#METABOLOMICS WORKBENCH jsto1886_20230720_133749 DATATRACK_ID:4176 STUDY_ID:ST002846 ANALYSIS_ID:AN004664 PROJECT_ID:PR001781
VERSION             	1
CREATED_ON             	September 7, 2023, 1:09 pm
#PROJECT
PR:PROJECT_TITLE                 	Apolipoprotein E suppresses hyperlipidemia-driven hematopoiesis & inflammation
PR:PROJECT_TITLE                 	by controlling mitochondrial metabolism
PR:PROJECT_SUMMARY               	Apolipoprotein E (ApoE) is recognized for its pleiotropic properties that
PR:PROJECT_SUMMARY               	suppress inflammation. We report that ApoE serves as a metabolic rheostat that
PR:PROJECT_SUMMARY               	regulates microRNA-control of glycolytic and mitochondrial activity in myeloid
PR:PROJECT_SUMMARY               	cells and hematopoietic stem & progenitor cells (HSPCs). ApoE expression in
PR:PROJECT_SUMMARY               	myeloid cells increases microRNA-146a, which reduces NF-κB-driven GLUT1
PR:PROJECT_SUMMARY               	expression and glycolytic activity. In contrast, ApoE expression reduces
PR:PROJECT_SUMMARY               	microRNA-142a, which increases CPT1A expression, fatty acid oxidation, and
PR:PROJECT_SUMMARY               	oxidative phosphorylation. Improved mitochondrial metabolism by ApoE expression
PR:PROJECT_SUMMARY               	causes an enrichment of TCA cycle metabolites and NAD+ in macrophages. The study
PR:PROJECT_SUMMARY               	of mice with conditional ApoE expression supports the capacity for ApoE to
PR:PROJECT_SUMMARY               	foster microRNA-controlled immunometabolism. Modulation of microRNA-146a & -142a
PR:PROJECT_SUMMARY               	in the hematopoietic system of hyperlipidemic mice using RNA mimics &
PR:PROJECT_SUMMARY               	antagonists, respectively, improves mitochondrial metabolism, which suppresses
PR:PROJECT_SUMMARY               	inflammation and hematopoiesis. Our findings unveil an RNA regulatory network,
PR:PROJECT_SUMMARY               	controlled by ApoE, which exerts metabolic control over hematopoiesis and
PR:PROJECT_SUMMARY               	inflammation in hyperlipidemia.
PR:INSTITUTE                     	Northwestern University
PR:DEPARTMENT                    	Pulmonary and Critical Care
PR:LABORATORY                    	Chandel Laboratory
PR:LAST_NAME                     	Stoolman
PR:FIRST_NAME                    	Joshua
PR:ADDRESS                       	303 E Superior Street, Chicago, IL, 60611
PR:EMAIL                         	joshua.stoolman@northwestern.edu
PR:PHONE                         	7343559440
#STUDY
ST:STUDY_TITLE                   	Apolipoprotein E suppresses hyperlipidemia-driven hematopoiesis & inflammation
ST:STUDY_TITLE                   	by controlling mitochondrial metabolism
ST:STUDY_SUMMARY                 	Apolipoprotein E (ApoE) is recognized for its pleiotropic properties that
ST:STUDY_SUMMARY                 	suppress inflammation. We report that ApoE serves as a metabolic rheostat that
ST:STUDY_SUMMARY                 	regulates microRNA-control of glycolytic and mitochondrial activity in myeloid
ST:STUDY_SUMMARY                 	cells and hematopoietic stem & progenitor cells (HSPCs). ApoE expression in
ST:STUDY_SUMMARY                 	myeloid cells increases microRNA-146a, which reduces NF-κB-driven GLUT1
ST:STUDY_SUMMARY                 	expression and glycolytic activity. In contrast, ApoE expression reduces
ST:STUDY_SUMMARY                 	microRNA-142a, which increases CPT1A expression, fatty acid oxidation, and
ST:STUDY_SUMMARY                 	oxidative phosphorylation. Improved mitochondrial metabolism by ApoE expression
ST:STUDY_SUMMARY                 	causes an enrichment of TCA cycle metabolites and NAD+ in macrophages. The study
ST:STUDY_SUMMARY                 	of mice with conditional ApoE expression supports the capacity for ApoE to
ST:STUDY_SUMMARY                 	foster microRNA-controlled immunometabolism. Modulation of microRNA-146a & -142a
ST:STUDY_SUMMARY                 	in the hematopoietic system of hyperlipidemic mice using RNA mimics &
ST:STUDY_SUMMARY                 	antagonists, respectively, improves mitochondrial metabolism, which suppresses
ST:STUDY_SUMMARY                 	inflammation and hematopoiesis. Our findings unveil an RNA regulatory network,
ST:STUDY_SUMMARY                 	controlled by ApoE, which exerts metabolic control over hematopoiesis and
ST:STUDY_SUMMARY                 	inflammation in hyperlipidemia.
ST:INSTITUTE                     	Northwestern University
ST:LAST_NAME                     	Stoolman
ST:FIRST_NAME                    	Joshua
ST:ADDRESS                       	303 E Superior Street, Chicago, IL 60611
ST:EMAIL                         	joshua.stoolman@northwestern.edu
ST:PHONE                         	7343559440
#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           	-	1	genotype:wild-type | treatment:no treatment	RAW_FILE_NAME=Nav-Jos-20210423-01
SUBJECT_SAMPLE_FACTORS           	-	2	genotype:wild-type | treatment:no treatment	RAW_FILE_NAME=Nav-Jos-20210423-02
SUBJECT_SAMPLE_FACTORS           	-	3	genotype:wild-type | treatment:no treatment	RAW_FILE_NAME=Nav-Jos-20210423-03
SUBJECT_SAMPLE_FACTORS           	-	4	genotype:wild-type | treatment:no treatment	RAW_FILE_NAME=Nav-Jos-20210423-04
SUBJECT_SAMPLE_FACTORS           	-	5	genotype:wild-type | treatment:IL-4	RAW_FILE_NAME=Nav-Jos-20210423-05
SUBJECT_SAMPLE_FACTORS           	-	6	genotype:wild-type | treatment:IL-4	RAW_FILE_NAME=Nav-Jos-20210423-06
SUBJECT_SAMPLE_FACTORS           	-	7	genotype:wild-type | treatment:IL-4	RAW_FILE_NAME=Nav-Jos-20210423-07
SUBJECT_SAMPLE_FACTORS           	-	8	genotype:wild-type | treatment:IL-4	RAW_FILE_NAME=Nav-Jos-20210423-08
SUBJECT_SAMPLE_FACTORS           	-	17	genotype:ApoE-KO | treatment:no treatment	RAW_FILE_NAME=Nav-Jos-20210423-17
SUBJECT_SAMPLE_FACTORS           	-	18	genotype:ApoE-KO | treatment:no treatment	RAW_FILE_NAME=Nav-Jos-20210423-18
SUBJECT_SAMPLE_FACTORS           	-	19	genotype:ApoE-KO | treatment:no treatment	RAW_FILE_NAME=Nav-Jos-20210423-19
SUBJECT_SAMPLE_FACTORS           	-	20	genotype:ApoE-KO | treatment:no treatment	RAW_FILE_NAME=Nav-Jos-20210423-20
#COLLECTION
CO:COLLECTION_SUMMARY            	BMDMs were seeded in a 6-well cell culture plate at a density of 50,000/well,
CO:COLLECTION_SUMMARY            	and incubated in complete media at 37C & 5% CO2 overnight. Cells were gently
CO:COLLECTION_SUMMARY            	washed 4x with DPBS before freezing at -80C. For metabolite extraction, cells
CO:COLLECTION_SUMMARY            	were extracted with 1 mL HPLC-grade methanol/water 80:20. Cell lysates were
CO:COLLECTION_SUMMARY            	centrifuged at 18,000 x g for 10 min. Supernatants were collected for downstream
CO:COLLECTION_SUMMARY            	metabolomic analysis. The samples were evaporated using a stream of nitrogen.
CO:COLLECTION_SUMMARY            	Subsequently metabolites were reconstituted in 50% acetonitrile in HPLC-grade
CO:COLLECTION_SUMMARY            	water,vortexed and centrifuged to remove any debris. Samples were analyzed by
CO:COLLECTION_SUMMARY            	Ultra-High-Performance Liquid Chromatography and High-Resolution Mass
CO:COLLECTION_SUMMARY            	Spectrometry and Tandem Mass Spectrometry (UHPLC-MS/MS). Specifically, the
CO:COLLECTION_SUMMARY            	system consisted of a Thermo Q-Exactive in line with an electrospray source and
CO:COLLECTION_SUMMARY            	an Ultimate3000 (Thermo Fisher, USA) series HPLC consisting of a binary pump,
CO:COLLECTION_SUMMARY            	degasser, and auto-sampler outfitted with an Xbridge Amide column (Waters;
CO:COLLECTION_SUMMARY            	dimensions of 4.6mm × 100mm and a 3.5μm particle size). Mobile phase A
CO:COLLECTION_SUMMARY            	contained 95% (vol/vol) water, 5% (vol/vol) acetonitrile, 10mM ammonium
CO:COLLECTION_SUMMARY            	hydroxide, 10mM ammonium acetate, pH = 9.0; and mobile phase B was 100%
CO:COLLECTION_SUMMARY            	Acetonitrile. The gradient was as follows: 0 min, 15% A; 2.5 min, 30% A; 7 min,
CO:COLLECTION_SUMMARY            	43% A; 16 min, 62% A; 16.1-18 min, 75% A; 18-25 min, 15% A with a flow rate of
CO:COLLECTION_SUMMARY            	400μL/min. The capillary of the ESI source was set to 275°C, with sheath gas
CO:COLLECTION_SUMMARY            	at 45 arbitrary units, auxiliary gas at 5 arbitrary units, and the spray voltage
CO:COLLECTION_SUMMARY            	at 4.0kV. In positive/negative polarity switching mode, an m/z scan automatic
CO:COLLECTION_SUMMARY            	gain control (AGC) target was set at 1x106 and the maximum injection time was
CO:COLLECTION_SUMMARY            	200 ms. The top 5 precursor ions were subsequently fragmented, in a
CO:COLLECTION_SUMMARY            	data-dependent manner, using the higher energy collisional dissociation (HCD)
CO:COLLECTION_SUMMARY            	cell set to 30% normalized collision energy in MS2 at a resolution power of
CO:COLLECTION_SUMMARY            	17,500.
CO:SAMPLE_TYPE                   	Macrophages
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Briefly, bone marrow cells were flushed from the tibia and femurs of 6- to
TR:TREATMENT_SUMMARY             	12-week-old male Apoe-/-, Apoe+/-, or wildtype mice on C57BL/6J background.
TR:TREATMENT_SUMMARY             	Cells were cultured in complete media containing DMEM (Corning, USA)
TR:TREATMENT_SUMMARY             	supplemented with 10% fetal bovine serum (GIBCO, USA), 1% GlutaMax (GIBCO, USA),
TR:TREATMENT_SUMMARY             	and 1% penicillin-streptomycin (GIBCO, USA) and differentiated with 25 ng/ml
TR:TREATMENT_SUMMARY             	mouse M-CSF (Peprotech, USA) for 6 days in 37C and 5% CO2. BMDM were then seeded
TR:TREATMENT_SUMMARY             	into 12-well culture plates (Corning, USA) at a concentration of 3 x 10^5.
TR:TREATMENT_SUMMARY             	Stimulation was done with 20 ng/mL IL-4 for 16 hours prior to collection.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Following incubation/ stimulation cells were washed with 2mL ice-cold 0/9% NaCl.
SP:SAMPLEPREP_SUMMARY            	Following plate wash, plates were placed on dry ice 100uL 80:20 methanol/water
SP:SAMPLEPREP_SUMMARY            	solution in dry ice. Plates were scraped on dry ice and lysates were transferred
SP:SAMPLEPREP_SUMMARY            	to eppendorf tubes and centrifuged at 21,000xg for 10 min. Supernatants were
SP:SAMPLEPREP_SUMMARY            	transferred to fresh tubes and kept at -80dC until analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Samples were analyzed by high-performance LC (HPLC) and high-resolution MS and
CH:CHROMATOGRAPHY_SUMMARY        	MS/MS (HPLC-MS/MS). The system consists of Thermo Q Exactive with an
CH:CHROMATOGRAPHY_SUMMARY        	electrospray source and an UltiMate3000 (Thermo Fisher Scientific) series HPLC
CH:CHROMATOGRAPHY_SUMMARY        	consisting of a binary pump, degasser, and autosampler outfitted with an XBridge
CH:CHROMATOGRAPHY_SUMMARY        	Amide column (Waters; dimensions of 4.6 mm by 100 mm and a 3.5-μm particle
CH:CHROMATOGRAPHY_SUMMARY        	size). Mobile phase A contained water and acetonitrile (95/5, v/v), 10 mM
CH:CHROMATOGRAPHY_SUMMARY        	ammonium hydroxide and 10 mM ammonium acetate (pH 9.0). Mobile phase B was 100%
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile. The gradient was set to 0 min, 15% A; 2.5 min, 30% A; 7 min, 43%
CH:CHROMATOGRAPHY_SUMMARY        	A; 16 min, 62% A; 16.1–18 min, 75% A; 18–25 min, 15% A, with a flow rate of
CH:CHROMATOGRAPHY_SUMMARY        	400 μl min–1.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Fisher UltiMate 3000
CH:COLUMN_NAME                   	Waters XBridge Amide (100 x 4.6mm, 3.5um)
CH:SOLVENT_A                     	95% water/5% acetonitrile; 10 mM ammonium hydroxide; 10 mM ammonium acetate (pH
CH:SOLVENT_A                     	9.0)
CH:SOLVENT_B                     	100% acetonitrile
CH:FLOW_GRADIENT                 	0 min, 15% A; 2.5 min, 30% A; 7 min, 43% A; 16 min, 62% A; 16.1 to 18 min, 75%
CH:FLOW_GRADIENT                 	A; and 18 to 25 min, 15% A
CH:FLOW_RATE                     	400 μl/min
CH:COLUMN_TEMPERATURE            	275
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	A 15μl aliquot of the sample was used for high-resolution HPLC-tandem mass
MS:MS_COMMENTS                   	spectrometry. High-resolution HPLC-tandem mass spectrometry was performed on a
MS:MS_COMMENTS                   	Q-Exactive (ThermoFisher Scientific) in line with an electrospray source and an
MS:MS_COMMENTS                   	UltiMate 3000 (ThermoFisher Scientific) series HPLC consisting of a binary pump,
MS:MS_COMMENTS                   	degasser and autosampler outfitted with a XBridge Amide column (Waters; 4.6 mm
MS:MS_COMMENTS                   	× 100 mm dimension and a 3.5 μm particle size). The capillary of the
MS:MS_COMMENTS                   	electrospray ionization source was set to 275 °C, with sheath gas at 45
MS:MS_COMMENTS                   	arbitrary units, auxiliary gas at 5 arbitrary units and the spray voltage at 4.0
MS:MS_COMMENTS                   	kV. A mass/charge ratio scan ranging from 70 to 850 was used in
MS:MS_COMMENTS                   	positive/negative polarity switching mode. MS1 data were collected at a
MS:MS_COMMENTS                   	resolution The automatic gain control (AGC) target was set at 1 × 106, with a
MS:MS_COMMENTS                   	maximum injection time of 200 ms. The top five precursor ions were fragmented
MS:MS_COMMENTS                   	using the higher-energy collisional dissociation cell with normalized collision
MS:MS_COMMENTS                   	energy of 30% in MS2 at a resolution of 17,500. Data were acquired with Xcalibur
MS:MS_COMMENTS                   	software (v.4.1; ThermoFisher Scientific). Analysis was performed using
MS:MS_COMMENTS                   	MeatboAnalyst (v5.0) with peak area normalized to total ion count for each
MS:MS_COMMENTS                   	sample.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak area
MS_METABOLITE_DATA_START
Samples	1	2	3	4	5	6	7	8	17	18	19	20
Factors	genotype:wild-type | treatment:no treatment	genotype:wild-type | treatment:no treatment	genotype:wild-type | treatment:no treatment	genotype:wild-type | treatment:no treatment	genotype:wild-type | treatment:IL-4	genotype:wild-type | treatment:IL-4	genotype:wild-type | treatment:IL-4	genotype:wild-type | treatment:IL-4	genotype:ApoE-KO | treatment:no treatment	genotype:ApoE-KO | treatment:no treatment	genotype:ApoE-KO | treatment:no treatment	genotype:ApoE-KO | treatment:no treatment
(S)-4-hydroxymandelonitrile	1269325.845	1843675.605	1450533.054	586437.7325	2399396.597	1957623.081	1524374.281	1361895.183	631491.9904	600842.506	717381.7018	1112970.523
1,3-bisphospho-D-glycerate	0	29680.83635	45474.95767	10859.80957	0	0	19468.10112	0	20774.74975	0	19485.11074	0
1-methylnicotinamide+	15992201.79	8819394.041	3958120.7	24370980.88	4954145.22	15838733.35	13901678.15	5269296.558	16586929.39	13027792.23	14388712.98	8431610.49
1-phenylethylamine	690329.3879	844911.9922	762096.8706	856677.9228	1226124.602	1273986.601	988894.1051	1145627.434	551547.4954	1065135.519	978230.0356	1101934.691
2- / 3-phosphoglycerate	2059849.809	2434090.22	1690346.989	2010215.895	6702122.979	6181934.278	7355115.485	5048109.81	1161150.275	1525177.901	1260534.421	1969328.998
2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine	14659.79596	0	0	0	0	0	0	0	0	11056.48285	16879.35088	19148.75318
2,3-bisphospho-D-glycerate	10314.38826	0	0	0	10541.06303	0	0	0	0	0	0	0
2-aminobutanoate / 2-aminoisobutanoate	0	0	0	0	0	0	0	0	0	0	0	0
2-HG	955804.4027	725512.0293	1072044.484	1464297.153	2435608.436	3108472.331	1678018.451	1889369.005	894295.4809	888686.597	1049034.303	1203292.125
2-hydroxybutanoic acid	5710096.688	2624744.41	2633887.972	5855345.616	3517491.182	2943756.258	3342414.627	3173581.432	4048241.768	2445119.934	4005698.116	2569747.311
2-keto-isovaleric acid	3830045.619	11285502.5	9190746.64	2329100.316	0	5613504.358	4243766.699	3826080.985	0	0	3233004.437	12233278.34
2-ketovaleric acid	1678562.376	0	0	0	2413435.73	0	0	0	0	0	0	3569601.153
2-oxoadipic acid	0	0	0	0	0	0	0	0	0	0	0	0
2-oxobutanoic acid	0	0	0	0	0	0	0	0	0	0	0	0
3- / 4 -hydroxybutanoic acid	31991711.09	23765630.45	20246024.01	33840228.12	15019586.18	38515113.82	35436075.63	30310759.69	23746923.36	38473767.47	45751469.36	52378910.61
3- / 4-hydroxyphenylacetic acid / vanillin /	11169702.83	25209163.14	16092577.55	10213421.46	11459328.85	14818566.11	18634588.33	8937799.282	8139765.464	8841094.774	11412552.25	12190890.86
3- / 7-methylguanine	440304.1812	792867.57	663316.2128	391103.994	928817.5214	947932.229	632756.4171	563639.5578	223347.2853	209791.4548	380353.0473	691336.8804
3,4-dihydroxymandelic acid	0	0	0	0	0	0	0	0	0	0	0	0
3,4-dihydroxyphenylpropanoate	0	0	0	0	0	0	0	0	0	0	0	0
3-aminoisobutanoate	352038.0245	404929.2971	325711.7079	478055.5953	340851.8975	596762.6671	559566.7322	493059.0152	616302.3051	746776.4979	634130.5456	697899.2774
3-hydroxy-anthranilic acid	0	0	0	0	0	0	0	0	0	0	0	0
3-hydroxykynurenine	0	263889.7847	0	42695.91515	323936.2885	0	0	91279.85115	0	98152.47611	19610.15084	128227.465
3-hydroxypropanoic acid	0	0	0	0	0	0	0	0	0	0	0	0
3-methoxytyramine	0	0	0	0	0	0	0	0	0	0	0	0
3-phosphohydroxypyruvic acid	0	0	0	0	0	0	0	0	0	0	0	0
3-phospho-serine	3459342.608	2920803.525	3071687.433	3014232.555	7449983.93	12090730.1	8818677.705	5860367.655	2203252.146	797681.7905	2353007.138	830774.4345
3-ureidopropionic acid	0	0	0	0	0	0	0	0	0	0	0	0
4-hydroxyphenylpyruvic acid	84736.60426	54609.86643	37035.02598	35383.53609	278128.1731	0	24662.75527	54821.43289	46632.5626	0	39232.56008	0
4-hydroxyproline / 5-aminolevulinate / N-acetyl-b-alanine	0	0	0	0	410595.0378	465559.1541	641882.2938	160325.5756	0	0	0	0
4-phosphopantothenate	7677.562502	0	0	17825.75894	0	5571.456469	0	0	0	0	29474.1647	0
4-trimethylammoniobutanoate+	11113321.11	12803138.14	11682181.42	9734202.226	21743698.76	21608316.02	18162835.54	18027258.8	6550535.637	7203117.441	7796714.61	7978330.696
5,6-dihydroxyindole	0	3905329.828	0	0	0	0	0	0	0	0	0	0
5-methylcytosine	1082161.322	1188058.806	889265.3166	998330.3709	961840.1391	1016840.128	874013.055	731679.327	728332.4929	589700.0567	1009298.847	826401.1698
5-methyl-THF	0	0	0	0	0	0	0	0	0	0	0	0
5'-methylthioadenosine	82112972.73	139378595.1	61904693.38	70808266.43	244783003	260547060.8	255468322.5	189390118.9	39597186.32	32936541.24	35320679.49	31974487.06
6-aminocaproic acid	0	0	0	0	0	0	0	0	0	0	0	0
6-methylnicotinamide	0	0	0	131293.404	0	0	0	0	111215.2306	0	267690.6513	183788.2523
6-O-methylguanine	0	10075.631	6945.916336	0	0	0	0	0	0	0	0	0
6-phosphogluconic acid	110882.2134	97405.76801	124928.3951	104235.7429	360921.6579	305702.4531	314982.2294	417270.4442	81754.29882	95470.93363	328575.1476	164072.4283
6-phosphoglucono-D-lactone	18523.6274	19453.81808	19190.32241	17106.98151	15318.12233	0	0	0	11844.58217	8793.5079	0	20300.17632
acetoacetic acid	0	0	0	0	0	0	0	0	0	0	0	0
acetylcholine+	4191716.138	5474158.602	5566726.402	3812208.666	10878909.92	9830603.965	10893149.24	9628225.318	4863310.975	4378563.199	5202870.139	6099429.049
acetyl-CoA	35655.11889	21265.86891	0	36858.26949	0	0	0	0	50276.85043	0	0	0
aconitic acid	371799.2728	94871.33705	0	71346.17467	0	672638.2098	365191.9775	153308.9303	99709.28014	0	0	0
adenine	8794347.379	10514285.59	5362642.529	4255958.207	16165852.22	15693325.36	15306901.24	10954994.28	3312274.468	2038930.428	2794347.969	2807096.744
adenosine	2175289.897	1676083.895	2586175.876	1864814.322	1406997.219	3245918.257	2827289.871	2265548.896	1854904.422	1086919.808	1785104.424	1067169.087
adenylosuccinate	78304.72365	107378.8721	63426.47923	71856.72361	33632.4926	62744.14731	22604.95936	39099.21945	12149.88089	0	45291.4481	0
ADP / dGDP	50885292.48	48139908.43	31281759.49	47571247.61	73746122.4	93031737.43	93197345.03	76097277.09	31293330.11	15301405.74	22423913.43	15839532.11
ADP-D-glucose	0	0	0	0	0	0	0	0	0	0	0	0
agmatine	416984.1759	886508.807	768678.8519	571295.8591	276181.251	197308.584	141892.276	100635.2044	290997.9325	234059.1329	498996.3984	815958.3406
AICA ribonucleotide	0	0	0	0	635363.8533	682839.1423	847799.5391	502302.5553	0	0	0	0
a-KG	0	0	172706.9931	0	226189.7522	180696.4199	492632.0089	154444.7252	0	0	0	242824.6174
alanine	97803548.44	162189787.1	106447540.8	84714994.46	266663201.4	278585318.1	180141833.1	170230832.9	74584942.48	43306510.02	111534151.3	143695555.8
alanine methyl ester	13742279.59	12033246.75	11027050.89	2905112.8	11743416.32	18153365.23	15500395.68	11146508.23	11747996.15	8134161.624	12880418.79	9152435.826
allantoin	13236877.17	21110991.71	17755684.52	10420894.81	23484215.93	23964321.13	16296282.49	14583368.27	8665045.311	7542158.742	12882422.51	21934048.29
AMP / dGMP	12269482.29	10556180.1	11787439.6	10414896.9	17036662.34	21534559.99	17526086.26	16713140.21	7383346.96	5803917.625	8614318.366	6114871.847
anandamide	99567.85004	272718.1964	137937.9644	81377.02413	243569.96	812019.192	157656.164	0	244640.6746	465257.4132	0	258574.5523
arginine	1943390123	3347696064	2501534493	1730171380	1702414340	1486471470	834455872	850730208.6	1086665134	967845322.3	1849511054	3063506293
ascorbic acid	0	0	0	0	0	0	0	0	0	0	0	0
asparagine	1038991.632	2840541.565	1533015.462	1089498.433	2914067.518	3271002.278	1887925.085	1786883.501	682951.2231	869435.3675	1782499.319	1963828.442
aspartic acid	353509258.2	312407229.9	229369854.6	330250810.5	305820601.7	646882472.5	632384016	460945718.3	225454670	210605837.7	236806431	208627063.2
ATP / dGTP	214955816.7	237609398.8	100069494	196750255.4	271394475.8	315974289.9	270795867.8	282103737.8	108286994.3	68792437.16	81686403.14	53733018.38
b-alanine	18522035.51	7048971.704	35363851.59	1224516.2	83630932.97	55178125.94	101570678.9	76189265.21	12259019.48	2856493.888	286077.5461	3313991.873
betaine	2373366720	4444621589	3010874226	1619524659	2307303911	5888066334	5002485548	4832603149	1511986696	1389237382	1588492422	1866228014
butyric acid	3316102.956	2956974.84	1426003.034	2543825.105	1112047.535	2671959.101	2115914.586	1668749.1	0	2540907.507	3036738.426	3726920.038
butyric acid(iso)	157270.4235	0	0	213986.1668	0	85341.07693	0	69169.98886	668366.5215	653279.1523	979486.9752	1616072.999
carbamoyl phosphate	0	0	0	0	0	0	0	0	0	0	0	0
carnitine+	24560072.96	32097247.97	26630558.61	21491289.37	55629614.48	49935125.15	44885794.42	46097696.27	19007258.23	18658399.69	18281052.28	22303916.81
CDP	2638887.267	2827855.738	1487290.242	2406138.347	5568037.85	5107988.516	5398324.029	5046837.32	1760059.466	1301091.937	1252084.974	840940.7489
CDP-choline	5150563.641	5693053.77	4627224.67	4825187.555	2635900.98	3353332.241	2740303.33	2655230.094	2688243.277	1141668.705	2801108.931	1537905.499
cGMP	0	0	0	0	0	0	0	0	0	0	0	0
choline+	2359317185	3330614097	2962732551	2017514878	3817266409	3293207000	2907704288	2824611108	1743742549	1880008651	2033312820	2922478430
citraconic acid	30459842.44	54683230.3	16887988.47	17443062.29	16023027.23	37378760.37	14190606.1	12386828.15	11437126.89	16527814.51	16035707.5	26427047.65
citramalic acid	42240871.26	28130824.24	22156789.73	27158213.07	34204283.58	47611820	27736395.35	27082757.43	23121752.75	13946703.57	31907331.33	23218030.95
citrate / citrate(iso)	401092789.5	402348055.4	181695929.4	267189028.4	921828100.4	1873570031	984216201.9	795299617.5	102258038.6	67302933.62	127808733	115723036.7
citrulline	0	31398.82366	0	0	0	0	0	0	0	0	0	0
CMP	10583481.52	10916548.61	11158115.44	10971169.44	12460176.77	13183916.43	10100705.45	10608630.23	7109652.134	6482785.993	9246468.166	9020358.268
cortisol	38383.95057	47659.08573	0	25054.72499	18845.8788	83929.289	83642.0682	37919.43837	27209.53982	126055.5538	0	18993.5789
creatine	20575184.03	26492002.22	24354053.94	17934871.69	128649031.7	142443443.7	117718415.8	102390069.8	17034426.83	10548238.8	16341496.25	12882335.36
creatinine	168573588.5	266375781.5	228637189.5	116518828.9	434771701.8	412286600.3	335902680	295526249.7	109928792.1	108920877.2	137068452.2	233979411.6
CTP	11820973.81	11931020.6	6685198.504	10373960.09	21717000.71	27733537.65	23593582.02	21772803.61	5200390.372	3456536.844	3627949.644	2131968.011
cystathionine	1024305.011	1566416.293	1339996.273	935863.4785	4590596.548	4457789.131	3623903.365	3209153.22	575123.5507	522613.8018	944190.4266	1247533.66
cysteine	0	0	0	0	0	0	103660.482	0	0	0	0	0
cysteine-S-sulfate	0	0	0	66623.18664	0	0	0	0	0	0	0	66473.0215
cystine	3259454.432	2233823.362	9861122.482	8159827.02	754273.3632	1262935.129	227651.6522	239200.5092	5717195.62	1886509.018	11114018.39	16576269.8
cytidine	1992342.54	2868307.833	1750692.123	3173369.802	757387.7687	1239252.691	522909.7034	453638.2509	5335587.569	2330882.344	5551945.647	4284485.891
cytosine	5357650.919	6074019.851	5497665.501	4577108.447	4282566.11	4065386.396	3451609.748	3399716.425	3463464.666	2524821.376	3134848.668	4071084.038
dADP	0	0	0	0	0	0	20079.51476	0	0	0	0	0
dAMP	16444.90096	50912.4786	0	34051.74547	0	16308.6234	31408.69168	40063.68592	0	0	0	0
D-arabinono-1,4-lactone	0	0	0	178430.1547	0	0	0	0	94371.90243	129600.6015	130891.8747	90855.08172
dATP	0	0	0	0	13845.20448	31164.86562	38286.49096	11244.7737	0	0	0	0
dCDP	32357.13307	27084.30514	0	9131.39736	373270.6001	245468.0795	374520.5686	173377.0414	0	8978.697537	0	0
dCMP	694639.1342	676144.9944	738176.7485	700974.3465	2224055.408	2584690.931	1966804.277	1796244.648	333379.0891	276249.0889	569415.2779	382753.9979
dCTP	548294.3065	616524.4367	360098.9035	506990.4567	2174647.631	2557925.638	2039586.041	1858267.429	217741.3673	124187.1842	136807.056	118146.2363
dehydroascorbic acid	0	0	0	0	0	0	0	20461.32628	0	0	19343.29234	0
deoxyguanosine	0	0	0	0	0	0	0	0	0	0	0	0
deoxyinosine	142975.9328	109562.3506	162573.9495	128748.7461	0	21457.51096	0	0	15541.19921	10994.97115	27267.3955	0
deoxyuridine	538571.7855	1293936.245	836783.3511	339891.6754	1487684.835	1632472.337	905883.8583	899156.0301	422088.786	286920.7457	523400.9709	1133664.007
D-erythrose-4-phosphate	0	0	0	0	0	0	0	0	0	0	0	0
D-galactonic acid / D-gluconic acid	2970778.017	3558201.417	1919273.937	1810408.813	7098732.53	8554056.136	5165483.269	4556323.735	599690.4761	770737.2574	1531696.594	1340303.625
D-galactosamine/glucosamine-1-phosphate	0	0	0	0	0	0	0	0	0	0	0	0
D-galactosamine/glucosamine-6-phosphate	10749.7412	8346.965312	7396.242209	13536.91786	78070.70198	17825.99054	10238.93002	59505.68488	7420.787088	7745.108341	6809.99906	47977.40829
dihydroorotate	35702.20678	0	0	0	0	0	0	0	0	0	20375.18396	65763.42728
dimethylglycine	1969621.426	2210455.044	1811341.695	1592276.225	5435748.813	9408410.504	4466514.634	7708030.468	0	0	0	0
DL-DOPA	0	0	0	0	0	0	0	0	0	0	0	0
DOPAC	25329.12039	10922.79504	6682.684152	6596.294992	79167.96288	0	5029.986253	6410.022287	27324.20882	19783.17917	16385.66543	22442.65811
DOPAL	255372.7457	273862.716	243435.6774	362414.9693	179932.8391	264356.8817	417886.2838	387733.4445	369987.299	258800.1009	375325.1711	523820.3467
dopamine	201930.7922	532475.3263	391962.0863	326467.5061	620946.2447	554987.8214	412163.788	559343.145	484324.6428	686975.5739	462405.6072	508807.7311
dopamine quinone	6491119.351	23468709.02	0	0	0	5540638.462	4476763.442	3374651.648	0	0	0	0
DOPEG	507839.9268	864842.6104	638922.8267	274519.3432	627535.8831	387568.9761	461657.0371	1035151.03	735441.5414	578323.9495	797314.0819	926430.1224
DOPET	375128.3161	312920.2192	347047.016	247339.5015	119960.6876	86405.53523	141703.5808	28309.4904	33293.52994	261042.4395	201825.5519	404387.5724
D-ribose-1/5-phosphate / D-ribulose 5-phosphate	412047.5351	480354.1827	410980.3029	239647.1347	1294342.493	1790587.307	1505226.505	1208112.837	113149.3085	99411.99397	116541.5999	333060.3423
D-sedoheptulose-7-phosphate	428864.5037	717762.4198	432624.3529	443335.1963	2183853.37	1459715.746	1502445.141	1993075.347	90111.52858	464224.8082	191693.3039	1031095.834
dTMP	0	0	0	0	0	0	0	0	0	0	0	0
dTTP	0	0	0	0	202523.0003	187642.292	163097.4013	114007.5585	9542.246905	0	0	0
dUMP	0	0	0	0	0	0	0	0	0	0	0	0
dUTP	0	0	0	0	0	0	0	0	0	0	0	0
epinephrine	133810.7013	204633.2965	205243.1539	92650.02413	49332.67726	75562.86858	51144.60763	85817.91164	198925.6614	99184.91002	132552.0221	55893.96661
ethyl acetate	8402002.363	12782459.39	9709363.735	7184957.808	9717563.544	8466893.314	8317354.671	9800269.777	6306530.658	6706263.424	7932399.371	7007871.51
F-1,6/2,6-DP	6261444.531	6392895.11	4446565.795	5047958.556	14863861.99	14881340.43	15104557.18	12809331.73	3443889.658	3083562.422	3579695.911	4383558.07
F1P	77381.99275	38361.20307	19146.89456	27169.44859	39133.90857	20186.28871	26737.38314	0	0	0	21902.47643	0
F6P / G1P / G6P	4974038.238	5352534.239	5027218.443	4272076.815	14998074.91	12433244.82	10287231.11	11846159.83	2521380.306	4932462.224	3751430.579	9764167.491
FAD	71081.06329	0	0	0	0	0	0	0	0	0	0	0
FMN	0	0	0	0	0	0	0	0	0	0	0	0
folic acid	2411637.604	3639021.701	3489102.659	2232487.805	3751330.455	3802138.884	2056011.484	2051280.488	1684821.035	1738669.352	2988778.095	5287225.546
fructose / mannose	102986083.5	139961948.8	130094690.6	84429307.61	83208453.36	170488862.4	101900557.6	90541735.06	86978077.26	64175715.7	135977198.7	219385190.6
fumaric acid	0	366912.898	237266.2084	0	935219.2607	1345224.93	1349866.564	495973.492	119590.0785	119134.4514	159806.3154	136937.5926
GABA	2575824.802	2417053.778	2417973.094	1544532.309	10167995.46	6798214.437	9127683.164	8025522.935	2559752.827	1172360.77	1738035.765	1039425.195
galactosamine / glucosamine	342436.0105	456291.2116	472319.8964	648533.6642	356940.6677	177848.2026	78781.67946	32842.64558	1072545.289	588701.3923	1427532.722	1973156.09
galactose / glucose	417641283.4	573832012.1	553667951.2	531842182	514072282.9	592211540.3	327409959.5	292050619.8	385471975.4	440135103.9	731554866.3	1115263159
GalNAC/GlcNAC/ManNAC	4195944.922	4476383.245	3185034.053	3751067.995	1859067.009	1393725.238	1081946.52	823382.5303	3118563.407	2859514.235	3569300.154	3501978.488
GAP / DHAP	711937.2331	766127.8731	713192.3675	716147.9752	3563248.247	5137474.556	3641687.268	2631402.304	456918.47	393061.8742	455250.919	766227.8441
GDP	6240323.237	4569105.791	2528786.482	4699040.973	5352745.285	6522054.219	6401858.583	5286604.892	3076619.397	1996553.555	2059596.007	1544268.741
GDP-L-fucose	973889.4646	909375.7056	679144.347	624707.8941	1407935.91	1884254.109	1301118.863	1142842.029	492274.5903	491560.5924	681910.9049	661993.556
glucono-lactone	1816704.014	932755.234	980604.2573	104560.5621	1075125.82	1386845.401	717104.9884	1331061.22	1584641.428	1315035.627	2429477.441	2730709.714
glutaconic acid	3207810.826	1739637.21	1012012.239	2285121.3	2569945.585	1765941.064	1321635.663	1429232.385	2104435.616	1846077.95	2187639.157	1915860.195
glutamine	85723762.98	126010742	123386711	75956469.91	180592220.6	190282052.7	118172773.2	116296730.5	65003666.05	56018905.72	95599665.99	156434287.9
glutaminic acid	120093407.3	127629468.8	115600426.5	114561211.5	291466899.5	312967206.7	270778214.6	243002502.4	85037062.01	65736334.96	102729210.1	94329994.33
glutathione	1340809.153	1102407.494	575097.017	940105.6519	1894016.947	2014413.095	4467062.31	2996665.851	679125.5332	495460.0659	548838.164	320219.075
glutathione disulfide	126871593.1	148639423.2	123121193.7	124875391	221998467.1	204185404.8	199427292.4	184435245.1	79943903.27	74873593.65	100868518.1	90747715.21
glyceraldehyde	0	0	88189710.5	199023192	69322736.17	0	0	0	109837809.8	181478103.8	269154897.2	416226720.3
glyceric acid	1076672.448	652828.514	529425.7759	7669183.639	224727.0163	2272258.891	2110260.227	707972.2069	7853777.683	6845741.845	7664709.582	11062069.44
glycerol 2/3-phosphate	13301187.78	17342862.25	13301166.54	12219496.94	42227116.75	39680390.47	36094568.88	33535143.3	8858471.87	10058386.7	10519305.2	13384192.97
glycine	9443030.374	13706637.58	9488294.198	9438111.122	22311942.4	20759976.83	16143930.71	16236129.47	8407655.026	8029213.661	9619110.716	15820349.24
glycylglycine	0	0	0	0	0	0	0	0	0	0	0	0
GMP	2968989.638	2387210.2	2018561.571	2043603.787	2927737.817	3089856.636	2656382.961	2818031.804	1235764.592	972634.0672	1430598.946	1088738.95
GTP	14763296.43	15009680.13	4449445.109	13919271.6	16227570.19	24787482.45	19168766.92	18494313.74	6099778.135	3110806.716	3358806.281	2324119.882
guanidine	2080061.364	1794239.417	2162389.974	3482317.021	0	1569225.346	816495.3868	747769.9754	3446650.592	9504204.974	3299090.689	1974117.978
guanidinoacetate	0	0	0	0	2084969.851	2852178.782	2015040.104	1814219.669	0	0	0	0
guanine	459514.0502	604678.647	1139613.627	342277.1365	252607.7105	358905.6529	138670.3835	120912.7102	158272.4398	121542.7714	230234.9428	278666.7789
guanosine	727953.3741	519753.7742	282716.2116	587948.503	15765.57676	305336.488	159991.5434	172407.2263	429772.0578	166288.9494	395130.5211	207771.4371
gulonic-lactone	8708198.305	5978990.145	4816898.597	6391093.356	3584042.357	4997736.656	4547764.908	4240501.91	6316179.282	3822995.051	8068385.529	8407013.68
histamine	0	0	0	0	0	0	0	0	0	0	0	0
histidine	68164336.37	71517309.36	54369176.38	61595269.29	63856663.95	78157476.69	64199101.36	58848904.09	53526417.6	41169393.95	54143241.91	59805357.48
homocysteine	0	0	0	29175.39776	0	0	0	0	28743.23868	0	115484.4168	213699.5629
homoserine / theronine	47546796.95	81373653.32	67836062.8	40115789.04	107593185.4	105738293.1	61452891.01	58007152.9	33338349.5	30069017.47	53240511.06	94093880.98
homovanillic acid	10946.42936	33491.91747	0	0	31381.16306	0	0	9891.227351	0	0	40666.70596	0
hydroxyphenyllactic acid	2202228.35	1862182.547	2081130.102	1193081.589	4139414.26	3144825.619	3278100.236	2927700.028	658466.6614	651535.8427	1095881.051	1820637.547
hypoxanthine	8828841.512	15988153.58	13102115.32	6460379.548	2750252.264	3482977.663	2531557.182	2181132.458	6327781.44	5232837.21	8679641.878	14122538.93
IDA	740210.3618	361286.1388	410028.806	422371.0234	566261.1586	453965.9354	704108.7304	975050.9345	471426.0295	232790.3275	129081.1288	1518829.854
IDP	0	26294.235	0	0	0	0	0	0	0	0	0	0
imidazole-4-acetate	45742.13513	0	0	0	0	158425.9813	0	0	26577.93341	11799.01269	24195.99676	0
IMP	2850279.502	2402862.987	2093715.676	2393272.427	1950423.838	3163857.969	2371148.887	1754007.248	1609889.501	361535.7593	1662258.919	406030.409
inosine	77524.45016	0	33034.71091	17168.74403	35649.55786	37485.69295	0	16006.83606	23118.31305	0	14014.32444	0
isonictinic acid	124478.5365	0	0	154965.5388	0	0	0	0	222186.0837	266112.1334	137266.448	242863.3408
itaconic acid	190581.7797	1954328.17	142439.6365	1045617.599	2636140.591	109891.8764	96709.61767	1377397.682	720417.0833	621060.9002	1134200.759	962799.955
kynurenic acid	85251.35218	73486.90282	188111.9709	13670.73404	85108.58731	67321.16473	14585.50808	30994.43421	10328.01203	0	32440.59542	76680.7631
kynurenine	403135.5517	790729.8783	1276276.331	225295.4743	1380669.306	1192795.436	872611.256	651032.6325	400169.8646	381581.4348	545845.7192	1003778.241
lactic acid	3612928087	3861938910	2993186598	2513376026	3326164128	5180208037	3741738864	3122662577	2042411518	2089143680	3096583176	4543047660
L-arginino-succinate	806273.6631	918863.8276	791494.8753	672849.2553	1580622.14	1700425.304	1367054.586	1087036.918	495032.6396	469954.648	607826.2947	736464.0592
L-cysteic acid	0	0	0	0	0	0	0	0	0	0	0	0
leucine / leucine(iso)	2309660710	2940806113	1953319968	2395789372	2169346204	4537592822	2909278016	1936670304	2506341992	1889132664	3379716068	5179634639
levulinic acid	5948786.588	5477821.275	6514770.861	7354397.518	5885779.159	9418540.179	7014798.678	6368367.408	5803920.755	7831511.008	5199933.636	3092581.763
L-NMMA	14788789.36	20043374.88	12989679.87	10053949.74	44577860.2	39952900.89	28875564.58	26071294.13	5748465.39	4530822.023	9345182.933	16202114.48
L-tyrosine methyl ester	9822.943086	353813.349	21901.38328	29745.65041	11539.38351	137170.4205	0	107004.713	24770.24728	154655.0969	18130.65757	0
lysine	963326171.3	1558528693	1409956376	852978123.8	3036349985	2767892482	1802847637	1783091023	527733176.6	525534809.2	991822936	1686984643
maleic acid	3255346.146	2164375.542	1933694.344	3104858.347	0	6362261.387	5557184.878	3460760.119	1678534.176	1514197.392	1991311.459	1647316.338
malic acid	33174183.42	27749589.9	23019051.58	34017697.21	0	76518423.69	72363923	38770013.41	0	0	21224037.55	16153336.62
malonyl-CoA	0	0	11326.74877	46635.65489	0	0	16774.78141	0	0	0	36170.18212	22181.78668
mesaconic acid	0	0	0	0	0	0	0	0	0	0	0	0
methionine	436108621.2	792211510.3	528120621	334418687.3	336926365.7	798399012.2	516504808.7	479088547.4	263402541.9	281120333.7	446427003.9	864767998.3
methyl acetoacetate	0	0	0	0	0	0	0	0	0	0	0	0
methylglyoxal	0	0	0	0	0	0	0	0	0	0	0	0
methylmalonic acid	362095721.4	311296143.7	283408145	104127833	329241332.5	163877311.4	171446286.9	224653537.9	97238910.88	161852327.2	151096666	228642378.3
mevalonic acid	13089927.97	9911122.52	5956490.698	11723301.84	5109671.524	11632662.03	11340333.28	8113955.27	12228686.59	7856881.154	14450220.28	13415924.49
N1/N8-acetylspermidine	0	0	0	37895.94267	0	289104.2725	38002.27847	35684.98482	40730.71188	55873.41055	0	31767.0183
N-acetylaspartic acid	1666776.046	2144057.651	2245947.939	1246355.411	1281957.741	592748.0762	984388.7157	1579242.815	816843.505	916105.513	1515119.974	718266.7009
N-acetylaspartylglutamic acid	45819.25797	36954.49453	112107.1263	49725.82731	52271.00217	297880.8772	171448.3889	254887.7118	0	0	16130.43104	26072.00527
N-acetyl-DL-alanine	56262219.48	77449122.12	61100849.08	43862643.27	66998298.44	80273705.33	75557614.34	76278671.59	32926058.4	50244222.89	52383466.37	66585991.46
N-acetyl-DL-serine	13708271.3	4997208.035	2570047.104	34839589	1674073.157	7758023.887	6996478.968	8030055.508	87657318.34	50312993.98	76247695.78	25699434.6
N-acetyl-dopamine	0	0	0	0	0	0	0	0	0	0	0	0
N-acetylglucosamine 1/6-phosphate	1078430.201	1499392.174	1094962.857	1097508.504	2181776.262	1920081.299	1885989.801	2053243.776	625947.915	993311.1734	925015.1861	1421845.334
N-acetyl-L-glutamic acid	0	0	0	0	0	0	43238.91902	0	0	0	0	0
NAD+	46850505.22	50741025.1	38572313.94	42585396.38	93144330.14	108510807.4	91279911.88	93570915.11	32730190.63	25203249.62	33253584.16	28582933.08
NADH	0	0	0	0	0	0	0	0	0	0	0	0
NADP+	5034650.192	4909078.419	3325793.694	4468253.103	9628037.052	10582100.57	7710315.504	6783604.12	2554820.636	1661526.813	2896863.87	2204069.855
NADPH	15130.04205	72421.18567	24728.48326	0	160884.1245	115049.0101	111538.0174	125815.8281	23627.51466	35796.13104	7755.430475	28347.12236
N-carbamoyl-L-aspartate	36172.3335	0	0	21343.48002	913234.9308	1545270.468	1118111.975	751585.9515	0	0	0	0
nebularine	143045.3793	109541.4282	162584.0351	128670.0226	0	21404.62165	0	0	15505.23264	10974.38094	27301.10412	0
nicotinamide	173045083.2	386129957	316543903.8	183962540	343253367.9	398787199.5	305476775.4	271024537.3	128984523.1	136193644.2	195654812.9	257529412.7
nicotinamide riboside+	0	0	0	0	0	0	0	0	0	0	0	0
nicotinic acid	2202952.44	2717309.87	2744052.77	2146877.022	3668451.73	3830479.59	3659094.226	3029190.564	4635124.413	3125509.073	3978567.312	3033581.076
N-methyltryptamine	0	0	7687.576642	0	9332.980392	0	0	0	0	0	0	0
NMN	290572.1118	290391.497	232258.7867	184388.9608	549043.3742	737812.6145	553691.6145	446461.8026	191476.8621	63579.31319	172423.7058	57598.30377
norepinephrine	1095179.21	0	46946.82459	5570511.342	0	0	8015341.87	7019874.065	3695423.373	3930306.296	3582764.142	4446649.087
O-acetyl-L-serine	21026294.98	23041657.39	22196189.42	11097164.43	25057675.23	21145971.19	25704473.32	32797929.66	9265515.207	13539777.25	12992206.29	19680767.44
octopamine	1412628.914	1522342.743	1001478.227	1362988.954	1152230.695	1516409.789	1783133.125	1918630.072	1414971.08	1035464.077	919973.2715	1242121.935
ornithine	51465134.53	78533953.33	68089460.52	43574552.47	1399380283	1106051984	852874404	784620049.7	19502460.54	17494609.58	34266481.86	71246944.27
orotic acid	328235.5111	419400.1544	181037.8004	334674.3745	126764.0688	172852.2268	70225.48976	48096.80786	0	66974.76463	0	108819.753
orotidylic acid	30967.53204	12419.15661	0	12740.62545	0	0	0	0	0	0	0	0
oxalacetic acid	260524.1073	0	0	0	0	0	0	0	0	0	0	0
pantothenic acid	141233411.1	159872012.3	63303153.36	140115079	60891609.12	265458639.6	121925658.4	64287669.62	140750172.1	124532203.6	221258033.3	359981986.5
phenethylamine	0	0	0	0	0	0	0	0	0	0	0	0
phenylalanine	395059199	694583879.3	582387089.5	307918480.8	814603880.8	822879421.6	497447205.2	443550566.1	234087144.2	252452096.3	404547642.6	724520583.9
phenylephrine / synephrine	40065.6407	198383.2198	22266.12789	9912.452106	41007.24012	55656.55243	39324.62517	6067.317414	54003.32274	18499.80218	41467.37831	74441.08565
phosphocreatine	734852353.1	806149626.8	698005723.1	645748126.1	3200095407	3185862184	2811089947	2706014004	437431320.9	431764484.6	491793668.6	532815118.5
phosphoenolpyruvate	387733.7923	445968.1198	253547.3343	385886.1301	1489738.293	1231601.282	1385895.971	1251993.672	239398.3098	275974.752	237901.9027	454668.946
phosphorylcholine+	593729616.8	645857606.8	555343062.5	486708408.1	2107356079	2183777004	1808898648	1696731174	368499330.9	311464615	428792554.9	379101588.4
picolinic acid	4954389.542	4889087.258	4309329.203	5725713.178	2931296.738	5302845.043	4116214.329	4920260.171	6702129.976	6549434.74	6683697.897	6562378.971
proline	88994537.3	41332724.45	22255018.66	86032143.99	6057142.027	90810231.12	81052031.98	49228555.7	129125740.8	75734323.07	103075242.3	106004548.1
propionic acid	0	0	0	0	0	0	0	0	10590060.33	0	8006454.494	0
PRPP	0	0	0	0	0	0	0	0	0	0	0	0
pseudouridine	2061547.218	2166037.18	836347.6309	1778067.579	103073.9904	3358849.858	1723596.058	1150342.863	1353748.062	1587441.221	2381153.015	4791147.957
putrescine	672281.1349	295192.5102	12372.16025	615593.851	0	460640.5487	528564.0216	210337.1435	476505.3117	366633.1996	246607.6682	146146.7506
pyridoxine	0	0	0	0	0	0	0	0	0	0	0	0
pyroglutamic acid	1888365808	0	0	1199813796	0	1780005152	1827143394	2038328964	2002967033	1777030852	2442320704	2809871216
pyrroline hydroxycarboxylic acid	22193481.08	35552738.18	30973313.66	19641620.55	45578688.97	51262270.54	32371991.75	30387592.19	15910701.21	13653648.85	23868658.26	40466237.7
pyruvic acid	125119879.9	226432268.2	188125864.5	151532970.2	234063295.7	269869229.7	180898987.8	178173485.7	113577307.8	100034787	213007835.2	432929828.8
quinolinic acid	42109.79051	0	30653.16269	11640.8308	0	105288.4296	0	0	0	25429.56818	0	19768.29763
S-adenosyl-L-homocysteine	0	0	0	0	0	0	0	0	0	0	0	0
S-adenosyl-L-methionine+	6093078.54	9212455.658	4489277.202	4192735.832	34368029.39	39333395.84	27406194.82	23573970.73	3112554.929	2021579.904	2842330.134	2724277.773
S-adenosylmethioninamine+	8941.370789	0	0	0	21150.17895	39871.82353	10022.17018	16510.32218	0	0	0	18499.54458
SAICAR	0	0	0	0	70735.30495	41345.81074	61063.29269	39381.4785	0	0	0	0
sarcosine	3766826.05	0	60934592.07	0	54055485.16	75747085.91	118213347.8	0	56971230.08	30495406.59	0	77874737
serine	10783924.87	20116703.05	14749390.97	9518469.527	22463207.92	22390112.41	13774998.83	13193113.92	6723374.593	6363555.881	12975438.66	20248326.14
serotonin	21374.96114	38159.93533	24295.19831	51193.04761	43842.37169	62220.84616	84555.09661	28635.13777	65207.94555	131850.7206	23176.38631	98309.77744
sorbitol / galactitol / L-iditol / manitol	248739596.3	265890361.1	223197130.5	272852504.5	258673094.1	316965559.6	224646843	210559465.6	173857386.7	199204373.1	279134357.1	532909685.7
spermidine	169471201.1	70389696.52	42277204.14	176966715.9	7158414.757	54229420.27	52246010.8	40595769.02	57484279.72	39270285.34	39291893.12	31361938.12
spermine	729507.7926	230049.0006	402669.3697	1044847.388	0	303096.2302	308860.9344	231611.0639	754223.0562	585523.8781	544019.3177	665426.3456
succinic acid	46709895.28	66372813.1	51502357.89	42682705.6	69249452.54	72258097.08	55793259.73	50194787.15	33092913.51	41743524.8	46984074.33	59434616.07
succinic semialdehyde	0	0	0	0	0	0	0	0	0	0	0	0
succinyl-CoA	39291.00437	13291.20943	25689.84378	22125.04212	84489.41478	29989.30573	55663.7274	35173.26192	11000.27032	0	0	0
taurine	2849031823	1817835934	982702049.8	3069220098	1685046274	4694373593	4315901908	3857341971	3015280863	2828878274	3210153879	2674397297
thiamine+	0	0	0	0	0	0	0	0	0	0	0	0
thymidine	779270.3296	4764296.887	5407669.759	2708998.413	1489998.121	1269411.427	1031978.365	1040215.721	2440394.463	2642144.716	3133008.267	3970067.7
thymine	1059176.002	1071632.049	1463786.303	1741831.05	1908284.167	1393704.117	1754908.849	1968298.798	1816075.906	1387059.657	1341858.695	1844640.383
tryptamine	15952.59975	0	0	0	54021.76397	0	26276.32355	25480.31339	47250.51119	27487.91048	11176.92647	29722.60517
tryptophan	45480886.67	88112815.72	78981332.37	34986314.57	120764786.7	109656684.4	69102291.18	62081063.85	29726449.87	29786458.09	48977704.21	94341325.79
tyramine	1646034.507	910595.7173	967715.963	1069675.632	696878.848	1423089.691	1959517.496	846566.3399	410770.4173	661282.4691	891106.2409	1389793.611
tyrosine	544440108.3	568377437.2	310365510.9	488216663.2	124812029	876145301.2	606526275.9	455005757.9	411180180.6	377488774	600873841.8	936233689.5
UDP	2991598.608	3345467.647	2127625.583	2761636.353	7305371.048	9383435.527	6760213.319	6120360.209	2266128.092	1189597.227	1582595.655	1270454.743
UDP-D-glucose	7134227.082	10175714.52	4876044.222	5608751.753	11854290.43	18428471.13	16628741.69	14563711.09	5787976.608	3703599.647	5724217.852	4224874.048
UDP-N-acetyl-galactosamine/UDP-N-acetyl-glucosamine	10961150.01	11761041.85	9413201.691	9406358.423	19352047.69	22169218.51	17153365.3	17122995.49	7253520.886	6431710.922	10308273.16	10287800.59
UMP	14871848.64	13291056.31	15734105.9	13426658.42	43322923.71	47306272.8	31428729.14	28687384.45	7369459.059	7087994.021	14269047.14	13517225.72
uracil	12780400.12	19482996.47	20075919.06	9470272.356	23156483.31	25111848.47	16862920.82	16725651.14	8578680.711	8482993.694	14451357.81	22383267.78
urea	754477.6967	1984460.7	1096775.106	412632.2173	2739754.38	3512260.451	2008469.813	1186778.293	359331.001	365496.6451	608683.2714	1064863.46
uric acid	1834000.594	3273280.464	2748589.752	1701406.318	4558135.569	4911652.384	2443927.876	1980946.654	1372202.305	1370914.651	2609197.544	6593974.477
uridine	2119345.16	2442344.741	1888378.599	1719793.011	477451.0351	298967.1511	248272.764	304593.011	1328038.144	1176305.629	1843613.91	2324523.177
UTP	8452922.514	10875473.27	4068256.062	7394088.551	21123564.13	23460275.16	21562055.45	19160177.8	5464917.735	3196742.842	4711677.697	3543411.777
valine	629550466.3	289161861.7	292297805.8	632116703.1	222519056.1	1102706263	836707057.4	626678395.7	538796685.5	554718068.2	985403631.9	1495870143
xanthine	3222276.746	7193396.365	5389681.303	2135995.706	3669573.075	3533245.851	1416844.491	1419134.475	1865012.207	1738403.319	3728735.814	8757756.42
xanthosine	0	0	0	0	0	0	0	0	0	22002.12315	56526.82736	13375.31295
xanthurenic acid	0	0	0	0	0	0	0	0	0	0	0	7210.489384
XMP	65012.07878	74937.80411	0	70439.84906	206143.6383	176933.7408	63395.8973	256565.8742	48566.34427	0	53305.63115	12172.17961
y-glutamylcysteine	0	0	0	0	0	0	0	0	0	0	0	0
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
(S)-4-hydroxymandelonitrile
1,3-bisphospho-D-glycerate
1-methylnicotinamide+
1-phenylethylamine
2- / 3-phosphoglycerate
2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine
2,3-bisphospho-D-glycerate
2-aminobutanoate / 2-aminoisobutanoate
2-HG
2-hydroxybutanoic acid
2-keto-isovaleric acid
2-ketovaleric acid
2-oxoadipic acid
2-oxobutanoic acid
3- / 4 -hydroxybutanoic acid
3- / 4-hydroxyphenylacetic acid / vanillin /
3- / 7-methylguanine
3,4-dihydroxymandelic acid
3,4-dihydroxyphenylpropanoate
3-aminoisobutanoate
3-hydroxy-anthranilic acid
3-hydroxykynurenine
3-hydroxypropanoic acid
3-methoxytyramine
3-phosphohydroxypyruvic acid
3-phospho-serine
3-ureidopropionic acid
4-hydroxyphenylpyruvic acid
4-hydroxyproline / 5-aminolevulinate / N-acetyl-b-alanine
4-phosphopantothenate
4-trimethylammoniobutanoate+
5,6-dihydroxyindole
5-methylcytosine
5-methyl-THF
5'-methylthioadenosine
6-aminocaproic acid
6-methylnicotinamide
6-O-methylguanine
6-phosphogluconic acid
6-phosphoglucono-D-lactone
acetoacetic acid
acetylcholine+
acetyl-CoA
aconitic acid
adenine
adenosine
adenylosuccinate
ADP / dGDP
ADP-D-glucose
agmatine
AICA ribonucleotide
a-KG
alanine
alanine methyl ester
allantoin
AMP / dGMP
anandamide
arginine
ascorbic acid
asparagine
aspartic acid
ATP / dGTP
b-alanine
betaine
butyric acid
butyric acid(iso)
carbamoyl phosphate
carnitine+
CDP
CDP-choline
cGMP
choline+
citraconic acid
citramalic acid
citrate / citrate(iso)
citrulline
CMP
cortisol
creatine
creatinine
CTP
cystathionine
cysteine
cysteine-S-sulfate
cystine
cytidine
cytosine
dADP
dAMP
D-arabinono-1,4-lactone
dATP
dCDP
dCMP
dCTP
dehydroascorbic acid
deoxyguanosine
deoxyinosine
deoxyuridine
D-erythrose-4-phosphate
D-galactonic acid / D-gluconic acid
D-galactosamine/glucosamine-1-phosphate
D-galactosamine/glucosamine-6-phosphate
dihydroorotate
dimethylglycine
DL-DOPA
DOPAC
DOPAL
dopamine
dopamine quinone
DOPEG
DOPET
D-ribose-1/5-phosphate / D-ribulose 5-phosphate
D-sedoheptulose-7-phosphate
dTMP
dTTP
dUMP
dUTP
epinephrine
ethyl acetate
F-1,6/2,6-DP
F1P
F6P / G1P / G6P
FAD
FMN
folic acid
fructose / mannose
fumaric acid
GABA
galactosamine / glucosamine
galactose / glucose
GalNAC/GlcNAC/ManNAC
GAP / DHAP
GDP
GDP-L-fucose
glucono-lactone
glutaconic acid
glutamine
glutaminic acid
glutathione
glutathione disulfide
glyceraldehyde
glyceric acid
glycerol 2/3-phosphate
glycine
glycylglycine
GMP
GTP
guanidine
guanidinoacetate
guanine
guanosine
gulonic-lactone
histamine
histidine
homocysteine
homoserine / theronine
homovanillic acid
hydroxyphenyllactic acid
hypoxanthine
IDA
IDP
imidazole-4-acetate
IMP
inosine
isonictinic acid
itaconic acid
kynurenic acid
kynurenine
lactic acid
L-arginino-succinate
L-cysteic acid
leucine / leucine(iso)
levulinic acid
L-NMMA
L-tyrosine methyl ester
lysine
maleic acid
malic acid
malonyl-CoA
mesaconic acid
methionine
methyl acetoacetate
methylglyoxal
methylmalonic acid
mevalonic acid
N1/N8-acetylspermidine
N-acetylaspartic acid
N-acetylaspartylglutamic acid
N-acetyl-DL-alanine
N-acetyl-DL-serine
N-acetyl-dopamine
N-acetylglucosamine 1/6-phosphate
N-acetyl-L-glutamic acid
NAD+
NADH
NADP+
NADPH
N-carbamoyl-L-aspartate
nebularine
nicotinamide
nicotinamide riboside+
nicotinic acid
N-methyltryptamine
NMN
norepinephrine
O-acetyl-L-serine
octopamine
ornithine
orotic acid
orotidylic acid
oxalacetic acid
pantothenic acid
phenethylamine
phenylalanine
phenylephrine / synephrine
phosphocreatine
phosphoenolpyruvate
phosphorylcholine+
picolinic acid
proline
propionic acid
PRPP
pseudouridine
putrescine
pyridoxine
pyroglutamic acid
pyrroline hydroxycarboxylic acid
pyruvic acid
quinolinic acid
S-adenosyl-L-homocysteine
S-adenosyl-L-methionine+
S-adenosylmethioninamine+
SAICAR
sarcosine
serine
serotonin
sorbitol / galactitol / L-iditol / manitol
spermidine
spermine
succinic acid
succinic semialdehyde
succinyl-CoA
taurine
thiamine+
thymidine
thymine
tryptamine
tryptophan
tyramine
tyrosine
UDP
UDP-D-glucose
UDP-N-acetyl-galactosamine/UDP-N-acetyl-glucosamine
UMP
uracil
urea
uric acid
uridine
UTP
valine
xanthine
xanthosine
xanthurenic acid
XMP
y-glutamylcysteine
METABOLITES_END
#END