803106	0.006079141	0.014855232	0.012518427	0.007771805	0.006271554	0.011637762
dCDP	3.16E-06	7.29E-05	5.20E-05	2.15E-05	8.82E-06	0.000117709	5.71E-05	0.000102316	0.000224663	0.000146391	0.000439499	0.000450223	0.000106248	0.000386313	0.000224941	7.79E-05	8.48E-05	1.54E-05	3.18E-05	3.09E-05
5-Phosphoribosyl-1-pyrophosphate	8.33E-05	0.002414921	7.25E-06	0.003656791	0.002004107	0.000351746	0.000711014	0.002862547	0.000528499	0.001055553	0.004146942	0.000991434	0.000222083	0.005359543	0.008921472	0.002450781	0.000140433	0.000152898	0.000989489	0.001934748
dTDP	2.07E-05	1.32E-05	5.07E-05	1.98E-05	1.09E-05	3.14E-05	6.74E-06	4.05E-05	7.42E-05	4.28E-05	0.000225549	8.35E-05	0.000646104	0.000106486	8.72E-05	2.71E-05	0.000130221	1.07E-05	1.20E-05	1.34E-05
CDP	0.001603925	0.000943358	0.000466401	0.001568477	0.000883914	0.000982627	0.000220969	0.000703352	0.004328925	0.001746214	0.010114232	0.00949887	0.011443289	0.017858102	0.012569976	0.000285492	0.000382461	0.00024989	0.000280833	0.000130815
UDP	0.028234415	0.015621474	0.032389064	0.045759296	0.019029644	0.060974466	0.011693794	0.044650017	0.084760662	0.042114276	0.075005303	0.090743146	0.254690888	0.179409342	0.100101445	0.022195384	0.04085136	0.015170275	0.025073409	0.010946783
Cholic acid	0.001548161	0.001072667	0.000562619	0.001446527	0.00133598	0.000871273	0.000747532	0.001761007	0.001503661	0.001627444	0.001621859	0.001210327	0.003692836	0.003438447	0.00335771	0.00085306	0.000723217	0.00088085	0.000718084	0.000836925
ADP	0.018312454	0.020875807	0.029836311	0.040132893	0.02285838	0.054341515	0.011242282	0.046771181	0.056958534	0.027499316	0.042515376	0.045189102	0.220322588	0.100123833	0.070640382	0.010780886	0.020031287	0.010162392	0.026514284	0.016100035
dCTP	1.02E-06	7.28E-07	0.000317058	0.000377883	9.14E-07	0.000181997	4.82E-07	0.001218267	0.000503315	1.24E-06	1.22E-05	0.001157877	0.001422163	0.002435582	2.18E-06	0.000158556	0.000728183	5.93E-07	0.000323641	5.90E-07
dTTP	0.001531997	0.000593518	0.000874402	0.000805866	0.000818047	0.002489425	0.000586578	0.000832836	0.00250591	0.001626482	0.001557789	0.002081546	0.004590847	0.001786906	0.002294341	0.000515028	0.001078428	0.000942858	0.000679451	0.000529894
CTP	0.000183952	0.002718142	0.008088218	0.063298524	0.000651976	0.017606272	2.87E-05	0.068910159	0.038185626	5.04E-05	0.043538014	0.033162966	0.058489529	0.114925024	0.048314915	0.03030042	0.017933262	0.000112368	0.021809401	0.006580228
UTP	0.123139014	0.040210472	0.141470452	0.192095522	0.060667735	0.272387934	0.043609611	0.21364834	0.285869716	0.131383313	0.118576144	0.198753849	0.984614672	0.408601815	0.146020381	0.096589948	0.19004683	0.0712276	0.101050942	0.031981937
dATP	7.59E-05	0.000326753	0.000924673	0.000708321	0.000447426	0.001462898	0.00023773	0.001042661	0.001814281	0.000303056	0.000808027	0.001204776	0.004272481	0.000974117	0.001349691	0.000342406	0.000811459	2.80E-05	0.000622639	0.000212292
dGTP	0.251245599	0.258999569	0.298618481	0.432791599	0.303215085	0.501936531	0.14479047	0.529339762	0.5525403	0.350354391	0.439243131	0.496192011	1.846218972	1.000414007	0.773224694	0.219196982	0.326485996	0.15964392	0.281781423	0.225226926
GTP	0.021124793	0.01812637	0.029608477	0.041709771	0.023952794	0.005561906	0.011856467	0.060175927	0.083106015	0.02919892	0.03288129	0.070430445	0.264331597	0.126920118	0.052607543	0.020807017	0.047610573	0.012386978	0.036584547	0.015596609
UDP-D-glucose	0.003500579	0.00363961	0.004189746	0.002858516	0.002586645	0.003314757	0.003696069	0.005457832	0.004528727	0.003758025	0.003083819	0.003336111	0.003341603	0.003831743	0.003110293	0.006491581	0.005810199	0.007260186	0.005747589	0.006275121
UDP-N-acetyl-glucosamine	0.008654745	0.009686665	0.010874096	0.007676622	0.007342502	0.012682941	0.014583847	0.017226384	0.013928729	0.011176573	0.030692775	0.022934295	0.022910572	0.032749094	0.023945619	0.029875069	0.031006151	0.026108558	0.026731548	0.02854711
Glutathione disulfide	0.029149592	0.037914028	0.033325527	0.022843623	0.013659545	0.030812695	0.040381918	0.05457267	0.035305662	0.036659382	0.05754401	0.037019086	0.038103777	0.049054527	0.034314952	0.014974529	0.011283228	0.01882797	0.011615841	0.020180015
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Pyruvate
Alanine/Sacrosine
Lactate
Acetoacetate
Serine
Proline
Fumarate
Maleic acid
2-Keto-isovalerate
Acetyl-glycine
Guanidoacetic acid
Valine/5-Aminopentanoic acid
Succinate/Methylmalonic acid
Threonine/Homoserine
Taurine
Pyroglutamic acid
Pipecolic Acid
Citraconic acid
Ketoleucine
Hydroxyproline/Aminolevulinate
N-Acetyl-L-alanine
Isoleucine
Leucine
Asparagine
Hydroxyisocaproic acid
Ornithine
Aspartate
Malate
p-Hydroxybenzoate
Alpha-ketoglutarate
Glutamine
Lysine
O-Acetyl-serine
2-Oxo-4-methylthiobutanoate
Methionine
Ribose
Xanthine
2,3-Dihydroxybenzoic acid
Histidine
Allantoin
Phenylpyruvate
Phenyllactic acid
Quinolinate
Phosphoenolpyruvate
Glyceraldehdye-3-phosphate
sn-Glycerol-3-phosphate
Aconitate
N-Acetyl-L-ornithine
Arginine
Citrulline
Allantoate
2-Isopropylmalic acid
Glucono-_-lactone
Glucosamine
Hydroxyphenylpyruvate
Glucose
Tyrosine
4-Pyridoxic acid
3-Phosphoglycerate
Acetyllysine
Citrate/isocitrate
2-Keto-D-gluconate
Gluconate
Tryptophan
Deoxyribose-phosphate
Pantothenate
Cystathionine
Ribulose-5-phosphate
Ribose-5-phosphate
Tetrahydrobiopterin
Cytidine
Uridine
Leu-Asp (LD)
Glucose-1/6-phosphate@6.5
Glucose-1/6-phosphate@7.23
Fructose-6-phosphate
6-Phospho-D-gluconate
Xanthosine
D-Sedoheptulose-1/7-phosphate
N-Acetyl-glucosamine-1/6-phosphate
dCMP
Glutathione
dTMP
UMP
Cyclic-AMP
dAMP
Trehalose/Sucrose
dGMP
AMP
GMP
dCDP
5-Phosphoribosyl-1-pyrophosphate
dTDP
CDP
UDP
Cholic acid
ADP
dCTP
dTTP
CTP
UTP
dATP
dGTP
GTP
UDP-D-glucose
UDP-N-acetyl-glucosamine
Glutathione disulfide
METABOLITES_END
#END