#METABOLOMICS WORKBENCH cmann_20250320_065355 DATATRACK_ID:5754 STUDY_ID:ST003813 ANALYSIS_ID:AN006270 PROJECT_ID:PR002385
VERSION             	1
CREATED_ON             	March 25, 2025, 2:28 pm
#PROJECT
PR:PROJECT_TITLE                 	Sulfur Amino Acid Restriction Enhances Exercise Capacity in Mice by Boosting Fat
PR:PROJECT_TITLE                 	Oxidation in Muscle
PR:PROJECT_SUMMARY               	Dietary restriction of the sulfur-containing amino acids methionine and cysteine
PR:PROJECT_SUMMARY               	(SAAR) improves body composition, enhances insulin sensitivity, and extends
PR:PROJECT_SUMMARY               	lifespan; benefits seen also with endurance exercise. Yet, the impact of SAAR on
PR:PROJECT_SUMMARY               	skeletal muscle remains largely unexplored. Here we demonstrate that one week of
PR:PROJECT_SUMMARY               	SAAR in sedentary, young, male mice increases endurance exercise capacity.
PR:PROJECT_SUMMARY               	Indirect calorimetry showed that SAAR increased lipid oxidation at rest and
PR:PROJECT_SUMMARY               	delayed the onset of carbohydrate utilization during exercise. Transcriptomic
PR:PROJECT_SUMMARY               	analysis revealed increased expression of genes involved in fatty acid
PR:PROJECT_SUMMARY               	catabolism especially in glycolytic muscle following SAAR. These findings were
PR:PROJECT_SUMMARY               	functionally supported by increased fatty acid circulatory turnover flux and
PR:PROJECT_SUMMARY               	muscle β-oxidation. Reducing lipid uptake from circulation through endothelial
PR:PROJECT_SUMMARY               	cell (EC)-specific CD36 deletion attenuated the running phenotype.
PR:PROJECT_SUMMARY               	Mechanistically, VEGF-signaling inhibition prevented exercise increases
PR:PROJECT_SUMMARY               	following SAAR, without affecting angiogenesis, implicating noncanonical VEGF
PR:PROJECT_SUMMARY               	signaling and EC CD36-dependent fatty acid transport in regulating exercise
PR:PROJECT_SUMMARY               	capacity by influencing muscle substrate availability.
PR:INSTITUTE                     	Princeton University
PR:DEPARTMENT                    	Department of Chemistry
PR:LABORATORY                    	Prof. Dr. Joshua Rabinowitz
PR:LAST_NAME                     	Mann
PR:FIRST_NAME                    	Charlotte G.
PR:ADDRESS                       	Joseph Stelzmann Strasse 26, 50931 Cologne, Germany
PR:EMAIL                         	cmann5@uni-koeln.de
PR:PHONE                         	+49 221 478-84102
#STUDY
ST:STUDY_TITLE                   	Sulfur Amino Acid Restriction Enhances Exercise Capacity in Mice by Boosting Fat
ST:STUDY_TITLE                   	Oxidation in Muscle - extensor digitorum longus (EDL) versus soleus (Sol) on Con
ST:STUDY_TITLE                   	and SAAR diet metabolomics
ST:STUDY_SUMMARY                 	Dietary restriction of the sulfur-containing amino acids methionine and cysteine
ST:STUDY_SUMMARY                 	(SAAR) improves body composition, enhances insulin sensitivity, and extends
ST:STUDY_SUMMARY                 	lifespan; benefits seen also with endurance exercise. Yet, the impact of SAAR on
ST:STUDY_SUMMARY                 	skeletal muscle remains largely unexplored. Here we demonstrate that one week of
ST:STUDY_SUMMARY                 	SAAR in sedentary, young, male mice increases endurance exercise capacity.
ST:STUDY_SUMMARY                 	Indirect calorimetry showed that SAAR increased lipid oxidation at rest and
ST:STUDY_SUMMARY                 	delayed the onset of carbohydrate utilization during exercise. Transcriptomic
ST:STUDY_SUMMARY                 	analysis revealed increased expression of genes involved in fatty acid
ST:STUDY_SUMMARY                 	catabolism especially in glycolytic muscle following SAAR. These findings were
ST:STUDY_SUMMARY                 	functionally supported by increased fatty acid circulatory turnover flux and
ST:STUDY_SUMMARY                 	muscle β-oxidation. Reducing lipid uptake from circulation through endothelial
ST:STUDY_SUMMARY                 	cell (EC)-specific CD36 deletion attenuated the running phenotype.
ST:STUDY_SUMMARY                 	Mechanistically, VEGF-signaling inhibition prevented exercise increases
ST:STUDY_SUMMARY                 	following SAAR, without affecting angiogenesis, implicating noncanonical VEGF
ST:STUDY_SUMMARY                 	signaling and EC CD36-dependent fatty acid transport in regulating exercise
ST:STUDY_SUMMARY                 	capacity by influencing muscle substrate availability. Here we performed
ST:STUDY_SUMMARY                 	metabolomics using EDL and Sol to evaluate the systemic effects of the diet on
ST:STUDY_SUMMARY                 	muscle metabolites. One week of dietary treatment was not sufficient to
ST:STUDY_SUMMARY                 	significantly alter a wide range of metabolites. However, known metabolites
ST:STUDY_SUMMARY                 	downstream of the methionine cycle, such as taurine, were significantly
ST:STUDY_SUMMARY                 	affected. Additionally, ophthalmic acid—which has been reported to compensate
ST:STUDY_SUMMARY                 	for glutathione loss under protein restriction (MacArthur et al., 2022;
ST:STUDY_SUMMARY                 	https://doi.org/10.1016/j.celrep.2022.111187)—exhibited significant
ST:STUDY_SUMMARY                 	upregulation, highlighting the robustness of the data.
ST:INSTITUTE                     	Princeton University
ST:DEPARTMENT                    	Department of Chemistry
ST:LABORATORY                    	Prof. Dr. Joshua Rabinowitz
ST:LAST_NAME                     	Mann
ST:FIRST_NAME                    	Charlotte Greta
ST:ADDRESS                       	Joseph Stelzmann Strasse 26, 50931 Cologne, Germany
ST:EMAIL                         	cmann5@uni-koeln.de
ST:PHONE                         	+49 221 478-84102
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	c57bl/6j
SU:AGE_OR_AGE_RANGE              	14 weeks
SU:GENDER                        	Male
SU:ANIMAL_FEED                   	Con versus SAAR diet
#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	1	Sample source:Mouse EDL muscle | Diet:Con	RAW_FILE_NAME(Raw file name )=1.mzXML
SUBJECT_SAMPLE_FACTORS           	2	2	Sample source:Mouse EDL muscle | Diet:SAAR	RAW_FILE_NAME(Raw file name )=2.mzXML
SUBJECT_SAMPLE_FACTORS           	3	3	Sample source:Mouse EDL muscle | Diet:Con	RAW_FILE_NAME(Raw file name )=3.mzXML
SUBJECT_SAMPLE_FACTORS           	4	4	Sample source:Mouse EDL muscle | Diet:SAAR	RAW_FILE_NAME(Raw file name )=4.mzXML
SUBJECT_SAMPLE_FACTORS           	6	5	Sample source:Mouse EDL muscle | Diet:Con	RAW_FILE_NAME(Raw file name )=5.mzXML
SUBJECT_SAMPLE_FACTORS           	8	6	Sample source:Mouse EDL muscle | Diet:SAAR	RAW_FILE_NAME(Raw file name )=6.mzXML
SUBJECT_SAMPLE_FACTORS           	10	7	Sample source:Mouse EDL muscle | Diet:Con	RAW_FILE_NAME(Raw file name )=7.mzXML
SUBJECT_SAMPLE_FACTORS           	12	8	Sample source:Mouse EDL muscle | Diet:SAAR	RAW_FILE_NAME(Raw file name )=8.mzXML
SUBJECT_SAMPLE_FACTORS           	14	9	Sample source:Mouse EDL muscle | Diet:Con	RAW_FILE_NAME(Raw file name )=9.mzXML
SUBJECT_SAMPLE_FACTORS           	16	10	Sample source:Mouse EDL muscle | Diet:SAAR	RAW_FILE_NAME(Raw file name )=10.mzXML
SUBJECT_SAMPLE_FACTORS           	18	11	Sample source:Mouse EDL muscle | Diet:Con	RAW_FILE_NAME(Raw file name )=11.mzXML
SUBJECT_SAMPLE_FACTORS           	20	12	Sample source:Mouse EDL muscle | Diet:SAAR	RAW_FILE_NAME(Raw file name )=12.mzXML
SUBJECT_SAMPLE_FACTORS           	1	13	Sample source:Mouse Soleus muscle | Diet:Con	RAW_FILE_NAME(Raw file name )=13.mzXML
SUBJECT_SAMPLE_FACTORS           	2	14	Sample source:Mouse Soleus muscle | Diet:SAAR	RAW_FILE_NAME(Raw file name )=14.mzXML
SUBJECT_SAMPLE_FACTORS           	3	15	Sample source:Mouse Soleus muscle | Diet:Con	RAW_FILE_NAME(Raw file name )=15.mzXML
SUBJECT_SAMPLE_FACTORS           	4	16	Sample source:Mouse Soleus muscle | Diet:SAAR	RAW_FILE_NAME(Raw file name )=16.mzXML
SUBJECT_SAMPLE_FACTORS           	6	17	Sample source:Mouse Soleus muscle | Diet:Con	RAW_FILE_NAME(Raw file name )=17.mzXML
SUBJECT_SAMPLE_FACTORS           	8	18	Sample source:Mouse Soleus muscle | Diet:SAAR	RAW_FILE_NAME(Raw file name )=18.mzXML
SUBJECT_SAMPLE_FACTORS           	10	19	Sample source:Mouse Soleus muscle | Diet:Con	RAW_FILE_NAME(Raw file name )=19.mzXML
SUBJECT_SAMPLE_FACTORS           	12	20	Sample source:Mouse Soleus muscle | Diet:SAAR	RAW_FILE_NAME(Raw file name )=20.mzXML
SUBJECT_SAMPLE_FACTORS           	14	21	Sample source:Mouse Soleus muscle | Diet:Con	RAW_FILE_NAME(Raw file name )=21.mzXML
SUBJECT_SAMPLE_FACTORS           	16	22	Sample source:Mouse Soleus muscle | Diet:SAAR	RAW_FILE_NAME(Raw file name )=22.mzXML
SUBJECT_SAMPLE_FACTORS           	18	23	Sample source:Mouse Soleus muscle | Diet:Con	RAW_FILE_NAME(Raw file name )=23.mzXML
SUBJECT_SAMPLE_FACTORS           	20	24	Sample source:Mouse Soleus muscle | Diet:SAAR	RAW_FILE_NAME(Raw file name )=24.mzXML
SUBJECT_SAMPLE_FACTORS           	-	b1	Sample source:blank | Diet:-	RAW_FILE_NAME(Raw file name )=b_20231122171436.mzXML
SUBJECT_SAMPLE_FACTORS           	-	b2	Sample source:blank | Diet:-	RAW_FILE_NAME(Raw file name )=b_20231122174020.mzXML
SUBJECT_SAMPLE_FACTORS           	-	B3	Sample source:blank | Diet:-	RAW_FILE_NAME(Raw file name )=b_20231122231455.mzXML
#COLLECTION
CO:COLLECTION_SUMMARY            	Tissues were collected and snap-frozen in liquid nitrogen.
CO:SAMPLE_TYPE                   	Muscle
#TREATMENT
TR:TREATMENT_SUMMARY             	Wild type (WT) C57BL/6J were purchased from Charles River (Freiburg im Breisgau,
TR:TREATMENT_SUMMARY             	Germany). Experimental diets were based on Research Diets D12450J with
TR:TREATMENT_SUMMARY             	approximately 18% of calories from protein, 10% from fat and 72% from
TR:TREATMENT_SUMMARY             	carbohydrates. SAAR diets containing 1.15g methionine (M)/kg food and lacking
TR:TREATMENT_SUMMARY             	cysteine (C) (Miller et al., 2005, DOI: 10.1111/j.1474-9726.2005.00152.x ) in
TR:TREATMENT_SUMMARY             	the context of a 17% protein/ 73% carbohydrate calorie diet were provided Ad
TR:TREATMENT_SUMMARY             	Libitum (AL). Food intake was monitored daily during experiments. The Research
TR:TREATMENT_SUMMARY             	Diets product number for the control diet is A17101101 and for SAAR diet is
TR:TREATMENT_SUMMARY             	A17101103.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolite extraction of tissues Frozen tissue pieces were pulverized using a
SP:SAMPLEPREP_SUMMARY            	Cryomill (Retsch) at cryogenic temperature. Ground tissue was weighed (10–20
SP:SAMPLEPREP_SUMMARY            	mg) and transferred into a precooled tube for extraction. Soluble metabolites
SP:SAMPLEPREP_SUMMARY            	extraction was done by adding −20 °C 40:40:20 methanol:acetonitrile:water to
SP:SAMPLEPREP_SUMMARY            	the resulting powder (40 μl solvent per mg tissue). Samples were vortexed for
SP:SAMPLEPREP_SUMMARY            	10 seconds, cooled at 4°C (on wet ice) for 20 minutes and then centrifuged at 4
SP:SAMPLEPREP_SUMMARY            	°C at 20,000 x g for 30 minutes. Supernatant was transferred to LC–MS vials
SP:SAMPLEPREP_SUMMARY            	for analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Solvent A was maintained at pH 9.4
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Dionex
CH:COLUMN_NAME                   	Waters XBridge BEH Amide (100 x 2.1mm,2.5um)
CH:SOLVENT_A                     	95% water/5% acetonitrile; 20 mM ammonium acetate; 20 mM ammonium hydroxide
CH:SOLVENT_B                     	100% acetonitrile
CH:FLOW_GRADIENT                 	0 minutes, 85% B; 2 minutes, 85% B; 3 minutes, 80% B; 5 minutes, 80% B; 6
CH:FLOW_GRADIENT                 	minutes, 75% B; 7 minutes, 75% B; 8 minutes, 70% B; 9 minutes, 70% B; 10
CH:FLOW_GRADIENT                 	minutes, 50% B; 12 minutes, 50% B; 13 minutes, 25% B; 16 minutes, 25% B; 18
CH:FLOW_GRADIENT                 	minutes, 0% B; 23 minutes, 0% B; 24 minutes, 85% B; 30 minutes, 85% B
CH:FLOW_RATE                     	150 μl min−1
CH:COLUMN_TEMPERATURE            	25°C
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Orbitrap Exploris 480
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	MS full scans were in negative or positive ion mode with a resolution of 140,000
MS:MS_COMMENTS                   	at m/z 200 and scan range of 70–1,000 m/z. The automatic gain control (AGC)
MS:MS_COMMENTS                   	target was 1 × 106. LC-MS peak files were analyzed and visualized with El-MAVEN
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	ion count
MS_METABOLITE_DATA_START
Samples	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20	21	22	23	24	b1	b2	B3
Factors	Sample source:Mouse EDL muscle | Diet:Con	Sample source:Mouse EDL muscle | Diet:SAAR	Sample source:Mouse EDL muscle | Diet:Con	Sample source:Mouse EDL muscle | Diet:SAAR	Sample source:Mouse EDL muscle | Diet:Con	Sample source:Mouse EDL muscle | Diet:SAAR	Sample source:Mouse EDL muscle | Diet:Con	Sample source:Mouse EDL muscle | Diet:SAAR	Sample source:Mouse EDL muscle | Diet:Con	Sample source:Mouse EDL muscle | Diet:SAAR	Sample source:Mouse EDL muscle | Diet:Con	Sample source:Mouse EDL muscle | Diet:SAAR	Sample source:Mouse Soleus muscle | Diet:Con	Sample source:Mouse Soleus muscle | Diet:SAAR	Sample source:Mouse Soleus muscle | Diet:Con	Sample source:Mouse Soleus muscle | Diet:SAAR	Sample source:Mouse Soleus muscle | Diet:Con	Sample source:Mouse Soleus muscle | Diet:SAAR	Sample source:Mouse Soleus muscle | Diet:Con	Sample source:Mouse Soleus muscle | Diet:SAAR	Sample source:Mouse Soleus muscle | Diet:Con	Sample source:Mouse Soleus muscle | Diet:SAAR	Sample source:Mouse Soleus muscle | Diet:Con	Sample source:Mouse Soleus muscle | Diet:SAAR	Sample source:blank | Diet:-	Sample source:blank | Diet:-	Sample source:blank | Diet:-
Glyoxylic acid	1090936.5	896369	681879.38	619410.56	965257.69	16489.01	27107.35	889703.19	945741	20642.89	903258	1028123	38316.62	996989.19	1755634.88	916815.25	931583.19	922880.5	25349.95	1178266.88	1199399.12	1066684.38	519671.03	54531.45	3652.42	4445.87	3778.86
Glycine	10824983	9858339	8089872	9774627	9147395	168681.95	427915.09	9088201	7481273.5	323805.84	7595138.5	9257617	198857.62	3389346	4225938.5	3765488.25	2975664.25	2632520	463933.66	4748997.5	3623488	4034817.75	2216667.25	290270.62	10756.56	8612.03	24757.62
Glycolic acid	953973.06	959116.94	871664.31	849813.5	1083099	245913.5	229296.62	809413.5	842240.94	175126.06	771481.69	852108.31	138863.34	471990.34	559424.44	492834.59	640653.19	361754.25	181159.5	681992	730769	603953.06	367301.16	181462.55	95300.56	102352.88	69510.54
Pyruvic acid	405441824	288445600	304754336	325768096	364820640	9408273	19163298	237584128	215997888	17154106	257935024	343009760	8409563	62166624	61393888	67719304	76097304	60103164	11454175	84642240	48827060	36760436	78498400	12137023	1576172.62	1299558	1295497.62
Acetoin	136022.34	157068.06	132980.19	109252.48	149568.05	17291.92	19373.59	151752.83	124951.45	13515.47	123725.34	128038.3	42801.89	240525.14	441353.53	206420.25	456484.25	325824.72	25960.77	541242.69	386777.91	465039.5	215621.98	44742.99	10656.42	11751.96	11129.13
L-Alanine	408732384	417861792	350625120	353667104	426125952	13859595	46242916	378523648	401139200	29109066	359534048	412515488	28000776	274496800	294337344	260668992	236031792	229316880	26819942	285954400	275852064	285524640	171684960	42847828	28592.35	13875.45	82318.38
Glycerol	35818.82	45052.67	53533.64	29174.6	44946.47	5156.5	6110.32	69605.27	44768.31	5591.85	32105.78	33904.33	2593.68	19244.61	41014.7	16829.95	27606.17	36380.33	4175.78	50683.1	47533.56	34005.78	26829.16	5164.41	418.67	448.91	343.29
Tiglic acid	108571.69	112430.57	101260.24	85351.2	89682.81	318732.25	426068.84	86758.73	93341.26	757653.31	138970.55	61440.03	1079858.5	226130.98	95126.65	86648.18	81987.05	250973.83	801606	87717.95	58141.34	94627.71	50125.28	320658.72	100566.99	69820.59	85620.12
Gamma-Aminobutyric acid	1980789	1809605.62	1624668.62	1536521.5	1686016.88	29130.2	103592.32	1876741.12	1586025.12	105302.26	1791442.62	1780034.62	339981.41	4163500	5318992.5	4064699.25	3489434	3115524	270938.03	3875167.25	4156587	5844178	2150408.75	677370.56	14391.53	17471.96	18238.01
Dimethylglycine	1980789	1809605.62	1624668.62	1536521.5	1686016.88	29130.2	103592.32	1876741.12	1586025.12	105302.26	1791442.62	1780034.62	339981.41	4163500	5318992.5	4064699.25	3489434	3115524	270938.03	3875167.25	4156587	5844178	2150408.75	677370.56	14391.53	17471.96	18238.01
Malonic acid	1997380	1642609.38	1585301.88	1242147.88	1762577.88	692002.88	658003.56	1401665.62	1675116.38	602662.31	1894637.38	1623264.38	720525.94	2038209.5	3220601.25	1589376.62	1994632.38	2024726.62	839395.94	2145428	2175312.25	2282697.75	1364208.12	812566.44	347317.97	320404.97	352682.25
Hydroxypyruvic acid	240445.23	302172.84	225190.83	241684	285098.31	27916.38	77362.18	128039.56	269415.66	84114.95	259530.61	163677.92	202414.64	758582.5	722162	608491.62	636380.12	684527.19	100564.48	742696.81	606714.5	741263.19	383135.91	168124.23	5443.39	1801.69	6879.54
L-Serine	3076281	3909807.25	3291184.25	3652751.25	2883743.75	245161.58	436894.75	3747700	2752820.25	426913.22	2382606	2844940	355677.84	3507872.75	4895814	4159038.75	2451446	3228280	386970.66	4347590	3241375.25	4807258	2413648.25	532562.56	20579.71	6069.44	16196.41
Glyceric acid	692524.19	851522.81	501365.62	699231.19	707887.44	68082.69	69047.48	612738.06	747018.25	45961.27	734436.5	563627.06	60148.53	450554.66	476480.41	464920.91	387471.41	343085.91	74681.44	482032	456868.25	398696.34	224064.55	77523.77	21964.35	19728.89	21468.09
Hypotaurine	58828.77	87733.91	10156.85	7532.76	42551.28	0	0	2470.38	28666.81	0	22856.26	21112.99	0	98066.31	94467.31	64434.7	84957.44	29681.52	558.76	46526.12	200459.89	48191.74	21125.29	477.23	0	0	0
Cytosine	57650.75	69760.38	62412.69	69303	89636.16	3481.82	4993.98	60206.37	70373.65	3832.49	52469.06	96764.99	6134.5	61971.37	60552.45	55627.5	47681.25	37679.25	5335.05	79077.88	68292.3	58171.44	34433.92	8403.92	1612.35	1861.31	2508.2
Histamine	1386810.38	1477465.62	1170701.62	1294638.88	1206919.88	50560.42	173457.8	1053379.75	1204107.12	125663.27	1023808.31	1433427.5	6693.09	56330.49	86749.88	78737.28	43276.65	48371.11	30637.12	74153.09	54490.41	55325.64	51269.49	17348.62	0	0	2480.68
Uracil	539987.94	625997	557591.94	503121	570372.06	57885.62	113736.71	389261.62	537972.19	62651.44	471649.84	570542.56	83062.03	643824	705387.56	383970.5	410753.34	384924	83064.73	409201.84	623495.94	492557.5	294103.88	141546.09	7469.83	4877.29	9928.54
1-Pyrroline-5-carboxylic acid	30848.35	30106.52	26519.54	35578.05	52096.25	4613.08	7375.86	40351.11	44282.69	5297.95	18101.37	33882.06	2526.1	25625.82	24212.06	14053.62	25360.66	17190.62	3220.12	42384.36	16785.66	16690.09	25674.65	4248.47	1397.22	589.67	1218.89
Dihydrouracil	324850.38	364093.25	421551.59	446405.66	406254.84	88011.45	169195.52	84590.13	451160.53	228047.42	467600	327677.09	344911.16	1019299	774230	889176.25	928146.69	826341.31	273001.41	860277.69	805938.56	774620.81	1006564.31	412968.12	89205.3	83143.28	110415.85
L-Proline	7394012.5	8548058	6736142.5	8002848	8577037	160222.05	409087.12	7944538	7143427.5	366412.41	6740401.5	9024707	199468.58	2585500	3411417.25	3559533.75	2373566	2438870.25	225767.55	4014060	2957742	3384031.75	2104772.75	359351.88	5472.68	2271.66	19406.84
Fumaric acid	29072182	24527922	20191158	17158928	26310362	115907.98	292762.78	26592062	26868152	262929.22	26326368	25664714	640514.75	29282704	48477964	25236642	27747802	26289184	512252.09	30206848	33001542	33989212	14517104	1118814.38	25184.1	24161.54	45871.44
Acetylglycine	990626.44	1006017.5	1186163.12	1050794.5	888397.56	85672	104943.51	964281.69	987108.56	110940.09	908942.19	1715200.62	110081.87	559629.19	960883.56	598911.75	529431.69	604107.06	133857.36	1143131.88	818444.69	897725.19	518812.97	187281.56	40616.33	43092.99	38772.59
Guanidoacetic acid	42514.61	37113.66	26593.95	31820.24	47849.4	4358.81	8453.94	53041.57	28943.38	8232.47	45369.2	40411.31	6929.24	30104.65	30674.51	29980.28	30810.43	26780.87	5757.53	40692.7	25146.57	38319.44	32599.22	5543.63	222.46	289.2	1320.37
L-Valine	9550515	10514216	7821072	11026477	10074799	159404.92	384060.16	9462908	8933174	354785.22	8333765.5	13153281	295873.72	5164181	5981477.5	6449510	4800358	4554572	312594.91	6978426.5	7181853.5	6627098	3740937	664958.06	14434.36	13775.1	25413.21
Mesoxalic acid	60203.39	50791.5	43049.41	43425.96	45947.29	6622.71	7947.72	43669.1	46422.98	8430.63	44023.93	71954.26	6105.94	37667.8	44662.81	42691.08	36951.05	28536.96	5061.2	39931	56867.56	44747.11	27218.97	7058.49	3403.54	2852.55	7983.07
Methylmalonic acid	155937904	193146800	104278176	149830896	153251056	4572290	15622284	168450736	165394768	7317726	125417992	131542568	23447386	188228944	164655488	122322984	144263856	157074432	12467484	179537456	186504400	172354128	79078112	26414566	364642.09	309205.81	364392.25
Succinic acid	123692832	165328016	84692864	118581656	123144640	1926068.88	5540213.5	124709928	125650216	3309665.75	97071256	102931304	9786259	147648000	127967936	95678424	106068448	114905992	5948400	130223424	135786688	130036520	52975948	13653621	59070.81	34841.98	71699.37
2-Hydroxyvaleric acid	10793763	14524359	14127592	8834584	10441881	1093389.38	2092663.62	13475072	12753429	2581805	15650960	15152623	1987396.88	9506193	10131162	7844278.5	7937687.5	8545990	1874643.88	15737175	11543049	11343537	8047170.5	3284341.25	786001.94	238904.39	142564.83
L-Homoserine	4453409.5	5665502.5	4948152.5	6203994	4145421.75	127665.93	334445.75	5568214	4363716.5	278720.41	3833122.75	5882768.5	256587.88	3533144.75	4558346.5	4636222.5	2222061.75	2836708	255927.38	3728880.25	2540999.25	3051172.75	2066262	479958.78	6547.38	3608.49	10551.79
L-Threonine	4453409.5	5665502.5	4948152.5	6203994	4145421.75	127665.93	334445.75	5568214	4363716.5	278720.41	3833122.75	5882768.5	256587.88	3533144.75	4558346.5	4636222.5	2222061.75	2836708	255927.38	3728880.25	2540999.25	3051172.75	2066262	479958.78	6547.38	3608.49	10551.79
4-Hydroxybenzaldehyde	2239405.75	2612113.25	2399028.25	2138004.25	2505764.25	807370.81	714963.5	2620266.5	2528698.75	731907	2293614	2161831.75	903509.19	3605365.75	3914062.75	3691646.75	3386298.75	3242539.75	920618.19	5070163.5	4159277.25	3549440.75	2027139	1364906.5	382907.34	351081.84	285973.44
Niacinamide	1247744.38	1128594.25	1823588.62	2368661	1296713.38	30475.74	60186.82	1049414.25	2012952.38	45376.07	1531115.62	3341737	64990.56	2076363	2750375.25	2445587.75	1752625.62	1495818.38	153113.03	3265555.25	1654794.38	1570060.38	2614732.25	319399.88	18365.3	10514.45	43987.62
Threitol	26274.25	28859.16	21026.91	18828.78	26457.32	535.93	814.28	23075.1	19516.88	1770.87	20305.96	29978.63	635.11	14237.29	15242.18	18663.83	13572	10019.44	1197.76	35433.46	22257.3	18500.64	14512	1113.92	544.98	340.27	489.11
Taurine	1768959872	1788298240	1463796224	1706477568	1635270656	114606200	323761632	1640562304	1725246464	243038480	1608230272	1688401280	272581152	1399238656	1500833792	1298946944	1219904640	1207288704	242826432	1488403456	1452820608	1492834688	981227328	331253600	208555.7	7194.09	386038.5
Thymine	184979	117579.53	134575.67	116241.44	78000.8	309616.81	122889.24	157762.19	119952.12	202819.08	112974	109379.27	62708.48	117148.12	136027.52	102749.52	104097.32	151455.67	703245.31	125046.19	77123.91	149878.3	88233.15	480445.72	11125.14	3236.28	10390.61
Pyroglutamic acid	5734941.5	9614275	10562467	8640573	6675628	1872212.88	1580289.62	5834260.5	7985082.5	1757051.88	5102338.5	8725933	879406	9354832	6375932	8713003	6778838.5	6175731.5	2184640.75	14127111	7157118.5	10599279	9212854	2933968.25	323554.53	102812.87	170040.17
Pipecolic acid	222105.55	243291.77	163077.61	135539.88	185390.83	3112.89	12590.28	141476.89	208637.55	7660.53	205837.52	191841.7	14771.9	160025.47	174300.34	114037.72	150456.77	108453.41	7770.33	161809.45	217541.95	173236.11	89294.31	11819.02	593.78	1137.21	1437.59
Citraconic acid	1498774.88	1599580.5	1604901.12	1087587.5	1693926.88	34170.55	102418.71	1249196.88	1306041.62	133054.89	1669228.38	1677244	106068.46	1865854.62	2627219.75	1636545	2272889	1564585.38	111566.35	2217912.75	2913670	2944898	982967.31	174064.81	13007.81	15637.97	13637.75
Propionylglycine	1889727.62	1490687	637845.75	989729.44	1725585.38	16937.76	68744.73	739802.06	1392990.5	65000.43	2916584.75	2379032.5	69163.49	614922	495911.75	451432.62	661644.44	300533.38	44498.07	406280	636670.06	473604.25	238305.3	60428.91	3486.56	2230.92	6353.81
5-Aminolevulinic acid	1889727.62	1490687	637845.75	989729.44	1725585.38	16937.76	68744.73	739802.06	1392990.5	65000.43	2916584.75	2379032.5	69163.49	614922	495911.75	451432.62	661644.44	300533.38	44498.07	406280	636670.06	473604.25	238305.3	60428.91	5994.06	6957.45	10447.88
Creatine	153645136	158173760	131477384	131678456	159857664	4450167.5	14669995	139537072	150422448	9108725	134721328	154184096	8549988	96250520	102659296	92455872	83480752	80370712	8227161.5	104730296	97997760	102589632	58576140	13517820	5406.39	217.94	16738.93
3-Methylindole	597385.44	522593.62	450265.41	522239.88	658023.69	5483.12	24510.38	693315.5	609181.06	26784.27	635289.25	728558.44	31149.32	481468.03	473401.91	459890.84	560245.06	306510.5	21022.82	687724.62	561577.81	567277.69	274848.59	52741.88	0	0	0
Oxalacetic acid	58457.54	57464.25	66877.8	50856.43	78443.95	1501.22	3884.25	52687.55	58899.22	3322.93	73781.71	59558.53	2753.08	81460.48	91746.98	57918.61	66166.63	60756.34	1507.25	73441.87	81023.45	91505.41	53117.2	2424.12	833.88	528.85	725.44
Glutaric acid	409679.97	417774.47	349027.97	283627.97	374133.66	111643.48	111886.73	371797.09	358262.16	81442.78	206367.86	337374.56	87591.77	435054.53	634543.5	473549.16	452209.03	436441.25	140728.92	719831.06	713730.5	580129.69	457435.78	141573.7	34042.39	30894.76	27241.41
Dimethylmalonic acid	175433.73	213727.8	156534.36	158238.14	189423.95	18349.46	19901.33	170308.8	156183.48	13160.22	160053.55	174141.33	25871.88	226875.2	364111.91	184665.38	378612.66	266673.78	23575.41	441429.97	333684.12	403395.25	173116.75	34929.1	4635.84	3762.94	5427.66
Ureidopropionic acid	527459.44	626220.19	383247.5	429399.75	508811.25	9567.04	19293.84	505813.84	367333.12	13625.45	304780.5	491086.34	8340.96	175264.67	248605.92	202084.55	172700.73	186160.36	12465.91	231830.23	173600.75	231367.88	141005.98	23641.04	1193.35	862.58	1094.35
L-Asparagine	1060730.88	1339494.38	863453.19	1008470.5	981245.5	33563.5	105016.3	1015310.56	895514.06	86094.15	795647.5	986661.31	130890.4	1295278.12	1549410.88	1408303	960976.69	966583.56	96422.88	1276785	1248865.88	1559012.5	673087.31	185729.8	2270.53	1516.46	4349.65
2-Hydroxycaproic acid	1042377.06	1463058.12	1296821.12	1204521	1037424.81	357126.72	375771.91	2051241	1248246.62	417017.25	1153904.38	1897737.38	313482.84	1051275.5	1128319.12	929620.19	870990.75	973862.75	470871.09	1897085.62	1114868.25	1293168.88	993990.5	634324.69	130818.38	101031.49	104061.09
Ornithine	421658.72	448491.66	436722.91	386796.16	548793.44	9277.82	19127.16	372225.75	401434.03	22644.13	533117.19	721165.69	17097.17	454512.16	611736.31	395527.97	322386	380810.84	23629.32	414372.22	379788.91	553657.62	239983	49829.86	1949.16	986.56	2628.64
L-Aspartic acid	5262413.5	2529496.75	2881403.75	3053933.25	3498073.25	266319.91	391009.97	4212555.5	4056262.25	711770.56	6248285.5	7312582.5	4162076.25	10699935	20280978	21447144	17113756	16577207	1881989.62	17362768	25069994	19723290	17101946	3670754.75	15952.6	14232.71	95603.45
L-Malic acid	256621888	218699664	180186608	153971504	230177136	866693	2551948	235128368	232067984	2273452	232233856	223435696	5566039.5	257317456	416065376	219104000	242944464	229913712	4640863.5	265847088	289218272	295617440	125832232	9626675	104741.27	94923.44	369991.25
Adenine	3212961	3512586.75	2919046	2572342.75	3546476	439831.28	365784.97	2133049.25	3745119.25	474803.41	3511647.75	4177848	752256.44	5482771.5	5427607.5	6202282.5	7904329.5	5294104	725632.81	9468955	6544916	5624552	7023512	1347805.38	5795.89	6506.58	305387.72
Threonic acid	1442511.38	1901105.5	1107789.5	1186850.38	1872690	94872.55	204240.3	1284685.62	1264832.75	157538.69	1601659	1428087.12	447687.12	4669788	5522587.5	3659316	3590422.25	3138471.25	254698.5	4282146.5	5023121.5	5353756	1625089.88	366741.25	3941.73	2085.53	6750.1
Hypoxanthine	1086111	1480102.38	850891.5	912373.31	1035565	38473.64	89920.81	977028.25	1954225.38	48546.95	731483.56	2052718.12	179145	2611187.75	2076779.38	1391403.62	2125973.75	1750714.38	133764.06	4219002.5	2669402.25	3320040.75	2765287	287220.47	6887.1	6006.51	7389.44
Urocanic acid	340711.69	965737.19	1727916.38	1080649.38	658655.81	224381	195488.45	580657.69	1090148.12	268874.94	409001.84	984445.44	120278.16	1158791.12	411652.62	1118091.5	782191.81	547355.31	273923.5	1984207.12	665643.75	1214615.62	1121657	510376.66	30559.97	5167.2	4478.21
Acetylphosphate	686328.94	422077.84	497873.84	707737.69	526576.12	23242.97	133396.12	684887.94	581655.94	45255.14	297763.09	614364.19	35898.82	334371.41	389600.75	327067.91	164831.69	246744.69	30245.5	323488.75	219332.12	171526.67	183027.17	33875.39	442.56	0	8394.23
Methylimidazoleacetic acid	8485.3	27522.73	76179.67	21060.29	73636.04	5401.28	6518.54	42952.77	11822.07	5946.92	53817.63	36079.92	3078.73	8601.39	48144.95	8221.69	46912.85	37108.33	4276.07	94075.29	25095.86	37943.26	27405.04	6641.77	2240.13	1838.66	3341.93
Carbamoyl phosphate	16310.55	27468.06	21842.38	27682.98	29491.06	5163.4	12599.28	26545.99	31791.4	10510.37	10962.35	27929.69	8446.76	20317.27	23964.28	30771.02	8066.65	18227.55	9744.13	23289.49	22410.15	27284.54	12643.22	10244.33	0	0	0
O-Phosphoethanolamine	1686358.38	1448641	1172295.12	1210200.88	1611850.62	17878.91	56797.38	1244469.38	1395115.12	60282.09	1391468.25	1819105.62	178916.77	2626193.5	3237676.75	2510806.25	2915311.25	2311200.25	105390.77	2239633.75	3196360.25	2964834.75	1386099.75	216481.75	442.1	0	7962.95
3-Methylglutaconic acid	839606	747978.75	668391.12	564509.69	691333.75	25581.55	104410.99	747333	726824.31	50946.75	331253.66	575072.25	81466.91	526639.94	612565.94	456640.5	356825.25	421093.03	61876.8	701945.5	634819.44	471296.38	662641	44429.56	4887.14	3441.32	3939.88
N-Butyrylglycine	104323.94	101566.27	164378.45	80389.88	98772.04	41571.04	41387.52	122552.09	150630.78	41142.04	135040.67	305751.28	40087.57	117254.7	167611.92	150952.8	149639.27	87962.94	38237.01	524613.69	432320.03	247600.89	102200.77	74024.02	33715.14	34801.94	31025.95
4-Trimethylammoniobutanoic acid	4890.11	6972.77	8934.81	7344.42	0	0	0	5095.54	6741.83	0	3773.79	8366.39	360.87	11435.69	16582.09	16803.56	14156.09	12364.53	932.85	20271.75	18955.08	20401.39	11596.75	1080.58	0	0	0
Oxoglutaric acid	950739.44	1155523.62	1150372	967079.31	1014577.25	10903.69	58237.24	1040271.25	784770.81	46331.8	1157024	998304.94	134511.97	1684747.38	1919140	1365169.62	1619808.38	1004015.31	93623.54	1688425.38	1568572.62	1870805.88	908106.69	160552.39	4063.2	3362.52	5400.33
L-Glutamine	80820824	83836808	67153096	79005920	70124408	1389336.88	5206236.5	75724136	62583184	3704328	57690720	61704972	4730698	77175240	92920888	81244184	49456724	63630176	4328747.5	82296200	67607608	80125480	45918992	7655516	6289.62	5704.07	38295.36
L-Lysine	2564827.25	2735678.75	2179261	2110398.5	2852257.25	41762.07	102991.65	1874545.62	2136404	117125.12	3359817.25	3981757.75	103478.27	2602513.75	2836415.25	2171085	1585723	1952742.38	115724.25	2028424.62	2019510.38	2655912.75	1097282.12	235539.25	2605.81	1122.32	14736
O-Acetylserine	874885	1252391.12	793128	863680.75	883513	22242.61	58822.25	801673.5	875158.31	37518.38	748566.5	1066373.5	16962.93	206027.44	281979.41	216880.17	163876.81	142198.64	23122.82	313329.84	238564.12	247433.38	148817.36	28509.65	10857.21	12825.28	10712.97
N-Acetylserine	3053661.25	4322441.5	2751493	2996235.25	3033700	125374.34	233434.17	2415463.25	3017204.25	187074.23	2595382.75	3122204.25	71335.02	707098.06	800882	648553.5	569824.31	495814.53	126429.26	1013431.31	741376.69	773600.06	459325.59	148865.28	20002.69	12459.17	9524.44
L-Glutamic acid	38472640	33653884	33556188	32097486	32519582	361818.34	1801298.38	37037236	30853384	1899453.62	36452740	35142340	6337077.5	78304632	103427840	80002272	67458144	60554292	4983590	76903368	83180728	111332832	40813676	12766837	7389.43	6664.38	26456.19
Citramalic acid	2696457.75	2624435.75	2489460.75	1800407	2778247.75	59268.09	108750.96	2782380.75	2696997.75	86073.37	2695933.75	2706906	555225.31	8649125	12059871	8021236	10089728	6178654.5	354636.75	8934069	13838952	13350864	3468443.25	856879.31	27520.6	28638.86	35776.35
Cinnamic acid	696898.12	681549.25	665693.5	784930.5	723122.94	11803.81	26970.15	661773.06	725618.81	27372.18	631474.56	941285	21727.72	367722.75	588897.56	463571.62	362385.62	319799.41	16518.02	511289.91	464809.41	421639.66	274944.81	36962.58	723.17	667.04	1613.97
Mevalonic acid	49934.5	121509.44	11872.58	182225.33	67694.95	6739.7	10351.25	132666.11	84809.73	6723.05	33430.14	66485.05	8939.89	48406.55	32151.21	21189.82	31413.76	23235.63	6961.7	61930.16	36746.3	54317.03	27645.34	8090.06	2393.83	2928.49	2068.46
D-Xylose	55887.62	108586.62	65155.23	66255.8	59932.2	49535.66	34093.57	31256.17	59460.79	22765.35	53144.72	78027.99	11541.22	55737.63	40943.47	47040.37	42482.99	39386.87	40957.98	87478.74	66614.62	63432.84	34318.95	29885.28	4112.73	3350.69	2580.92
D-Arabinose	227183.38	210676.62	168008.77	148311.75	181391.05	10759.95	14875.03	147062.72	168081.17	8181.83	82663.74	145723.03	12466.84	152920.31	138532.42	107620.88	104912.3	119260.79	11298.41	208002.45	184971	135328.48	178502.11	14850.05	3081.12	2991.22	2812.45
Glycerol-CH3COO	62860.94	57228.94	64759.08	37466.28	58746.38	3826.06	4804.32	57790.16	51390.46	3626.15	50729.8	42332.48	2855.4	31114.82	49451.65	17124.59	34840.58	26967.82	3925	36834.26	44636.33	35408.94	25854.88	5213.51	1109.03	737.94	580.49
Ribitol	386709.47	394947.88	298198.78	323545.31	400173.75	7113.66	17338.6	273125.22	369248.16	11082.8	305082.72	446551.72	18817.39	270857.97	349405.97	264410.28	259760.42	209431.23	16113.41	334841.66	342414.25	340225.41	151540.06	27895.22	690.48	570.19	592.55
3-Amino-4-hydroxybenzoate	10179.03	14284.86	13613.86	17367.85	13349.2	157674.5	186287.64	16329.08	25450.26	55328.01	19667.62	23310.28	113074.09	9912.16	14297.77	17166.04	21925.04	25352.9	276970.53	68694.2	20684.58	14642.47	20125.31	238372.61	7545.64	9497.37	3792.73
Dihydroxybenzoic acid	18901	62513.34	259715.92	63770.2	146318.7	12917.95	14963.14	50544.4	65498.86	126657.16	44549.56	235321.45	34966.35	107111.18	147471.81	345886.59	66762.72	70580.84	28892.85	151817.98	146607.3	185199.55	192366.7	121552.13	8218.59	8401.4	3322.74
L-Histidine	6255161.5	6103807.5	3979460.25	4618255.5	5002293.5	154954.31	596140.19	3872198.75	5237658	443800.41	3711704.75	4873677	18760.6	238357.55	340415.09	264143.22	128284.57	161948.2	95684.84	271598.16	197810.95	218908.25	164814.31	51263.71	735.95	454.68	5313.43
Orotic acid	12641.72	47060.25	39500.14	28504.51	22483.03	3928.05	4666.82	24418.15	37164.72	5038.36	25949.48	32541.05	4048.15	41374.04	53315.97	25337.01	22059.54	21202.39	5955.36	74701.48	56097.44	39818.91	29405.45	7167.77	1980.28	1647.28	2005.69
Allantoin	6817036.5	7090756	5412073.5	5597236	6641717.5	188759.25	635938.62	5154744	6771625.5	474742.66	5843487.5	7626445.5	761683.81	6181289.5	5820558	5368425	5664271.5	4315858.5	559750.06	7948277.5	8272376	6539616	4376458	1019476.69	1681.01	534.15	291.55
Indoleacetaldehyde	13893447	12174771	11320904	12158329	16599837	153918	726349.69	15348227	14736144	753009.81	15459269	16957386	827353.81	10430660	11737907	10699156	12596628	7917362	637566.31	15307340	13324740	13170987	6559712.5	1424537.38	12281.61	3789.26	4856.85
DL-2-Aminooctanoic acid	328162.53	355691.53	159601.61	261363.81	318254.16	1292.28	4707.39	202659.55	289333.97	3457.15	290504.47	221108.75	9842.23	367470.75	348606.28	236944.92	539638	313068.84	6507.92	544561.31	499039.53	474942.41	217299.62	11209.95	233.22	0	0
Oxoadipic acid	32181.24	49295.29	33453.26	47374.61	68812.18	8808.31	14981.23	44175.14	47269.87	14810.8	26105.65	43220.38	11196.39	83866.05	58432.56	63029.61	55876.19	40040.61	12532.2	59387.3	73344.03	51073.62	41290.31	10584.46	4544.71	5685.55	5116.13
3-Methyladipic acid	45877.7	47456.03	63816.45	34525.57	47913.39	93165.95	67988.87	53742.13	45689.91	52208.11	60849.6	46201.54	21573.68	41170.47	52735.3	35530.7	74088.16	164359.25	128492.91	57090.14	72664.41	85021.95	98129.25	122068.1	15583.03	10322.65	11155.23
Indole-3-carboxylic acid	389017.91	382408.75	441403.03	358621.88	481447.34	33183.55	54600.57	399020.84	408788.41	51570.28	453579	325974.5	45888.53	269772.75	318862.72	230461.33	259351.2	186725.95	41437.82	453928.16	297900.47	316652.09	205374.7	81856.24	18267.24	4140.94	9296.58
2-Indolecarboxylic acid	389017.91	382408.75	441403.03	358621.88	481447.34	33183.55	54600.57	399020.84	408788.41	51570.28	453579	325974.5	45888.53	269772.75	318862.72	230461.33	259351.2	186725.95	41437.82	453928.16	297900.47	316652.09	205374.7	81856.24	18267.24	4140.94	9296.58
Aminoadipic acid	384235.28	322002.12	293021.31	333863.28	425149.97	5144.77	10193.82	305225.75	300242.06	10886.19	301833.03	614219.94	19131.06	258365.89	312118	266050.75	242414.17	213350.55	10672.86	411667.12	343301.91	251047.14	266284.62	27646.55	2412.87	2819.89	3098.16
Tryptophanol	19748.41	23109.74	9533.6	15474.43	19702.43	1478.96	8382.03	28911.77	11290.19	3212.3	12579.78	12164.78	4919.87	21923.47	14219.47	10701.15	20252.72	21573.45	2160.17	11120.25	13206.5	10566.06	7033.24	4023.1	0	446.4	311.98
L-Carnitine	16989.94	21382.25	24670.41	14184.3	17377.9	0	622.84	13523.75	15708.83	477.48	15988.92	16529.78	2190.84	54676.23	63897.22	48479.92	21605.66	21208.5	987.73	26383.92	40215.07	44972.61	17427.85	1771.12	0	0	0
2-Hydroxyadipic acid	631499.44	473243.75	492992.16	523567.75	560971.44	44184.61	67149.49	381840.34	630509.69	67849.44	558205.94	486507.84	130010.59	1300601.75	984596.31	1018034.5	921139	605323.31	74658.97	983774.56	1073605.5	677743.25	568046.31	117739.48	26137.16	26786.65	28539.91
3-Hydroxymethylglutaric acid	1098165.38	1080831.62	854769.19	738786	1005932.25	56686.75	110121.54	812509	941830.81	64548.69	495339.91	959186.31	104466.6	799778.19	761233.31	564798.56	494491.47	593426.44	84118.98	1044488.81	884197.56	681463.75	842031.19	79010.95	16242.55	12047.84	11581.6
Pterin	24158.11	32204.78	20191.21	16595.42	20281.8	1195.52	764.46	22478.43	21663.27	660.29	23288.76	24823.49	526.26	11137.06	20007.59	13790.63	13263.02	10757.14	632.87	31238.97	21673.62	18291.29	10511.18	1077.35	0	477.44	501.35
L-Fucose	3975741	3578948.75	3339165.75	3636616.75	4024187.75	82544.72	247339.45	2970237.25	3677376.75	196390.8	2817666	3056827	233423.95	1889641.88	2553340.75	2037114.62	1902714.88	1543659.38	148007.95	2600041	2549812.25	2239087.5	1341686.12	226013.11	20338.14	21866.5	25720.97
2-Deoxyglucose	3975741	3578948.75	3339165.75	3636616.75	4024187.75	82544.72	247339.45	2970237.25	3677376.75	196390.8	2817666	3056827	233423.95	1889641.88	2553340.75	2037114.62	1902714.88	1543659.38	148007.95	2600041	2549812.25	2239087.5	1341686.12	226013.11	11894.02	12221.15	14281.08
Methionine sulfoxide	56584.02	43115.07	60968.79	72740.73	73562.71	10151.38	23284.03	63432.86	49920.81	22694.13	70858.7	72232.06	10004.97	33665.73	42372.09	35617.5	20835.96	29396.41	21108.96	45471.07	25340.96	29126.89	40110.15	34195	329.08	315.2	636.74
L-Phenylalanine	6570056	6830677.5	6478171.5	7752464	7522064	145358.3	371304.59	6608298.5	6993516	347266.91	6150992	8962587	290000.03	3578727.75	5607882.5	4443907.5	3485408	3171791.75	261866.92	5140857.5	4618457.5	4269146.5	2880234.25	513873.78	3710.03	2649.58	10141.28
L-Fucitol	36154.36	40517.53	42709.68	41036.47	37800.49	4206.22	4746.57	37333.78	35116.19	5046.5	31697.62	56207.27	3552.77	23775.61	54577.29	36681.33	23798.02	29452.06	3660.83	48337.11	31903.83	45101.25	20326.7	4017.7	2513.43	2152.71	2291.48
Taurocyamine (Guanidinoethyl sulfonate)	3262268.25	3599905.75	2415843.75	2670162.75	3232626	67744.25	272421.75	2263564.75	3287164	206799.75	3358265.25	2960503	258616.89	2557600	2683957.25	2419165	2297420.25	1856015.38	196806.45	2102862.25	3106862	2781584.75	1357194.12	312416	0	0	0
Phosphoenolpyruvic acid	1233145.75	1638926.5	1396818.5	1286976.88	1957919.88	7060.14	41179.28	1512174	1192134.62	15037.45	546221.19	1059641.25	5690.31	680492.75	438729.5	662451.31	327370.5	392081.5	10299.35	516440.72	206400.36	480061.12	358185.78	12967.22	333.8	286.1	3283.68
Homogentisic acid	237092.39	594521.44	229407.81	446923.5	516573.84	365532.72	161068.94	631697.5	110137.26	10796.64	238633.14	397690	745051.5	645124.44	339768.22	144064.39	262708.75	524104.03	460804.47	487699.16	1594115.88	697412.5	140303.95	298960.41	3979.09	143499.36	171491.44
Methylhistidine	9415244	9304761	7809534	7734855.5	7934718	231207.95	896125.56	7693228	7745225.5	734953.81	7621648.5	9190799	50581.56	974309.31	1296293.5	972026.19	577636.94	755970.31	196038.8	1193023.5	956356.31	1154727.5	687600.44	150993.34	405.43	358.59	6355.35
GAP/DHAP	2603073.5	3289004.75	2475639	2622839.75	2639179	20111.2	192074.88	3124122	3357987.25	53433.14	1538255.62	2340939.25	31787.49	2148961.75	1225894.12	1400334.38	760800.5	1289739.62	38807.5	909210.31	876322.69	1642873.12	508518.12	37306.91	1636.19	1152.67	3823.42
Glycerol 3-phosphate	113613208	110777320	74836528	83825928	105690024	860389.31	2704877.5	82971000	83757496	1666242	64543488	71810208	1041072.31	29560250	25817550	24426346	22332720	24331558	969059.31	33078808	15565939	28988502	12929673	1677897.38	6335.07	3510.07	211248.05
Glycylproline	73233.59	72387.43	47255	59241.33	60313.77	2026.29	3114.53	38931.69	66008.28	4373.69	53802.8	55603.76	2394.97	37277.02	46436.04	37282.74	33212.29	34436.94	3631.05	45236.54	50882.23	44655	23030.86	4304.09	724.28	662.4	1499.73
Hexanoylglycine	494060.28	541288.56	852170.19	547004.56	625252.06	100454.38	169152.08	466515.09	943658.5	301064.09	694214.44	3269958	256221.92	530286.56	709489.31	797167.19	752417	458313.78	270631.09	3797255.25	2728974.25	1282193	782526.75	704108.19	30712.82	15923.01	15646.34
Aconitate	1805119.62	1927564.88	2032530.5	1198141.88	1883723.88	29791.95	92103.85	1545257	1511157	123399.27	2053670	1742750.12	121999.55	2384533	3280940	2020306.38	2941915	1995301	123840.31	2663623	3529653.25	3672348	1235229.12	189948.45	5839.2	5230.47	9501.82
N-Acetylasparagine	59588.57	73353.64	62473.52	61230.11	71068.32	11827.86	11705.73	78976.35	57985.07	9525.09	69488.97	69461.12	7502.83	79496.88	83449.74	69851.73	64626.05	74219.7	12704.55	117527.84	85921.59	73756.72	57949.41	13475.48	1838.58	1538.05	3965.75
N-Acetylornithine	111188.65	126645.93	98833.35	182719.48	119508.59	5876.49	14893.4	140183.81	90895.9	10588.56	143940.45	171648.33	8094.26	84448.24	90500.41	108315.53	59395.32	77910.32	10387.26	122317.77	75114.41	92934.87	50353.12	21119.28	309.14	622.28	282.7
L-Arginine	1905571.5	2029118.62	1900631.38	1726940	2470113.5	36083.89	95506.25	1660979.12	1829174	116583.3	2263472	3189060.25	91473.16	2011738.88	2586894.75	1771240.38	1503155.12	1751225.38	109647.07	1818839.38	1717687.62	2384505.75	1015986.19	217073.52	998.94	670.89	7848.34
N-Acetyl-L-aspartic acid	5730958.5	5967169.5	5512162	6565738.5	10381472	179813.88	987535.5	9605323	7299254.5	915483.56	3345394	5182540.5	497200.84	5506867.5	4493064.5	3407172.25	5313196.5	3786425	290895.72	9037768	3693313.75	3679044.25	4874075.5	571234.56	2114.39	1835.66	2736.99
1H-Indole-3-acetamide	63963.39	64139.49	47495.41	61663.84	57632.86	10642.82	19793.35	81037.06	74474.95	25643.66	70038.73	51565.25	18120.08	45163.54	31705.99	53380.72	55998.36	44757.92	14419.42	55896.93	48177.26	51196.51	42099.38	26995.77	3394.83	7527.33	3600.59
Citrulline	2763883.25	2880364.75	2576482.25	2753209.75	2729246.25	101587.45	261518.12	3121517.75	2376837.75	218184.94	2709048	2977256	208078	2232701.5	2973926.75	2125845	1951289.62	2088905	194162.64	2844909	2237343.25	2633720.75	1495369	349771.88	2610.37	725.21	1402.39
1,2,3-Propanetricarboxylic acid	55419	144569.8	61134.27	45068.39	52460.22	18858.79	52859.93	58133.72	62422.92	53827.46	53370.73	49010.75	21197.56	86256.59	36491.88	38710.79	57499.82	56391.64	52030.58	69690.31	51706.14	62271.12	51388.87	39263.59	7458.68	6849.48	7037.46
Ureidosuccinic acid	16878.63	14076.94	16649.98	22202.53	27575.32	299.45	2747.81	30623.55	21484.12	2406.64	8072.89	15003.17	682.74	13539.75	13055.55	10394.26	17634.88	9100.52	593.55	26336.55	12345.69	10141.96	13835.32	1489.26	0	0	0
N-Formyl-L-methionine	133202.86	160050.47	91454.16	102234.98	108653.99	524.25	5043.58	113886.34	138422	6287.33	121601.51	174959.17	7460.15	100264.34	93910.52	84416.55	69117.5	48256.75	5059.46	122050.52	149301.3	97308.04	55652.51	13039.76	0	259.61	0
Pyrophosphate	45236484	54100900	25055342	23656294	46086816	446548.28	485510.59	30193766	34126260	549650.12	35784656	37321644	456972.09	11364112	12587765	7427793.5	9608031	8001842	475587.88	9586528	11106844	20572840	3003782.75	568573.38	302613.34	266940.5	470247.09
Glucosamine	4592.46	3699.54	5065.57	1358.36	4705.89	0	1509.25	28325.5	13300.31	1099.74	2680.61	1213.97	1830.48	6679.83	22968.28	11988.85	9653.36	11170.71	1107.26	19726.32	13855.3	12129.15	18726.65	2068.01	732.25	479.72	235.53
Methionine sulfoximine	13228.18	7431.22	8428.75	0	25095.04	0	918.06	6380.91	16251.89	1295.51	14591.22	0	4860.41	47837.29	50332.75	61773.19	47974.22	8945.64	1562.73	35261.18	56459.39	19337.56	22890.94	2155.73	0	0	0
D-Galactose	9244765	9001385	7394933.5	7905745.5	10218528	218615.81	808841.25	7033136	10103497	760710.69	8391973	8944661	1801198	21079082	15957195	16715003	16156608	10450595	751808.31	16712799	18096466	11131879	9434893	1421552.62	28072.89	27968.83	32571.71
D-Glucose	8470239	8121250.5	6297040.5	5841133.5	7158209.5	129620.19	430042.53	4643235.5	6842386	240941.48	2955404.25	5771478.5	486897.25	5949232	5619579.5	4125169.25	3794984.25	4278795.5	269920.5	8002060	6596681.5	4973500	6626828.5	325111.88	28072.89	27968.83	32571.71
myo-Inositol	9244765	9001385	7394933.5	7905745.5	10218528	218615.81	808841.25	7033136	10103497	760710.69	8391973	8944661	1801198	21079082	15957195	16715003	16156608	10450595	751808.31	16712799	18096466	11131879	9434893	1421552.62	51764.2	56848.36	59597.7
L-Tyrosine	268628.88	188348.5	315056.25	331923.16	298873.97	8261.89	6781.45	179858.95	246276.7	6883.84	287036.28	463782.22	6908.23	190396.12	325562.5	208874.25	201730.56	196910.61	18409.26	343411.12	411518.66	508545.09	181943.77	5920.76	1238.19	1312.6	2218.89
L-Homocysteic acid	52029.64	92105.34	52687.33	61552.23	59578.89	5591.23	7342.1	36390.95	30775.11	7944.34	49913.98	65177.49	20507.1	76512.03	97618.66	110099.4	161612.31	105538.03	11383.19	149215.72	145737.55	88099.79	116875.84	21992.94	4375.58	3055.72	2605.79
Phosphoserine	24702.38	25558.49	43552.28	41018.02	32422.2	7718.84	11091.36	31006.54	39719.76	11598.95	32312.5	31702.27	23246.4	47399.57	85850.62	77958.72	79147.34	49433.32	19950.7	51164.55	56386.38	57678.22	55606.07	34245.84	264	255.32	614.22
C11:0(Undecanoic acid)	2925756.25	2845502	4134494	3289026.25	4021483	4297050	2073900.62	3218754	3231181.75	1697470.12	4114767	3058727.25	2345029.75	873953	2923453	2721498.25	921383.69	2348456.75	1000328.5	2608324	2198736.75	1784301	2376868.25	2237401	400014.28	352535.03	272625.62
N-Acetylglutamine	88974.06	126870.12	95420.34	83880.09	84664.1	9277.95	12246.54	104678.79	109120.41	10660.18	90934.62	118682.02	11888.92	109200.59	134000.91	116710.85	77430.23	85754.55	12907.01	259053.33	199457.3	136642.61	79785.24	13894.85	3829.94	4096.92	4179.58
N6-Acetyl-L-lysine	145871.52	172352.62	147238.14	132793.69	131398.05	3437.78	21514.25	104701.82	152118.23	5410.62	161927.38	209298.89	12122.63	144141.8	141948.06	151219.7	143265.8	107948.71	6584.7	150108.62	120015.77	151659.75	90659.13	12244.97	267.36	0	328.71
N-Alpha-acetyllysine	145871.52	172352.62	147238.14	132793.69	131398.05	3437.78	21514.25	104701.82	152118.23	5410.62	161927.38	209298.89	12122.63	144141.8	141948.06	151219.7	143265.8	107948.71	6584.7	150108.62	120015.77	151659.75	90659.13	12244.97	290.21	278.82	328.71
Indole-3-propionic acid	79178.54	65994.23	54776.3	53162.54	51970.34	4445.1	2355.31	52282.53	47431.17	2893.96	44818.89	39002	4784.35	20692.31	31984.5	34944.31	19372.01	25889.31	6984.49	49631.75	39845.29	25751.79	30680.38	4928.23	923.42	778.56	2511.11
Homocitrulline	40291.07	53806.84	37869.62	45464.11	47400.33	1340.89	4270.62	44820.88	42083.91	2590.85	50481.12	48527.06	1839.21	41016.21	35043.7	25772.87	28226.89	35349.22	3286.48	41742.51	38714.91	44705.68	21401.22	3694.48	267.19	0	0
Diaminopimelic acid	82954.71	107299.15	90407.69	82725.15	88640.19	878.11	2802.49	72945.85	73165.66	2412.22	70116.03	104253.35	3476.63	82181.2	88502.6	73521.02	55247.11	64076.23	3170.76	95935	79851.54	82016.1	48553.26	5598.34	0	0	0
Citric acid	30979224	33345072	33548834	21832966	33400368	933109.31	1734980	26512206	26876650	1347134.5	33931488	27870026	1104443.88	41924380	50900188	31892182	38804400	34052416	1386708.38	40503240	48829984	52543052	23681806	2558065.25	108275.25	80078.71	272965.47
Galacturonic acid	63563.02	61289.8	63556.97	53216.15	41010.86	5823.76	12106.46	59092.64	55350.74	12395.24	34654.53	90133.46	17740.8	61263.31	60862.72	67038.38	51236.94	60844.38	16415.55	72045.88	123237.31	59594.16	66073.62	19684.52	2137.49	1997.35	2355.22
5-Keto-D-gluconate	70803.85	77320.9	69898.81	67485.61	75516.58	2476.61	5560.78	59743.34	71758.24	4356.2	38995.61	57644.41	3999.6	65300.34	50480.14	45155.58	40457.3	44877.47	6207.24	82905.26	49993	43571.74	75762.04	5254.51	0	247.64	0
Methyl beta-D-glucopyranoside	621821.75	230094.75	172065.47	490617.25	424417.84	3395.72	9125.99	294984.12	520310.12	10586.56	211906.06	477140	35736.05	155374.19	143614.69	325111.78	232392.8	117565.77	12345.45	324744.81	389778.97	199414.64	91252.46	33456.78	2864.86	2907.3	4257.88
D-Erythrose 4-phosphate	4753496	3022854	3305522.75	4466085.5	3693837.25	51715.31	382785.47	3950024.25	3775201	131774.48	1768482.38	4404532.5	94849.54	1988549.62	2278304	1834883.38	885664.5	1391361.88	91327.09	1917870	1328484.38	899256.19	891541.94	104754.51	0	388.6	18740.25
Capryloylglycine	119563.81	151056.61	148244.73	108775.47	203437.44	150574.67	82515.62	128933.95	130301.35	57021.29	176117.73	393639	30223.2	100933	166404.02	108012.87	210763.52	140724.19	185001.06	228163.75	195242.5	245446.19	104901.63	146963.12	14714.2	8965.1	8921.9
L-Acetylcarnitine	185516.92	167869.98	92119.6	139435.3	171938.39	2137.81	4773.2	117588.48	159031.89	3926.44	163194.52	136568.81	10515.39	231154.83	174338.33	143961.41	376124.75	211988.69	5462.08	340389.09	308292.12	289488.03	178093.61	12632.39	563.95	1176.02	1113.03
L-Tryptophan	1194328.5	1381389	879647	1096801.12	1619443.5	3625.72	12350.84	780272	1185957.38	14007.99	1159390.38	1788057.62	13130.49	648653.5	937789.75	642780.94	738896.81	440368	16382.79	1058917.12	1154119.88	1132282.12	361438.25	40280.49	728.47	459.4	456.89
Xanthurenic acid	15996.95	17162.59	13693.42	14353.66	14174.48	1176.04	711.8	14312.33	14369.38	692.92	19738.22	15852.55	1848.31	22243.33	27739.32	29733.08	19172.99	16405.61	2842.66	22609.81	28675.91	28668.77	13245.19	3056.39	689.4	545.93	549.45
Indolelactic acid	78614.85	126169.35	98396.34	83820.79	134853.28	8930.33	7704.41	67864.32	111121.96	23399.32	105100.35	125783.25	12022.63	128634.05	112607.05	78274.5	75343.82	32737.03	8550.45	129123.29	129098.71	132074.77	46373.33	23727.96	1543.58	1977.4	1563.03
Methylcitrate	76344.91	103768.35	54368.43	78683.05	102182.01	8261.57	15802.95	76869.95	85220.2	9763.99	71632.93	103279.66	10410.83	270324.25	257818.92	201344.3	241636	169496.97	9083.27	207991.25	287967.03	337988.91	98897.09	14817.67	4097.82	4018.38	5122.88
Phosphocreatine	49254300	32943310	69517640	66888004	45367424	988842.69	4915802.5	45288164	28451082	7965715.5	65246100	80439928	1529212.38	12582140	43308796	28728794	19594218	12809384	2595754.75	20905974	26157782	7981632	13693864	1717985.88	0	0	110458.99
Indoxyl sulfate	1413315.12	1569894.38	3616304.75	1952258	1880002	89220.98	196744.7	2090662.12	2209823.75	746449.69	1374087.62	4853592.5	239880.77	1686434	4504353	3130335.25	1630080.62	1630118.88	186939.67	8849272	5327533.5	2889597.75	2647581.25	588825.62	5255.94	12971.16	1365.11
Tridecanoic acid	4688251.5	4675923	6333790	4591078.5	9310182	6533604	3315857.25	4090096.25	9124481	2786994.25	7147661.5	3666296	3734607	1514533.62	4468164	3656298.75	1558798.62	4037664.75	1650628.62	4365750.5	3904988	3467793.25	5833250.5	3356815.75	637925.69	565150.06	481374.03
Propenoyl carnitine C3:1	27687.22	29627.9	41441.94	50338.57	22036.29	9898.09	12501.47	54733.33	37192.82	11392.12	14411.41	73470.98	9051.36	34986.53	44611.29	49267	36521.13	55006.97	11440.08	81363.21	53115.53	43662.2	31803.23	15998.41	2907.51	2707.34	3575.14
N-a-Acetyl-L-arginine	11487.95	17454.18	14925.08	15157.6	22746.6	1470.9	823.69	7703.09	15289	1542.16	17890.5	21492.3	1585.57	16107.52	16078.07	14994.46	12265.89	19474.13	2732.86	21924.14	15230.62	19516.49	15539.49	2704.14	0	0	0
Pantothenic acid	3617548.75	4729198	2136946	2478883.25	2786522.75	25973.65	198390.33	2107950.25	2684913.75	77610.88	1836350	1373264.12	198834.5	5267765.5	3226510.75	2889438.25	3534464	2080599.12	156783.3	3769258.75	2826593.25	1828248	1616206.38	87432.69	272.79	361.82	405.19
5-Hydroxy-L-tryptophan	8171.57	10407.4	4316.14	13264.15	5249.42	310.38	264.48	11176.37	11685.75	444.45	15915.34	16907.91	636.73	16514.03	16029.07	15797.53	4007.16	8427.1	556.35	14867.04	7771.9	5120.28	6207.94	266.39	574	297.24	289.34
FA_C14:2	1412529	1019885.56	1665272.5	1408344.88	2206699.75	27428.71	87108.62	830872.69	1500487.88	185600.12	3946522	4689343.5	409565.12	5124479.5	3814988	5967111.5	6429828.5	4102364.75	213032.38	5709886.5	9627765	4745370.5	3631510	476402.66	29035.39	28911.45	22360.79
3-Nitrotyrosine	69234.88	82580.28	60442.43	59014.92	59258.54	7358.66	10152.62	50320.33	63595.88	11986.98	62854.9	69468.5	9651.12	54630.19	34965.82	38844.09	39959.18	35009.8	10489.74	40033.09	42417.16	35960.8	29169.09	15501.49	729.69	611.91	9223.87
Carnosine	608630976	590531712	396528736	454661664	502971744	14338589	55427372	385636768	483579040	41242800	385091936	502505472	2484551.75	23121786	36607672	26222704	15422237	15607744	9132007	28403834	21037398	24141342	17984922	5652848.5	2950.43	310.35	530464.44
C14:1(Myristoleic acid)	5888259.5	3889886.75	4035768.75	4543094.5	9166547	717737.69	530037.31	3134317.25	3816911.75	817933.56	3117365.25	8184684.5	1752233.38	8794329	10246027	9922505	8301158	5238280.5	1020953.5	11464313	12329861	9227736	11230603	1469260.38	292017.66	292759.34	202387.02
Deoxycytidine	183184.62	218946.08	179542.8	170504.31	131828.14	3845.49	10479.86	106881.85	196258.94	8464.92	120727.19	168951.05	12770.58	150231.5	131904.86	186001	99197.52	78197.66	7686.96	109892.62	179319.05	134031.86	70010.73	25131.62	1675.69	1640.21	3684.6
Mevalonic acid-5-phosphate	25512.38	26302.62	10901.6	4599.95	19859.75	525.97	402.55	11277.36	14802.37	470.24	12520.56	3446.85	381.21	18973.86	14003.59	8397.43	13073.96	11655.46	597.74	12067.44	8176.02	11448.93	4433.51	459.04	312.09	375.63	807.83
Deoxyuridine	785173.56	759574.44	915960.31	863640.31	606503.5	17004.38	59547.2	639379.06	825474.5	39158.99	647309.56	892983.25	58186.3	523326.75	786739.56	695484.94	456429.25	492196.78	39453.41	617293.94	669895.06	615877.81	396493.91	79018.04	4961.99	444	6583.03
C14:0(Myristic acid)	50609804	33944336	43958508	37474732	61466100	30666566	23591626	35352348	75984568	21119598	30841656	45478940	24749474	46829644	67434232	41419004	46471872	41642580	30815218	67770440	53371916	55451424	76168632	34785476	8005610	7000870.5	5255828
D-Ribose 5-phosphate	825821.69	652241.69	550274.88	717205	613356.31	47103.42	278264.78	588193.62	738958	87288.5	517298.88	945966	101775.38	1006757.44	836650	663668.44	789240.81	730726	81648.6	1207091.38	675989	757448.25	864753	116327.66	2324.92	1044.92	16119.44
FA_C15:2	3588572	3165914.75	2483864	1475212.12	6630549.5	60436.17	150958.86	1187081.88	3267043.25	250173.92	15276163	11940101	910083.69	5220385.5	4266797.5	3490203.25	13065231	3547393.25	460568.66	4341611.5	9798691	8457407	2481522	1676833.38	1267.45	1476.6	6418.24
L-Cystine	79563.35	59351.97	46095.43	57988.07	54877.49	2120.68	12410.93	30027.21	60006.56	11153.7	35630.83	62790.64	3903.63	5208.55	4947.47	6571.56	2609.31	4457.97	3616.33	4955.02	8519.75	3248.61	7595.02	5650.86	746.63	482.94	316.67
Homocarnosine	429889792	455539872	343602752	393832608	383769984	10900055	44744460	358819424	373590048	34766164	372403936	441808608	2684678.75	47406364	63442580	49800160	30491590	37093740	9190757	58990564	49069696	56750272	33053792	7440544.5	2090.12	0	339006.97
Anserine	429889792	455539872	343602752	393832608	383769984	10900055	44744460	358819424	373590048	34766164	372403936	441808608	2684678.75	47406364	63442580	49800160	30491590	37093740	9190757	58990564	49069696	56750272	33053792	7440544.5	2090.12	0	339006.97
Pirbuterol	114622.15	75100.29	59721.45	97228.75	77290.85	2876.19	7518.48	114570.52	88911.91	6306.07	93735.34	139460.83	516.05	13079.5	26137.69	4820.9	5381.12	9381.9	2624.4	11853.91	4586.66	9245.96	3642.81	570.26	335.56	339.57	475.11
FA_C15:1	1098779.62	1251401.88	1145945.5	965054.06	4792194.5	1131005	819728.5	937977.19	832265.56	611025.25	1795560	763277.94	837075.69	824459.31	1158751.62	961853.69	904808.81	984332	715746.44	1072758.62	1278396.88	1119897.25	4520301.5	721194.5	244269.2	285190.22	167179.47
Lumichrome	39103.13	87120.88	105138.62	168703.39	362529.09	356096.62	227809.23	118370.41	79031.76	229541	145926.83	97494.78	1106269.38	1298472.62	780618.31	347203.53	258919.36	383253.22	400526	186205.88	198010.75	600005.75	445090.38	1480697.38	118480.84	79278.79	51205.55
Thymidine	2441834.25	1528031	1679667	1448498.62	901872	1076754	414829.5	1463998.62	1490309	727148.69	1258374.12	1481605.12	235276.31	1224289.5	1516500.88	1189841.38	1194825	1477786.62	2965775	1857642.5	1069934.88	1869466.5	1050723.38	2379602	23783.83	3113.73	4459.68
FA_C15:0	12465789	13980149	13517789	11599953	30337728	17168214	10353417	15142136	37401484	8258406	13616363	9416371	9679187	8819268	13953703	10524841	10431321	11910651	12301661	16233232	11239724	12036533	29824322	14013153	2479527.25	1552609.62	1110503.88
Cytidine	671548.69	842300.25	637107.38	750526.69	959888.19	12458.46	30154.72	611845.56	821569	28241.26	569741.56	1028858.56	39296.7	605798.69	632874.19	498418.16	528072.94	432920.47	28239.94	832318.5	692502.44	621519.25	383317	78498.1	580.65	403.5	6928.46
Fucose-1-phosphate	794513.94	645294.56	481293.34	637649	744614.81	7203.26	23653.15	496029.25	619007.12	23543.03	830551.5	716184.81	47949.94	995871	1005577.5	1048837.88	1205363.88	955379.25	38999.89	1010690.44	1160136.12	1246400.62	583301.12	88131.05	690.65	562.96	1882.59
Uridine	3431759.25	4234238	3093598.25	3488481.25	4045874.25	74026.1	208868.55	2930497.25	4004220	146406.25	2386389	4152265.25	331613.16	6563821.5	5697324.5	3377236.75	4473732	3526436.75	226308.3	7690816.5	7161151.5	5706552.5	3964157	490136.25	992.6	486.27	1247.43
Biotin	62687.11	82276.48	63245.8	69279.34	92339.65	832.38	1807.71	58544.36	72630.48	2364.99	49250.38	98038.12	3902.99	58882.14	51255.75	47830.38	46327.06	31653.63	2673.12	77031.41	58046.98	57494.47	29650.9	5697.49	0	0	627.15
Pyridoxal 5'-phosphate	6702	8918.93	10871.18	10156.47	10849.9	547.42	479.25	9334.94	11489.13	400.76	11428.33	12867.75	459.61	15287.07	20351.42	14611.82	15120.4	8318.62	602.81	17816.31	14602.65	20181.49	6228.15	1023.55	0	0	286.05
Pyridoxamine 5'-phosphate	36342.42	25233.71	12885.19	31373.78	19428.93	1732.33	1059.59	31359.91	16730.59	2038.38	30556.79	17907.94	2807.34	63452.71	60251.03	55200.28	53144.55	59121.36	3992.81	37858.2	63868.75	85412.91	18878.48	4472.1	0	0	925.74
Muramic acid	32423.57	26083.27	27861.79	30060.45	19907.78	503.66	2298.47	30343.07	32895.22	1560.04	32506.19	20486.67	4109.59	52533.01	44730.11	58071.81	45628.33	45490.18	2500.19	66973.94	60737.55	56798.36	25583.35	3200.56	0	279.98	0
FA_C16:2	2147732.75	1581905.5	1338877.5	1851704.62	2429995.75	244879.62	197015.69	1050194.88	2023371	244035.5	999470	3140388	573780.94	4454166	4753596.5	3733038.75	2695018.25	1941084.5	362732.03	4881241.5	4861458	2996034	4756726.5	422833.78	60312.33	63845.77	38086.52
N-glutamyl taurine (glutaurine)	58297.75	43971.93	34889.78	68956	44884.47	250.78	2531.49	54576.08	50542.57	2221.29	36655.5	62162.45	3670.12	62084.45	102348.63	151789.33	79381.77	96659.59	3875	86831.97	99573.16	167554.12	56075.75	8331.77	0	0	0
C16:1(Palmitoleic acid)	173591728	95090008	70848968	100414376	145053840	12807179	10717999	85471752	91453688	14169581	58905008	197418816	64623812	164239760	236389104	132053248	156021424	76720736	30200680	218643344	194151984	176931952	236467472	31364906	1744902.38	1762335.38	1154581.88
Glycerophosphocholine	139195.03	145142.03	158065.38	160811.31	204989.23	2389.1	12894.85	171485.64	197913.45	14965.46	131720.8	162526.38	30942.62	203739	260979	218387.05	328023.66	175201.39	10847.57	313479.25	268414.53	268120.75	170551.92	20708.74	0	0	0
Ribothymidine	27518.27	10933.78	12886.88	23270.02	35074.92	5831.28	3349.45	14031.91	18462.97	4536.29	27320.76	30421.78	2479.27	21928.1	21054.96	18689.78	11614.52	24885.37	17033.23	24062.12	23925.09	32246.74	11485.87	15713.02	0	216.91	0
Glucosamine 6-sulfate	89099	124266.6	34187.08	76273.85	74334	0	0	120769.68	94289.16	213.93	51818.21	44490.09	865.69	138756.2	96220.95	60372.91	70501.88	95261.18	0	104154.07	122954.02	126801.32	25834.13	1249.46	0	0	0
Glucosamine 6-phosphate	4068376	3437203.25	2921059	3791315.75	3354389.25	95080.38	291705.72	2850345.25	4110025.25	153496.3	1658461.12	4172749.75	98019.47	1802328	2255095.5	1542310.12	846838.44	1243120.62	97681.43	2010390	1203983.88	1000529.81	780240.94	96859.98	845.02	332.52	70236.77
Hexose phosphate	260633040	172471056	185015216	249305600	217119552	3163715.25	20098840	220051504	210472704	6379164.5	100275512	236858288	5162645	111054952	126680384	103371160	50067844	80444648	5207654.5	108176448	73259904	53820196	50276624	5480100.5	3843.24	2195.05	1066927.62
Mannitol 1-phosphate	137486.98	202634.64	101966.32	106244.22	112461.56	567.47	7147.19	152742.31	147913.77	3030.98	134554.33	123404.51	13644.13	257008.8	227835.83	134094.61	214702.08	156368.52	7176.77	191287.2	218209	212389.44	62133.01	7696.44	0	0	320.91
Thiamine	9821.23	20981.16	23225.84	13384.14	13997.98	23459.2	15130.61	13437.84	29564.44	21238.66	11025.12	7575.9	4620.15	13096.02	10043.85	3776.89	22901.55	18243.85	15499.63	22710.19	3581.97	21199.14	9054.93	18127.65	583.61	1049.86	321.99
2,3-Diphosphoglyceric acid	14877.87	48651.12	65132.82	52945.81	69087.93	3152.79	2492.85	38611.38	45965.92	2399.19	18800.82	16359.95	1307.35	50171	72664.24	48263.15	49384.69	41508.72	687.41	63470.02	40189.37	79626.63	32265.52	652.41	1982.81	1894.07	2361.77
FA_C17:2	303390.53	292169	224956.98	251177.61	387718.5	89596.68	130275.6	289520.25	261202.55	75430.01	208281.83	437762.84	171590.09	317605.22	450398.62	344711.09	453701.84	248395.44	162364.89	783553.44	682587.75	592312.12	1029306.69	206038.83	16414.4	16722.99	15291.39
Adenosine	1837876	1831245.88	1478627.5	1145982.62	1969615.38	22559.59	58733.39	1093259.5	2329013.25	43963.05	1811427.12	2474066.75	177877.88	3177594	3193932.75	3762637.75	5147797	2977541	156617.36	6905709.5	4240029.5	3420614	4468985.5	445131.09	1360.91	624.83	1348.27
3-Deoxy-d-glycero-d-galacto-2-nonulosonic Acid	39646.58	42199.12	16696.37	11180.49	36351.5	7192.17	8732.92	10468.63	29147.09	12285.73	53749.57	57121.59	21436.54	85157.79	104722.77	105683.13	75618.63	57821.03	15007.94	91869.82	101710.6	108911.15	49460.35	19957.55	1726.61	1331.04	1872.71
Inosine	3517100.75	4539942.5	2405247	2566024.25	3662847.75	46509.7	194754.27	2129467.75	5234877.5	69917.32	2023921	4639394.5	315158.72	5409892.5	4797430.5	3028303	5173613.5	3312159.75	207833.38	12836257	6009911.5	7441685.5	7688759.5	551851.31	744	859.62	725.44
FA_C17:1	5027264	3742102.75	2803872.75	3528083.25	10276807	2243727.25	1662621.62	4682722.5	4038487	1146787.38	2630049.25	5576480	2489949.75	4987906	5393964.5	4322130.5	5220382.5	2954130.25	1746958.38	6780602	6120324.5	5482078.5	19550226	1903407.38	441468.66	436817.97	270280.09
FA_C17:0	8360781.5	7684097.5	8510264	7087934.5	14025781	12743403	7221106	12534091	15039293	7624179.5	7823477.5	9713140	6621850	8840946	10248556	8775707	11060207	8520984	10660148	13202571	9537889	11238573	27304558	10711608	1967904.62	1200344.25	1076523.88
6-Phosphogluconic acid	111404.09	127830	81776.34	88821.16	98330.04	0	0	54387.66	80538.02	0	69051.52	90600.84	0	52126.69	56567.43	41758.39	35193.57	31232.89	0	64514.23	49237.86	59839.64	16488.01	0	0	0	0
Saccharopine	7913.08	8605.06	7280.92	6762.69	20875.66	326.4	1308.26	6722.73	7774.67	907.82	8762.61	14720.56	336.77	15117.83	13661.63	4495.81	12875.36	13945.62	360.29	23224.74	12470.31	14276.99	8788.62	708.94	0	192.14	413.85
FA_C18:4	1055989.38	865249.5	1300169.62	648016.75	752642.81	331821.41	327870.28	690664.31	666691.31	659136.5	769643.19	2058679	764897.5	3389281.25	6039906.5	3350394.75	1996956.5	2126480.25	515388.75	3115944.75	4356340.5	8471096	1830320.38	1135982.88	47389.25	51037.84	33567.48
FA_C18:3	26805046	16986702	17104282	17005222	18003022	1784519.5	1525345.38	16322167	18186816	3044354.25	11067718	29709056	10193022	39415916	64236144	27096416	24855240	15184272	4497018	48559584	43973428	47049440	37335612	4821541	62082.44	56434.39	45729.73
C18:2(Linoleic acid)	247531632	171640112	120440552	171952624	186359440	26919272	20470694	157362688	200612864	30869522	124777344	309865728	119818080	324141056	371414624	238646256	258755968	145228976	58940720	422143232	384796160	322945920	377949920	58279680	1383740.88	1507582.62	912777.81
C18:1(Oleic acid)	361324032	217308784	193174848	224136272	294859296	118018856	76476176	228489152	259460848	84170216	212854704	488794976	191927472	412516480	426215424	319194848	468214656	229235504	152685872	532480256	471192992	430122592	544354560	179568272	6538536.5	6875730	3992903.25
Guanosine	250612.77	322559.28	219875.3	190509.7	371146.41	6566.21	10945.56	217318.23	324929.59	9158.28	94911.12	347040.25	16108.3	303988.5	333494.78	224921.56	249275.64	174908.81	12982.48	617465.56	476877.34	289964.28	327962.78	28819.14	0	310.74	0
Ophthalmic acid	124255.16	124457.54	104893.5	437504.84	109650.19	2938.02	6155.16	221371.8	142474.23	8390.06	116834.38	378333.59	5687.7	225632.64	291597.03	685714.19	124516.88	470623.16	8744.97	339255.66	177670.77	462045.22	346938.97	36284.43	0	258.47	0
Argininosuccinic acid	88134.1	82018.86	113840.98	69636.52	103816.03	2755.43	9759.4	98279.44	97018.96	5173.73	136853.5	125849	12329.61	290585.22	484497.03	228411.77	196783.42	218118.89	9177.63	256347.52	291278.09	364028.88	112171.54	31281.71	0	0	529.69
FA_C19:3	72130.74	178381.19	184065.61	110984.5	115403.34	28810.28	35423.21	96005.34	86654.28	26059.51	181111.67	148929.67	28706.3	970449.44	1143277.88	914189.75	833004.06	640238.5	35168.95	671915.19	676745.75	846471.25	407244.16	17941.03	22749.55	17102.94	20834.24
FA_C19:2	273043.75	135345.92	202160.73	142128.14	467675.25	25063.96	61195.98	226890.86	184718.77	154396.23	114350.93	277929.84	138386.52	315072.12	323787.12	275888.94	211712.39	97414.25	60855.93	294873.56	265862.78	377311.75	784776.06	119715.35	12284.76	4677.23	5495.41
FA_C19:1	1788472.5	1260743.12	1297860.88	1238105.12	1750478.12	730745.75	581058.69	1278991.75	1584929.5	805090.5	1281606.38	2959436.75	1140976.12	1902929	2019951.62	1706111.62	2083512.5	1096707.5	940612.81	1974043.88	2309738.75	2167555.5	3858022	1030697.5	129394.93	157457.3	77794.54
5'-Methylthioadenosine	417907.66	451212.62	336968.41	352208.25	453336.09	7701.63	32623.97	299018.75	458563.59	28976.31	480391.75	424104.66	46795.56	428199.84	481430.53	300751.12	336633.97	398698.84	29742.61	326536.62	339785.66	523396.34	171477.62	68071.96	348.88	348.54	371.77
FA_C19:0	1976580	1779324.5	2730398	1608538.62	2173895.25	1682793.38	1371508.12	1596066.62	2025590.38	1638958.38	2132224.25	2822326	1734501.38	1687512.38	1995807	2635609.25	1928956.88	1818103.88	1658061.38	2559707.5	1978951.62	2289140	2933350	2101503.75	380404.66	327604.97	231560.98
sphingosine (d18:1)	222599.42	243036.38	861602.5	322803.12	350177.84	58739.43	37020.59	316726.84	538372.25	79965.66	251552.48	310218.53	115221.73	250003.7	201217.67	1194127.12	196688.56	120954.1	61766.54	322751.16	445283.84	239436.7	159992.84	283776.03	4944.84	3393.31	773.42
N-acetylaspartylglutamic acid (NAAG)	1635083.12	2137333.75	1402611	1325264.5	3853983	18005.76	52062.78	1850239.12	1538810.38	45379.35	1302190.62	1733607.5	36392	2055440.5	1812966	1244262.62	1861118.5	1355824.88	34472.36	2752991.25	1732135.88	1568911.38	1277763.88	61786.94	0	0	821.57
C20:4(Arachidonic acid)	33029306	36463604	39421860	28971246	39508272	976217.5	2169744.25	27810960	37650588	2519908	35813128	43120228	9716709	85856872	120465384	59887980	72545696	44833164	4321123.5	84282024	97303016	87073824	52847164	6502766.5	323636.28	108209.24	115947.12
FA_C20:3	6609322.5	5168447.5	6881820	5059013.5	6334831.5	430076.97	500763.34	4682534.5	6361732	848289	5037412	7845074.5	2922009.25	12693503	19806474	8448569	10859986	5998301.5	1252944.12	12196823	14656483	13090555	9594767	1495875.88	23547.73	20361.65	13757.04
Glutathione	257314.61	327714.47	214590.23	249314.86	311940.09	18305.39	33966.46	231947.05	309609.03	34700.63	222216.95	292852.16	18929.64	249080.61	359427.41	204807.48	238942.67	188211.44	26706.75	214890.98	386497.75	361030.09	153058.98	35605.39	887.49	1037.26	16903.7
FA_C20:2	4048668.75	2869921.75	5488724.5	3246980	4414092	506311	419859.22	3524452	4305277.5	830983.81	3494928.25	9339971	1894594.62	6461409.5	8452891	5018026.5	5988052.5	3083885.25	934799.19	7451109.5	7365285.5	6998101.5	7920700.5	1395509.5	15925.47	39097.21	23557.66
N-Acetylneuraminic acid	67085.09	101975.24	56549.18	62893.59	106489.56	1523.39	3374.31	78348.2	92279.34	2777.6	87801.02	85549.21	2481.57	51372.58	72074.27	52219.18	55669.38	47127.26	2201.57	77537.63	74171.65	67403.57	28329.52	3861.32	0	204.98	0
FA_C20:1	8233342.5	5075006	13502040	6337404	9591370	2371481.25	1564031.12	7967312	9490689	2929183.25	7505574.5	18968434	4622733	11480096	13671069	17859160	13611864	5474663.5	2791098.75	16571227	15105212	14211111	14696464	5684288	136279.98	148375.72	85381.07
Palmitoyl glycine (C16:0)	98943.91	113894.04	107950.48	125210.12	94759.65	170348.95	69324.56	128637.46	83122.21	60206.51	94866.09	112953.48	44410.1	50058.14	89665.19	69529.09	66015.06	75298.1	59285.44	85442.1	70736.3	106971.28	565936.44	76502.72	37333.25	31437.03	24862.43
Decanoyl carnitine C10	14170.58	10169.53	0	7665.31	39695.83	1204.19	1659.72	9501	28391.05	2860.93	29963.25	3530.9	3389.55	6277.07	10484.69	18121.51	30456.61	26834.31	3787.29	29888.2	35678.27	10999.23	17735.84	5140.04	329.73	325.3	559.5
Cytidine monophosphate	245543.25	288873.62	107225.54	92585.88	235803.48	4005.8	10746.49	182133.08	203328.64	8054.85	252641.05	170849.98	23244.46	524058.28	223523.83	246103.25	316192.91	354841.84	15988.99	245087.8	309492.38	671197.69	149998.61	43566.29	286.64	279.3	1004.69
Uridine 5'-monophosphate	698483.94	874680.44	316187.59	342422.12	688467.94	6151.64	21283.87	641797.56	674260.69	16831.62	731212.94	486897.91	59035.86	1358251.25	687562.19	801197.19	955583.75	1030222.81	32415.94	789836.5	933799.81	1783065.38	402009.66	105398.95	1817.64	1670.5	2163.63
FA_C21:1	200558.17	209720.17	486774.09	369085.91	360521.25	113977.02	114341.35	202886.55	298473.16	153993.8	253447.67	327714.53	247083.05	273214.38	274870.75	861594.69	233473.94	157281.75	154970.48	360760.16	350038.22	302651.62	479323.09	165500.64	49496.14	33231.67	11315.26
N-Glycolylneuraminic acid	285043.47	304629.59	274033.38	230013.14	501994.34	7271.52	22583.82	235750.17	303007.34	16854.67	246954	223518.83	60008.78	293597.03	409817.47	259502.75	365560.97	181988.7	20492.19	297723.78	423109.12	416893.5	141661.48	45234.86	0	0	413.99
Oleoyl ethanolamide	420321.41	484270.16	850849.44	568935.5	618965.56	50244.72	49216.44	479761.03	515816.75	67622.38	406138.78	444840.25	100502.31	370982.41	363953.75	1061661.38	274102.53	174815.86	107844.12	434335.5	523254.16	487303.47	218771.31	201511.06	1962.05	401.6	1515.34
sphingosine (d20:1)	184758.69	218303.05	594375.19	258234.58	268815.75	46522.39	34632.13	246599.7	376375.88	68654.34	223291.27	220475.62	118742.68	221387.42	190045.38	810826.31	164892.2	137179.61	58713.81	212147.83	356813.28	254705.08	131702.81	244010.56	4430.3	8863.67	3066.83
C22:6(Docosahexaenoic acid)	33329824	40297196	83441632	40157372	50975520	1241322.88	2440596.25	44837484	42407168	5745707.5	35634492	77577608	9451168	99063136	199573168	76167512	120991840	80104272	5929020	101442536	145600576	139397552	49553824	7863238.5	16755.39	17198.2	68181.59
Adenosine 2',3'-cyclic phosphate	186967.31	206985.73	263908.47	125611.25	97952.91	422.36	6223.97	87955.23	166725.52	2509.63	110296.23	180522.23	5655.45	87435.46	229831.25	200690.95	127871.34	72377.47	4707.27	248646.14	129659.85	67519.24	79374.7	11607.68	0	0	0
FA_C22:5	8075894.5	9436681	16886970	9804109	11283627	252636.61	635987.5	10828353	11624640	1358190.25	7971686.5	15637291	2805461.75	23339722	50935392	18044394	24780246	15536987	1270903.62	25934240	30742414	30956070	12901549	1483223.12	1513.19	2731.28	5141.92
Deoxyadenosine monophosphate	25454.37	18963.99	24713.36	23969.61	20732.2	0	0	15231.06	14389.03	0	11586.13	11865.9	1191.14	28069.8	17030.35	27738.61	21381.27	33097.14	367.26	35215.34	31512.24	38156.51	17113.6	2997.13	0	0	0
FA_C22:4	2879650	3393101	4194124.25	2648770.25	4391629.5	151967.55	227363.58	2889759	3959933.75	338790.03	3258354.25	4540440	914143.06	8213358	11309189	5248697.5	9356175	3794672.75	426708.66	8749816	10950954	7880343.5	4831961.5	564301.75	41479.75	47815.53	60067.57
FA_C22:3	253276.11	189871.2	241904.38	151726.2	358891.28	56034.4	28598.31	192062.25	240282.3	31800.07	248027.31	338055	56078.72	373793.47	394268.47	242826.38	368237.12	142726.5	43845.32	354629.34	367692.97	319398.84	762745.44	47045.36	13945.64	3141.83	4148.21
FA_C22:2	216505.67	174694.52	256495.86	176874.25	378507.41	55720.91	53447.55	273639.09	302349.72	47385.86	340304.62	539990.62	76867.74	262401.34	286685.78	230863.48	303896.03	130566.96	64716.77	317601.53	315719.75	313265.09	653384.19	104087.25	9172.07	4249.23	5147.67
C22:1(Erucic acid)	547252.94	981298.5	1275621.75	1464021.62	1567155.62	711366.69	315642.59	1437263	988823.81	528963.94	862069.69	1347847.38	620876.81	901179.94	838139.25	1633025	1125904.62	472705.41	699330.94	1596839.12	2667131	1233006	2665537.75	943137.69	73419.43	57965.23	50892.27
Fructose 1,6-bisphosphate	7074095.5	9036697	8702229	7173388.5	12034267	91107.06	754747.81	15166368	11657616	195087.2	3479080.25	6068594.5	68000.77	7597474	3956714.25	3156757.25	1515521.38	3649187	107748.19	1770687.12	2013034.38	4831694.5	817519.5	80650.6	0	505.28	54014.02
Lactose	125012.26	139961.44	84171.48	109129.12	83275.04	15799.61	19555.56	95758.24	116769.56	17861.04	171212.22	158509.36	15482.03	212579.14	282294.78	189315.45	154438.52	168308.77	27193.43	219919.94	247119.81	230853.45	98176.59	34321.58	4379.18	3258.84	3498.22
Sucrose	125012.26	139961.44	130213.82	109129.12	83275.04	279708.59	145891.11	95758.24	136699.17	213467.38	171212.22	198675.48	37615.77	212579.14	282294.78	189315.45	1018136.5	290773.16	386452.22	346541.72	247119.81	230853.45	156972.3	320605.09	21454.33	3455.05	3772.21
Dodecanoylcarnitine	51767.92	42962.18	5339.95	29691.2	61601.32	390.59	1276.08	40144.69	17490.2	1099.66	52912.64	20679.74	4098.28	18297.3	4236.72	43140.86	75875.84	55623.51	2168.49	56252.94	89899.13	35229.93	25001.88	6836.56	0	326.05	0
Thiamine monophosphate	1060893.38	1183358.62	735521.19	897342	1161678.38	415.68	6187.44	972563	1105285.62	13959.48	989793.69	1294063.62	6305.64	1031367.75	1356556.25	1132123.12	1005853.5	816399.5	11173.81	893002.94	1312740.12	1376659.12	344890.22	6981.8	0	0	328.12
Adenosine monophosphate	11739188	20627234	5486721.5	3020501.75	14996525	184351.17	926686.5	13538765	14492411	519673.5	12668913	8812298	889059.06	29323510	9568135	9956172	16542952	18581066	1052339	11919676	12652489	58932916	2849669.25	3131577.25	7129.72	4598.36	31065.92
Inosinic acid	95741344	99000200	52968304	43392032	92881752	789177.81	2568704.25	48008460	61669952	807567.5	65726052	57356996	472442.59	32963954	25325034	31294090	30764768	25737466	1392294.62	41851924	13920700	55425044	40860160	3561165.25	1486.36	480.9	222943.81
FA_C23:1	65688.15	56383.81	110852.98	25854.74	62223.36	36430.56	32050.53	73440.11	91098.15	38402.12	67025.25	97336.44	56368.77	68448.62	56973.75	151757.08	80273.19	65061.29	56021.45	128023.38	60753.12	106326.7	137496.23	43093.75	10067.25	5857.79	4993.65
FA_C23:0	169819.2	125157.84	317132.47	199479.38	250643.2	638800.44	257760.5	230146.36	258547.17	496892.47	219688	188556.92	343514.03	201297.19	248554.08	366153.16	230578.64	239591	680651.94	269423.5	188057.8	265502.94	472316.25	534981.81	109499.3	62510.58	61327.39
FA_C24:6	497808.88	537238.31	634121.31	372468.16	789792.69	13167.23	17113.83	475929.16	539565.19	31403.86	706573.56	801214.81	126313.4	931211.31	1399728.88	691998.5	1425081.88	538447.44	53052.75	1089163	1554225	1043582.19	487985.59	70614.09	0	0	0
FA_C24:5	202824.27	236536.55	235319.33	140753.84	301466.53	8368.44	6435.64	213115.08	303062.28	10414.8	293723.75	328492.78	49550.95	408047.34	488368.97	239162.58	494940.75	160549.77	26302.96	480562.84	587311.88	356516.5	225716.98	25003.15	717.12	385.88	0
Cortisol	44355.86	136949.14	68490.85	146728.52	135204.27	68400.7	102106.54	83918.37	135391.73	111624.84	65774.84	110442.98	122080.19	158198.19	77981.74	88998	76992.62	56950.09	98648.23	67718.3	64548.85	113662.41	94953.7	111268.56	4322.48	531.2	311.99
Guanosine monophosphate	625817.69	731475	339028.03	335925.47	592726.06	19501.7	65769.23	484887.09	597902.12	28458.88	678116.81	497551.75	55286.27	1215231.38	782421.69	767353.5	888343.06	993766.5	48738.31	780500.19	856985.25	1400090.62	526097.56	133186.17	2242.33	1474.78	6991.73
N-palmitoyl taurine	2702349.75	3242178.25	2320351.75	2351337.25	2986984.25	100798.65	185002.05	2698091.75	2425359.75	197885.36	2417055.75	1804481.62	375820.03	4512725.5	5027552.5	3128243.75	4216330.5	3161210.25	297131.78	4627865	4454428.5	5888909.5	977696.06	633160.94	0	500.85	39338.54
Xanthylic acid	12557.05	11547.06	9527.72	9407.77	12776.83	0	0	8544.46	9188.33	0	14145.95	19885.4	0	9034.82	12417.29	9239.29	5328.6	8498.31	0	8822.47	8306.53	9788.8	3887.08	0	0	0	0
Tetrahydrocortisone	35702.75	100291.81	133796.23	59883.47	59202.73	271518.34	175298.89	69265.27	92710.52	89745.81	47491.99	65718.66	42342.91	78594.54	69995.23	84604.58	65980.8	76933.71	120808.45	64302.57	24849.28	91419.66	120460.41	110843.21	16923.38	6462.69	2386.73
FA_C24:2	157949.28	138186.14	155182.94	109272.25	175776.45	20027.75	23957.14	150336.45	184074.58	41776.5	212050.19	379337.5	26230.31	179276.17	169324.23	136400.14	204133.23	110505.8	42077.56	257347.23	200494.19	206625.33	222770	83485.65	1736.99	637.23	338.64
FA_C24:1	380340.47	314887.28	509637.72	298054.72	505009.34	152136.89	94622.62	386608.41	501946	186583.5	568660.94	795350.06	187799.88	490104.25	571625.5	591469.31	585437.69	267522.47	188158.64	550997.5	537468.12	521839.5	782033	273373.22	16542.33	14298.46	4623.77
Tetradecadienoyl carnitine C14:2	8270.38	4703.44	0	4419.02	21869.42	849.54	1153.79	4169.56	5289.91	923.48	20004.37	6697.92	4364.34	8905	2730.45	13348.34	57041.73	20949.85	1082.92	36920.6	33078.5	8394.09	6923.53	5057.24	686.27	1008.59	1781.96
Tetradecenoyl carnitine C14:1	42264.14	36428.16	6430.71	19087.16	58587.36	0	911.95	36999.42	34929.05	557.45	62290.28	38415.18	6030.66	46626.76	10213.8	65168.97	110567.63	67269.34	2873.12	122299.12	111692.74	48058.45	34465.19	7077.17	0	0	0
Arachidoyl glycine (C20:4)	33350.58	56162.57	16878.62	61378.07	36937.88	74778.13	127880.25	55417.72	25309.23	77180.73	13010.73	37586.2	100277.2	43543.55	31376.12	22614.66	36012.62	23977.12	252736	143198.2	30001.99	156513.78	122395.84	45819.12	21402.9	29506.84	17084.12
Myristoyl carnitine C14	68492.1	63485.96	6776.15	47444.07	99893.37	345.87	2157.8	79437.15	68417.53	856.51	99482.41	51290.36	6538.07	71509.61	16939.67	128603.34	213617.55	183118.55	2732.89	221796	224963.62	92639.9	62125.57	9594.4	0	0	0
Lithocholic acid	62944.96	290667.5	107157.23	156783.27	232050.7	820019	109923.6	12832.78	401658.53	189444.45	238503.08	17294.4	35271.91	6128.87	46210.89	5088.9	52244.06	94084.51	230319.27	28298.12	10901.32	15824.6	6381.94	274500.06	552.23	1855.41	458.79
sphingosine (d18:1-P)	105877.04	119238.41	93136.91	69963.73	138303.02	1486.95	8936.77	107225.41	62313.34	6646.12	60594.2	53022.21	15847.98	211537.98	226256.19	164022.36	246635.02	199769.86	9066.2	190214.94	164132.89	269600.03	68502.48	21676.52	0	0	0
S-Adenosylhomocysteine	96620.68	103695.45	66306.09	99543.12	89737.32	320.33	2883.52	67485.66	112469.31	1668.11	76402.34	128860.43	1658.29	48609.16	48369.32	36995.86	37680.18	38864.91	1237.2	70849.77	43325.11	46392.49	29565.37	2858.56	0	0	0
FA_C26:6	38986.2	42541.65	46199.6	41282.93	35671.82	5793.15	4431.63	32824.53	41237.96	5381.91	28935.71	27198.04	5868.85	39730.45	44443.14	41476.97	22641.31	18991.33	17828.64	42741.62	26408.36	41808.61	12065.21	9661.71	0	0	301.65
Pentadecanoyl carnitine C15:0	10535.65	12383.87	4887.93	15332.74	39382.58	510.59	555.64	26707.1	18701.6	965.73	32522.97	12947.82	3862.35	22662.48	3860.13	36971.5	59159.67	43097.44	1232.67	64683.19	63225.16	25865.99	20947.38	5076.16	301.65	286.77	0
FA_C26:5	149853.33	143002.81	296125.88	186565.55	176738.88	7989.52	11634.33	175822.3	175774.67	10415.86	151324.08	144460.64	15492.88	139449.05	118824.1	342159.28	107460.46	62430.72	21293.93	139017.31	151364.73	173546.86	38795.63	42203.11	627.02	380.95	0
N-linoleoyl taurine	1327914.38	1399600.38	1158318.62	1170123.62	1194712.38	39685.74	66781.57	1245550.62	1253927.62	60928.71	1040836.44	938982.69	188551.56	2967457	3178174	2654763	2502186	2465719.25	126092.52	3153656	3112883	3577678	863282.06	322666.31	0	306.62	85858.24
FA_C26:4	53178.23	80695.75	208972.52	78109.68	96512.01	8621.82	5915.69	71373.52	113235.5	18856.6	66596.66	63366.86	25633.46	83159.72	51987.31	234652.58	67460.78	48448.14	19525.05	87608.44	107989.68	86583.62	30960.2	59534.11	371.26	0	671.38
N-oleoyl taurine	1896345	1862430.38	1499162.38	1454652.38	1824581.62	39256.64	83739.45	1733471	1462526.62	93722.19	1669240	1575110.5	243011.25	3332949.25	3624566	2708371.5	3179753.25	2717378.25	160562.58	3329608.25	3243247.75	4387673.5	829665.5	473706	0	0	64363.34
N-stearoyl taurine	2167634	3036643	2185907.25	2220966	2554401.25	62790.86	130064.79	2407270.25	2104661.25	126306.21	2331258	1595236.12	200367.06	3708070.75	3756523	2863469.25	2660892.25	2747873.75	177147.64	2812065	3207259.75	3989129	593565.44	395985.97	397.6	0	64835.76
Hexadecadienoyl carnitine C16:2	30368.46	35308.74	0	14866.29	28596.69	0	456.4	26194.62	25280.08	397.58	27681.4	18304.54	2786.58	39603.16	2402	58205.81	78836.62	81103.78	1680.99	88483.63	97989.53	40588.66	29916.01	4409.05	0	0	0
Hexadecenoyl carnitine C16:1	102509.22	139310.69	5650.62	62335.94	135925.06	370.42	1689.26	95485.75	73884.86	1577.78	144017.2	90262.02	9725.06	114568.5	25134.87	158186.09	305664.66	208898.86	5461.06	371678.62	273061.25	153486.75	68822.4	24344.47	0	0	0
L-Palmitoylcarnitine	257963	371499.66	21431.32	155254.89	364945.09	1816.87	10058.65	316438.22	234321.02	3892.97	344407.66	283254.78	28784.66	234383.95	44654.37	263198.28	542295.56	558732.06	16523.45	579641.56	495576.88	274823.84	120382.82	81627.66	0	303.82	315.45
CDP	121726.79	102194.84	89578.93	62165.59	111175.15	976.48	12035.25	137825.02	75943.02	5089.39	107561.94	106321.41	7629.59	167258.23	83642.66	64586.47	71334.21	111452.54	4734.09	63924.43	87392.57	211101.83	31085.61	14254.12	0	0	0
Uridine 5'-diphosphate	453912.28	619184.81	354620.12	350380.03	552380.69	3321.14	31917.74	490678.41	369755.84	13342.7	508395.88	543840.44	27951.88	704272.56	493967.09	252447.73	318419.38	400960.91	19589.03	282398.09	389172.91	963928.25	134980.47	39128.14	371.89	543	551.15
Cholic acid	53938.74	7757.32	46932.58	25433.78	92371.16	17235.14	33524.02	116390.93	17730.21	20934.34	44602.31	152236.2	6823.65	61407.64	54175.78	46022.31	37296.05	113270.21	32481.77	194854.52	45760.27	115657.18	114354.28	50396.57	0	0	0
Trehalose 6-phosphate	60162.98	41434.12	167760.44	134167.02	49802.11	0	564.79	75778.45	33285.48	1494.16	163384.36	182097.19	0	4185.78	51500.53	32346.75	16614.13	5373.32	0	4459.93	15856.37	6509.12	9458.78	0	0	0	0
Linoleoyl carnitine C18:2	111221.21	195978.12	17385.78	76520.25	160166.48	63991.27	28316.1	115320.56	288066.38	50927.41	178823.45	150488.19	21268.95	152043.48	26554.67	184573.36	292166.12	308439.28	40137.39	445274.62	319886.12	147725.83	87221.06	45937.47	9057.36	1065.49	1347.93
Thiamine pyrophosphate	105287.47	122457.84	82658.98	104829.94	139560.95	25421.78	79830.34	108890.79	106840.82	78016.34	100653.28	102816.65	6802.91	216769.3	205445.5	118715.06	133705.23	155407.78	12115.79	99318.65	176876.39	216321.17	41370.95	11070.7	0	0	1192.33
Oleyl carnitine C18:1	197214.17	252987.52	13664.02	109199.25	280001.53	1847.86	7118.4	218229.44	195997.92	3858.37	282685.19	267476.72	25234.92	195170.7	37143.05	190058.81	424308.5	444571.59	14086.49	476740.16	416426.88	215231.05	83291.48	71096.07	1982.71	2317.07	1603.75
Cysteineglutathione disulfide	77386.71	48301.25	52098.25	56022.92	70664.35	443.38	5396.55	77235.79	33486.31	1223.34	40891.29	62414.7	4313.71	39545.23	48242.35	20620.15	26056.28	22960.84	2270.49	60364.94	33216.81	35549.73	40347.1	7590.06	473.61	0	0
ADP	10762491	13404992	10140609	9064256	12455559	245827.44	1222365.88	12823829	9432509	603567	11422523	12255936	996375.06	13740821	9786235	4935035.5	5550672.5	7429077.5	781523	5295635.5	6180344	18880902	1999976.62	1634270	1247.42	614.89	19895.3
Stearoyl carnitine C18	48679.78	70331.82	3805.62	28594.08	53950.22	352.92	1482.31	74419.41	43934.01	404.85	70516.82	44730.23	5868.33	37174.38	8789.85	36964.53	74411.25	98801.62	3199.47	76489.51	55180.11	39941.54	9781.84	15343.92	481.85	900.97	645.45
IDP	218081.25	175937.3	91064.25	359363.53	73384.52	0	3221.4	171770.69	216832.67	2136.08	59845.62	162567	464.69	96406.59	60791.11	51770.16	24077.22	48950.68	498.59	94082.84	25686.47	23604.01	46375.14	490.28	0	0	0
Guanosine diphosphate	73695.43	98651.9	89573.93	63140.53	110414.56	3268.5	20288.42	100951.16	71880.29	12525.6	102875.59	111314.41	18170.74	178732.81	111633.2	61733.92	79000.2	107668.1	11331.97	64132.39	84164.57	258638.12	29219.35	27018.27	0	0	552.27
CDP-Ethanolamine	530692	519887.75	408135.5	467776.47	582959	4046.99	17442.72	540292.5	525876.19	13448.67	587471.25	932904.25	49725.14	1618546.5	1463480.38	988083.31	929254.31	925340.75	30369.3	832969.06	1279030.88	1489750.38	638105	98543.75	0	0	0
Flavin Mononucleotide	37233.1	17700.21	15827.1	10706.55	14714.7	0	1727.93	25051.21	12983.5	762.08	17642.43	7399.93	1424.57	6325.08	14687.04	7289.02	27099.78	33537.81	2356.18	17928.7	21551.9	16193.24	3216.79	2566.87	0	0	0
Cholesterol sulfate	5651302.5	5199693.5	3905355.75	3905614	6063191.5	1381343.38	1927403.12	4981710	4420290	1547968.88	6021043.5	3654682	3700565.25	10905106	8432509	7490706.5	9921911	8388817	2008789.38	8248084	7705750.5	8768807	6349480	3808710.75	146816	9493.49	4498.03
N-lignoceryl taurine	34291.42	28514.32	20323.78	27112.15	32066.1	5513.36	7558.33	28743.02	32601.71	11193.25	29708.51	17284.67	11653.55	54503.14	33574.64	36920.71	39791.6	26996.19	8009.03	78082.93	46186.9	26967.06	65292.25	9163.2	3420.28	1884.1	1745.99
Thymidine 5'-triphosphate	33917.71	42283.72	37608.03	32476.18	35390.34	3686.21	1288.44	35602.7	25207.62	3522.52	48583	29525.09	5036.64	28865.48	39112.52	10222.14	10726.41	12682.3	4558.83	5008.21	16450.84	18720.38	3260.34	6224.26	4427.6	3896.82	3305.77
Cytidine triphosphate	406160.91	428855.41	402323.72	284161.75	519483.84	2682.62	20001.88	430062.41	309462.47	12301.26	476678.59	454064.28	10038.59	379796.34	335290.09	175952.64	203765.12	168629.36	7495.15	159495.75	214196.38	196695.17	82116.62	9246.58	388.41	1860.48	1095.07
Uridine triphosphate	3069317.25	3206655	2394242	2277316.75	3252591.75	9241.63	78738.95	2806558.75	2384300	36648.43	3144177	3484584	41309.12	2524185.25	2736739.75	1126199.88	1168119.62	1253795.62	34582.65	1222754.38	1455271.38	1328966.88	524536.44	44418.75	0	0	5046.64
Tauroursodeoxycholic acid peak 1	868886	72270.61	39878.07	99804	516536.41	13499.49	6066.34	64926.49	60407.18	23644.48	65609.73	113808.91	10563.58	518313.16	352993.34	169492.33	126069.55	109933.49	36104.06	436014.78	206861.95	422149.41	128978.05	47978.77	999.33	890.21	0
Taurodeoxycholic acid	412620.5	616882.62	28846.35	236568.05	538455.94	0	1746.25	293842.53	378360.22	370.08	449729.12	718164.5	5258.1	367831.59	82990.73	434534.16	877407.81	526547.94	4167.58	1285699.88	1142977.62	445753.16	195918.38	24015.43	0	0	0
Raffinose	48819.8	36841.05	30080.39	44298.52	51934.8	10536.03	3025.56	31354.02	33415.51	8108.91	59385.64	68923.92	3061.94	93875.23	67855.52	75121.66	84071.87	57796.38	11179.12	81226.62	52871.14	92751.8	49856.9	8654.07	0	0	0
Adenosine triphosphate	116017432	138122512	110487336	98179416	133176480	667108.69	5288016.5	138740624	103952832	3729736	127869384	131824312	2077047	85275592	86978064	40222012	39507000	43072892	2001112.62	43530812	48465268	43351972	15380531	2916414.75	1111.65	364.49	177897.62
Guanosine triphosphate	248736.81	255817.3	265754.19	158353.73	389257.88	4180.25	29998.71	305308.41	264816.28	23132.75	312678.91	299093.66	10797.95	288583.12	349248.56	130725.77	164672.36	130218.7	8501.74	120583.47	179840.38	191375.92	63039.48	14195.05	0	0	679.59
carnitine C26:0	488377	274473.16	224627.19	270073.69	487406.5	188611.8	122980.66	464162	335091.84	90433.59	360427.5	723281.75	221665.5	406552.97	550203.38	352036.25	727827.94	389876.62	390102.5	700300.94	380500.5	669335.31	605104.56	168245.89	23127.2	19060.08	28415.14
ADP-ribose	2325537.25	2309416.75	1551555.38	2180057.25	2708866.25	2807.73	8786.04	1656085.38	1891804.62	6511.2	3478193.25	3651609	15313.17	4144328.75	3388768.25	2968263.25	3020882.75	3618976.75	41778.03	4057162	2141544	2719248	1985068.38	103501.02	0	0	1221.22
Uridine diphosphate glucose	1894460	1385847	1358428.5	1412357.38	1792412.62	4020.63	35380.32	1465325.5	1144830.62	37850.36	2021955	1954298	44192.93	2216877.75	2061070	2178531	1440473.88	1060990.88	23170.62	1205815.5	1279708.88	1731522.62	547125.25	57743.83	0	0	0
carnitine C28:0	257225.45	197434.86	121841.85	144769.42	239527.19	118980.81	67773.15	248104.89	312050.72	57925.47	218755.55	342030.38	135715.39	282145.56	498730.16	275883.03	442485.59	269821.75	308065.28	446700.25	166071.19	269020.78	338651.78	212436.42	9087.38	8953.27	4891.8
Uridine diphosphate glucuronic acid	331291.66	288396.41	165564.8	126243.29	290118.84	1845.87	1846.76	192826.92	172351.8	2328.73	250400.89	203065.94	7567.71	198282.38	191735.62	136368.17	161810.67	85604.48	2429.87	124377.12	134488.73	191911.14	106215.29	6463.2	0	0	0
ADP-glucose	89107.34	79812.16	48030.05	53095.11	95075.09	0	0	78512.97	73021.44	0	78064.61	66320.73	0	70850.02	77134.59	44603.86	57919.96	46817.8	0	42774.55	61667.2	66818.85	22070.36	1995.94	0	0	0
GDP-Mannose	270440.91	298734.97	203166.05	180249.67	277680.03	0	3295.29	225202.7	223680.25	1718.81	302913.84	269380.62	747.6	223152.27	240921.23	108180.7	140690.56	132784.27	1444.36	93418.73	177687.02	223215.05	71834.82	4306.11	0	0	0
Uridine diphosphate-N-acetylglucosamine	2313131.75	2233143.25	1410389.38	1426852.88	2114951.25	1774.62	9975.44	1869705.62	1873829	7977.47	2120741.75	2007620.5	30390.14	2447459.5	2925770	1907724.38	2276816	1558861.38	13287.48	2217564	2787986.25	2248660.25	1007310.56	52682.59	0	0	0
Oxidized glutathione	1476886.38	1245819.75	777945	776062.06	850605	1102.54	16437.52	678392.69	813648.06	10743.74	887984.69	1065761.88	21660.91	1181270.25	1201504.62	456971.91	463135.09	342333.84	11219.28	570923.81	758885.44	762565.5	273714.66	17169.69	0	0	0
CMP-Sialic Acid	815768.31	915845.19	513408.03	481573.16	926951.31	0	9851.38	638289.25	743071.75	7414.68	798260.19	731587.75	4997.93	536208.38	655554.44	411576.28	379344.41	360558.16	4562.18	489472.75	424951.91	500033.38	148250.98	8773.92	0	0	0
NAD	20769630	20223762	11410211	12683235	20359094	3712.2	116088.38	15308497	14238716	59626.06	16924226	18379088	75257.74	10337491	9342888	6958550	7268480.5	7628578.5	52029.88	7913628	7566022.5	12694219	4192545.25	343985.25	441.85	585.33	854.34
Stachyose	77191.3	59743.22	44066.25	58660.73	53923.46	8530.87	4773.19	43712.03	55502.16	6444.87	85979.85	92948.38	5097.04	151079.06	112142.21	118244.54	152338.86	100672.22	11171.63	129461.98	74460.72	128259.88	75104.16	13186.82	0	0	0
C18 Sphingomyelin (d18:1/18:0)	43417.54	35387.53	28932.17	44058.57	33613.03	0	5123.38	42321.66	37042.6	1651.56	36854.77	25951.65	1717.29	16307.44	14316.59	14634.98	16281.72	19313.66	421.78	9053.29	10526.94	20334.88	6653.99	1008.73	0	0	0
NADP	384599.75	420307.72	266714.03	297425.78	398688.38	944.5	6175.24	357744.22	269180.97	1662.58	381092.91	352094.97	780.93	510680.91	450529.84	214368.2	233346.23	216562.88	620.31	233825.94	261304.95	327768.28	73803.79	674.56	893.01	597.04	629.54
FAD	124102.12	177254.8	78109.54	124727.46	96747.74	0	0	1796.18	53375.14	0	126706.99	128330.75	0	269407.44	255338.33	162109.91	234326.11	242453.52	0	135804.39	153924.89	229961.25	42296.14	2971.33	0	0	0
Acetyl-CoA	22746.16	72420.35	43322.85	48802.76	14587.43	0	940.08	38521.68	40089.69	0	49192.27	6604.91	850.73	165628.81	124895.23	113197.47	111755.49	62768.05	3392.69	66687.94	105034.16	198868.75	52785.55	11124.51	0	0	0
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Formula	rt	HMDB	PubChem	ChEBI	KEGG	METLIN
Tryptophanol	C10H11NO	2.76	HMDB0003447	10685	17890	C00955	6932
Inosine	C10H12N4O5	8.43	HMDB0000195	6021	17596	C00294	84
Adenosine 2',3'-cyclic phosphate	C10H12N5O6P	8.5	HMDB0011616	441483	27520	C08355	NA
Inosinic acid	C10H13N4O8P	13.68	HMDB0000175	8582	17202	C00130	5196
Xanthylic acid	C10H13N4O9P	NA	HMDB0001554	73323	15652	C00655	NA
Adenosine	C10H13N5O4	8.5	HMDB0000050	60961	16335	C00212	86
Guanosine	C10H13N5O5	9.58	HMDB0000133	6802	16750	C00387	87
Thymidine	C10H14N2O5	5.27	HMDB0000273	5789	17748	C00214	3375
Ribothymidine	C10H14N2O6	7.04	HMDB0000884	445408	30821		5843
IDP	C10H14N4O11P2	13.82	HMDB0003335	644173	17808	C00104	6892
Deoxyadenosine monophosphate	C10H14N5O6P	13.38	HMDB0000905	12599	17713	C00360	3461
Adenosine monophosphate	C10H14N5O7P	13.5	HMDB0000045	6083	16027	C00020	5111
Guanosine monophosphate	C10H14N5O8P	13.79	HMDB0001397	6804	17345	C00144	6216
ADP	C10H15N5O10P2	13.86	HMDB0001341	6022	16761	C00008	6175
Guanosine diphosphate	C10H15N5O11P2	13.99	HMDB0001201	8977	17552	C00035	6077
Biotin	C10H16N2O3S	8.58	HMDB0000030	171548	15956	C00120	243
Anserine	C10H16N4O3	13.89	HMDB0000194	112072	18323	C01262	5209
Homocarnosine	C10H16N4O3	14.27	HMDB0000745	10243361	491179	C00884	270
Adenosine triphosphate	C10H16N5O13P3	14.01	HMDB0000538	5957	15422	C00002	5523
Guanosine triphosphate	C10H16N5O14P3	14.34	HMDB0001273	6830	15996	C00044	6128
Thymidine 5'-triphosphate	C10H17N2O14P3	13.85	HMDB0001342	64968	18077	C00459	NA
Glutathione	C10H17N3O6S	13.05	HMDB0000125	124886	16856	C00051	44
Propenoyl carnitine C3:1	C10H17NO4	7.31		NA	NA		NA
Argininosuccinic acid	C10H18N4O6	NA	HMDB0000052	16950	15682	C03406	5115
Capryloylglycine	C10H19NO3	2.85	HMDB0000832	84290	74099		5795
Xanthurenic acid	C10H7NO4	7.24	HMDB0000881	5699	217069	C02470	5841
Indoleacetaldehyde	C10H9NO	2.65	HMDB0001190	800	18086	C00637	6068
1H-Indole-3-acetamide	C10H9NO2	5.05	HMDB0029739	397	16031	C02693	NA
Indole-3-propionic acid	C11H11NO2	2.98	HMDB0002302	3744	43580		6602
Indolelactic acid	C11H11NO3	2.84	HMDB0000671	92904	24813	C02043	5641
L-Tryptophan	C11H12N2O2	8.6	HMDB0000929	6305	16828	C00078	5879
5-Hydroxy-L-tryptophan	C11H12N2O3	10.24	HMDB0000472	144	28171	C01017	NA
5'-Methylthioadenosine	C11H15N5O3S	4.72	HMDB0001173	439176	17509	C00170	3425
N-acetylaspartylglutamic acid (NAAG)	C11H16N2O8	13.2	HMDB0001067	188803	73688	C12270	NA
Ophthalmic acid	C11H19N3O6	13.23	HMDB0005765	7018721	84058	C21016	NA
N-Acetylneuraminic acid	C11H19NO9	13.18	HMDB0000230	445063	45744	C19910	3321
Saccharopine	C11H20N2O6	14.22	HMDB00279	160556	16927	C00449	383
CDP-Ethanolamine	C11H20N4O11P2	13.8	HMDB0001564	123727	16732	C00570	3538
C11:0(Undecanoic acid)	C11H22O2	2.54	HMDB0000947	8180	32368	C17715	5894
Lumichrome	C12H10N4O2	4.13	METPA0216	NA	17781	C01727	NA
Thiamine	C12H16N4OS	NA	HMDB0000235	1130	18385	C00378	5242
Thiamine monophosphate	C12H17N4O4PS	15.01	HMDB0002666	3382778	37574	C01081	3488
Thiamine pyrophosphate	C12H18N4O7P2S	NA	HMDB0001372	1132	9532	C00068	2832
Pirbuterol	C12H20N2O3	NA	HMDB0015407	4845	724172	C07807	NA
Sucrose	C12H22O11	13.34	HMDB0000258	5988	17992	C00089	137
Lactose	C12H22O11	13.76	HMDB0041627	6134	36218	C01970	NA
Trehalose 6-phosphate	C12H23O14P	13.96	HMDB0001124	122336	18283	C00689	6019
Cysteineglutathione disulfide	C13H22N4O8S2	13.8	HMDB0000656	53477713	NA		5628
Tridecanoic acid	C13H26O2	NA	HMDB0000910	12530	45919	C17076	5866
S-Adenosylhomocysteine	C14H20N6O5S	13.37	HMDB0000939	439155	16680	C00021	296
FA_C14:2	C14H24O2	2.58		NA	NA		NA
C14:1(Myristoleic acid)	C14H26O2	2.54		NA	NA		NA
C14:0(Myristic acid)	C14H28O2	2.55	HMDB0000806	11005	28875	C06424	196
Uridine diphosphate glucuronic acid	C15H22N2O18P2	13.8	HMDB0000935	17473	17200	C00167	5884
ADP-ribose	C15H23N5O14P2	13.31	HMDB0001178	33576	16960	C00301	6059
Uridine diphosphate glucose	C15H24N2O17P2	13.51	HMDB0000286	53477679	NA	C00029	5278
FA_C15:2	C15H26O2	2.56		NA	NA		NA
FA_C15:1	C15H28O2	2.51		NA	NA		NA
FA_C15:0	C15H30O2	2.52		NA	NA		NA
ADP-glucose	C16H25N5O15P2	13.38	HMDB0006557	16500	15751	C00498	NA
GDP-Mannose	C16H25N5O16P2	14.11	HMDB0001163	18396	15820	C00096	6045
FA_C16:2	C16H28O2	2.51		NA	NA		NA
C16:1(Palmitoleic acid)	C16H30O2	2.5		NA	NA		NA
Flavin Mononucleotide	C17H21N4O9P	13.17	HMDB0001520	643976	17621	C00061	6295
Uridine diphosphate-N-acetylglucosamine	C17H27N3O17P2	NA	HMDB0000290	445675	16264	C00043	5281
FA_C17:2	C17H30O2	2.51		NA	NA		NA
FA_C17:1	C17H32O2	2.47		NA	NA		NA
Decanoyl carnitine C10	C17H33NO4	7.26		NA	NA		NA
FA_C17:0	C17H34O2	2.47		NA	NA		NA
FA_C18:4	C18H28O2	2.5		NA	NA		NA
FA_C18:3	C18H30O2	2.47		NA	NA		NA
Raffinose	C18H32O16	14.34	HMDB0003213	439242	16634	C00492	138
C18:2(Linoleic acid)	C18H32O2	2.47	HMDB0000673	5280450	17351	C01595	191
C18:1(Oleic acid)	C18H34O2	2.46		NA	NA		NA
sphingosine (d18:1)	C18H37NO2	4.29		NA	NA		NA
sphingosine (d18:1-P)	C18H38NO5P	7.3		NA	NA		NA
FA_C19:3	C19H32O2	2.43		NA	NA		NA
FA_C19:2	C19H34O2	2.44		NA	NA		NA
FA_C19:1	C19H36O2	2.42		NA	NA		NA
Dodecanoylcarnitine	C19H37NO4	6.97	HMDB0002250	168381	77086	NA	6573
FA_C19:0	C19H38O2	2.42		NA	NA		NA
Oxidized glutathione	C20H32N6O12S2	13.76	HMDB0003337	975	17858	C00127	6893
C20:4(Arachidonic acid)	C20H32O2	2.42		NA	NA		NA
FA_C20:3	C20H34O2	2.42		NA	NA		NA
FA_C20:2	C20H36O2	2.42		NA	NA		NA
FA_C20:1	C20H38O2	2.41		NA	NA		NA
Oleoyl ethanolamide	C20H39NO2	2.39		NA	NA		NA
sphingosine (d20:1)	C20H41NO2	4.2		NA	NA		NA
NAD	C21H27N7O14P2	13.68	HMDB0000902	5893	15846	C00003	5858
NADP	C21H28N7O17P3	13.82	HMDB0000217	5886	18009	C00006	5227
Cortisol	C21H30O5	2.93	HMDB0000063	657311	NA	C00735	5124
Tetrahydrocortisone	C21H32O5	NA	HMDB0000903	12444617	NA		1915
Tetradecadienoyl carnitine C14:2	C21H37NO4	7.21		NA	NA		NA
Tetradecenoyl carnitine C14:1	C21H39NO4	7.19		NA	NA		NA
FA_C21:1	C21H40O2	2.4		NA	NA		NA
Myristoyl carnitine C14	C21H41NO4	7.19		NA	NA		NA
C22:6(Docosahexaenoic acid)	C22H32O2	2.37		NA	NA		NA
FA_C22:5	C22H34O2	2.4		NA	NA		NA
FA_C22:4	C22H36O2	2.4		NA	NA		NA
FA_C22:3	C22H38O2	2.39		NA	NA		NA
FA_C22:2	C22H40O2	2.41		NA	NA		NA
C22:1(Erucic acid)	C22H42O2	2.39		NA	NA		NA
Pentadecanoyl carnitine C15:0	C22H43NO4	6.19		NA	NA		NA
Acetyl-CoA	C23H38N7O17P3S	13.14	HMDB0001206	444493	15351	C00024	6082
Hexadecadienoyl carnitine C16:2	C23H41NO4	7.14		NA	NA		NA
Hexadecenoyl carnitine C16:1	C23H43NO4	7.15		NA	NA		NA
FA_C23:1	C23H44O2	2.35		NA	NA		NA
L-Palmitoylcarnitine	C23H45NO4	6.38	HMDB0000222	11953816	17490	C02990	5231
FA_C23:0	C23H46O2	2.35		NA	NA		NA
FA_C24:6	C24H36O2	2.39		NA	NA		NA
FA_C24:5	C24H38O2	2.37		NA	NA		NA
Lithocholic acid	C24H40O3	2.73	HMDB0000761	11740284	16325	C03990	209
Cholic acid	C24H40O5	7.03	HMDB0000619	221493	16359	C00695	206
Stachyose	C24H42O21	15.298	HMDB0003553	439531	17164	C01613	6951
FA_C24:2	C24H44O2	2.35		NA	NA		NA
FA_C24:1	C24H46O2	2.34		NA	NA		NA
Linoleoyl carnitine C18:2	C25H45NO4	6.83		NA	NA		NA
Oleyl carnitine C18:1	C25H47NO4	6.56		NA	NA		NA
Stearoyl carnitine C18	C25H49NO4	6.47		NA	NA		NA
FA_C26:6	C26H40O2	2.37		NA	NA		NA
FA_C26:5	C26H42O2	2.35		NA	NA		NA
FA_C26:4	C26H44O2	2.33		NA	NA		NA
Taurodeoxycholic acid	C26H45NO6S	NA	HMDB0000896	2733768	9410	C05463	5853
FAD	C27H33N9O15P2	NA	HMDB0001248	643975	16238	C00016	6106
Cholesterol sulfate	C27H46O4S	NA	HMDB0000653	65076	41321	C18043	5625
Glyoxylic acid	C2H2O3	11.6607	HMDB0000119	760	16891	C00048	3213
Glycolic acid	C2H4O3	9.09	HMDB0000115	757	17497	C00160	3219
Glycine	C2H5NO2	13.3	HMDB0000123	750	15428	C00037	20
Acetylphosphate	C2H5O5P	13.23	HMDB0001494	186	15350	C00227	6278
Hypotaurine	C2H7NO2S	14	HMDB0000965	107812	16668	C00519	281
Taurine	C2H7NO3S	10.78	HMDB0000251	1123	15891	C00245	31
O-Phosphoethanolamine	C2H8NO4P	14.15	HMDB0000224	1015	17553	C00346	5233
carnitine C26:0	C33H65NO4	2.51		NA	NA		NA
carnitine C28:0	C35H69NO4	2.5		NA	NA		NA
Mesoxalic acid	C3H2O5	13.8	HMDB0031522	10132	30842	C00830	NA
Pyruvic acid	C3H4O3	4.08	HMDB0000243	1060	32816	C00022	117
Hydroxypyruvic acid	C3H4O4	3.92	HMDB0001352	964	30841	C00168	482
Malonic acid	C3H4O4	13.04	HMDB0000691	867	30794	C00383	3237
Phosphoenolpyruvic acid	C3H5O6P	13.86	HMDB0000263	1005	44897	C00074	5264
Glyceric acid	C3H6O4	10.56	HMDB0000139	439194	32398	C00258	280
Guanidoacetic acid	C3H7N3O2	13.1	HMDB0000128	763	16344	C00581	5163
L-Alanine	C3H7NO2	12.99	HMDB0000161	5950	16977	C00041	NA
L-Serine	C3H7NO3	13.4	HMDB0000187	5951	17115	C00065	5203
GAP/DHAP	C3H7O6P	13.51	HMDB0001473	668	16108	C00111	6262
Phosphoserine	C3H8NO6P	13.94	HMDB0000272	68841	15811	C01005	5270
2,3-Diphosphoglyceric acid	C3H8O10P2	NA	HMDB0001294	186004	17720	C01159	153
Glycerol	C3H8O3	7.01	HMDB0000131	753	17754	C00116	105
Glycerol 3-phosphate	C3H9O6P	13.56	HMDB0000126	439162	15978	C00093	5161
Phosphocreatine	C4H10N3O5P	13.55	HMDB0001511	587	17287	C02305	6288
Threitol	C4H10O4	8.42	HMDB0094689	222285	48300	C16884	140
Uracil	C4H4N2O2	5.03	HMDB0000300	1174	17568	C00106	258
Fumaric acid	C4H4O4	11.61	HMDB0000134	444972	18012	C00122	3242
Oxalacetic acid	C4H4O5	NA	HMDB0000223	970	30744	C00036	123
Cytosine	C4H5N3O	7.99	HMDB0000630	597	16040	C00380	283
Dihydrouracil	C4H6N2O2	4.4	HMDB0000076	649	15901	C00429	285
Allantoin	C4H6N4O3	7.82	HMDB0000462	204	15676	C01551	89
Succinic acid	C4H6O4	12.10826995	HMDB0000254	1110	15741	C00042	114
Methylmalonic acid	C4H6O4	12.98	HMDB0000202	487	30860	C02170	3712
L-Malic acid	C4H6O5	13.28	HMDB0000156	222656	30797	C00149	NA
Acetylglycine	C4H7NO3	8.73	HMDB0000532	10972	40410		5517
L-Aspartic acid	C4H7NO4	13.46	HMDB0000191	5960	17053	C00049	5206
Ureidopropionic acid	C4H8N2O3	11	HMDB0000026	111	18261	C02642	5097
L-Asparagine	C4H8N2O3	13.46	HMDB0000168	6267	17196	C00152	14
Acetoin	C4H8O2	12.68	HMDB0003243	4068	15688	C00466	103
Threonic acid	C4H8O5	10	HMDB0000943	151152	49059	C01620	5891
Creatine	C4H9N3O2	12.98	HMDB0000064	586	16919	C00300	7
Dimethylglycine	C4H9NO2	11.34	HMDB0000092	673	17724	C01026	277
Gamma-Aminobutyric acid	C4H9NO2	11.42	HMDB0000112	119	16865	C00334	NA
L-Threonine	C4H9NO3	12.97	HMDB0000167	6288	16857	C00188	32
L-Homoserine	C4H9NO3	13.31	HMDB0000719	12647	15699	C00263	5687
L-Homocysteic acid	C4H9NO5S	NA	HMDB0002205	177491	488363	C16511	6545
D-Erythrose 4-phosphate	C4H9O7P	13.76	HMDB0001321	122357	48153	C00279	6158
L-Glutamine	C5H10N2O3	13.3	HMDB0000641	5961	18050	C00064	5614
2-Hydroxyvaleric acid	C5H10O3	4	HMDB0001863	98009	60647		NA
D-Xylose	C5H10O5	10.04	HMDB0000098	135191	53455	C00181	314
D-Arabinose	C5H10O5	10.6	HMDB0029942	66308	46983		NA
L-Valine	C5H11NO2	11.01	HMDB0000883	6287	16414	C00183	5842
Methionine sulfoxide	C5H11NO3S	12.98	HMDB0002005	847	49033		6428
D-Ribose 5-phosphate	C5H11O8P	13.67	HMDB0001548	439167	52742	C00117	6315
Ornithine	C5H12N2O2	16.6	HMDB0000214	6262	15729	C00077	27
Methionine sulfoximine	C5H12N2O3S	12.83	HMDB0029430	16118	47833	C03510	NA
Glycerol-CH3COO	C5H12O5	6.6		NA	NA		NA
Ribitol	C5H12O5	9.27	HMDB0000508	NA	15963	C00474	316
Orotic acid	C5H4N2O4	7.85	HMDB0000226	967	16742	C00295	318
Hypoxanthine	C5H4N4O	7.5	HMDB0000157	790	17368	C00262	83
Adenine	C5H5N5	7.28	HMDB0000034	190	16708	C00147	85
Thymine	C5H6N2O2	4.45	HMDB0000262	1135	17821	C00178	290
Citraconic acid	C5H6O4	13.51	HMDB0000634	643798	17626	C02226	5607
Oxoglutaric acid	C5H6O5	11.34	HMDB0000208	51	30915	C00026	5218
1-Pyrroline-5-carboxylic acid	C5H7NO2	NA	HMDB0001301	1196	1372	C04322	6145
Pyroglutamic acid	C5H7NO3	9.03	HMDB0000267	7405	18183	C01879	3251
Ureidosuccinic acid	C5H8N2O5	13.48	HMDB0000828	93072	15859	C00438	5791
Tiglic acid	C5H8O2	4.07	HMDB0001470	125468	9592	C08279	6261
Dimethylmalonic acid	C5H8O4	9.07	HMDB0002001	11686	111517		6425
Glutaric acid	C5H8O4	12.24	HMDB0000661	743	17859	C00489	3254
Citramalic acid	C5H8O5	13.5	HMDB0000426	1081	15584	C00815	5415
Histamine	C5H9N3	14	HMDB0000870	774	18295	C00388	68
L-Proline	C5H9NO2	11.81	HMDB0000162	145742	17203	C00148	29
5-Aminolevulinic acid	C5H9NO3	12.21	HMDB0001149	137	17549	C00430	6037
Propionylglycine	C5H9NO3	13.15	HMDB0000783	98681	89836		5749
O-Acetylserine	C5H9NO4	10.2	HMDB0003011	99478	17981	C00979	3270
N-Acetylserine	C5H9NO4	10.51	HMDB0002931	65249	45441		308
L-Glutamic acid	C5H9NO4	13.21	HMDB0000148	33032	16015	C00025	5174
N-Acetylasparagine	C6H10N2O4	10.64	HMDB0006028	99715	NA		NA
3-Hydroxymethylglutaric acid	C6H10O5	12.19	HMDB0000355	1662	16831	C03761	5344
2-Hydroxyadipic acid	C6H10O5	12.83	HMDB0000321	193530	17023	C02360	5310
5-Keto-D-gluconate	C6H10O7	11	HMDB0011731	157	NA	C01062	NA
Galacturonic acid	C6H10O7	13.43	HMDB0002545	84740	47962	C08348	6713
Pipecolic acid	C6H11NO2	11.72	HMDB0000070	849	17964	C00408	50
N-Butyrylglycine	C6H11NO3	7.56	HMDB0000808	88412	89963		5772
N-Formyl-L-methionine	C6H11NO3S	6.8	HMDB0001015	6995182	16552	C03145	5945
Aminoadipic acid	C6H11NO4	13.35	HMDB0000510	469	37024	C00956	5496
L-Cystine	C6H12N2O4S2	13.8	HMDB0000192	67678	16283	C00491	5207
2-Hydroxycaproic acid	C6H12O3	2.9	HMDB0001624	99824	86542		6332
L-Fucose	C6H12O5	9.06	HMDB0000174	17106	2181	C01019	268
2-Deoxyglucose	C6H12O5	7.9	HMDB0062477	108223	15866	NA	NA
D-Glucose	C6H12O6	11.75	HMDB0000122	5793	4167	C00031	133
D-Galactose	C6H12O6	12.12	HMDB0000143	439357	28061	C00984	134
myo-Inositol	C6H12O6	13.86	HMDB0000211	NA	17268	C00137	5221
Citrulline	C6H13N3O3	13.56	HMDB0000904	9750	16349	C00327	16
Glucosamine	C6H13NO5	NA	HMDB0001514	439213	5417	C00329	266
Glucosamine 6-sulfate	C6H13NO8S	10.83	HMDB0000592	72361	133343	C04132	5571
6-Phosphogluconic acid	C6H13O10P	NA	HMDB0001316	91493	48928	C00345	367
Hexose phosphate	C6H13O9P	13.86	HMDB0001586	439165	16077	C00103	6331
L-Lysine	C6H14N2O2	17.53	HMDB0000182	5962	18019	C00047	5200
L-Arginine	C6H14N4O2	17.87	HMDB0000517	6322	16467	C00062	5502
Glucosamine 6-phosphate	C6H14NO8P	13.85	HMDB0001254	439217	15873	C00352	6111
Fructose 1,6-bisphosphate	C6H14O12P2	13.9	HMDB0001058	172313	16905	C00354	147
Mannitol 1-phosphate	C6H15O9P	13.66	HMDB0001530	130418	16298	C00644	6302
Pterin	C6H5N5O	NA	HMDB0000802	73000	18265	C00715	5766
Niacinamide	C6H6N2O	4.26	HMDB0001406	936	17154	C00153	1497
Urocanic acid	C6H6N2O2	8.58	HMDB0000301	736715	30817	C00785	298
Aconitate	C6H6O6	13.67	HMDB0000072	643757	32805	C00417	5130
Methylimidazoleacetic acid	C6H8N2O2	9.05	HMDB0002820	75810	NA	C05828	3774
3-Methylglutaconic acid	C6H8O4	10.51	HMDB0000522	1551553	37245		5507
Oxoadipic acid	C6H8O5	12.4	HMDB0000225	71	15753	C00322	5234
1,2,3-Propanetricarboxylic acid	C6H8O6	13.75	HMDB0031193	14925	45969	C19806	NA
Citric acid	C6H8O7	13.98	HMDB0000094	311	30769	C00158	124
L-Histidine	C6H9N3O2	14.24	HMDB0000177	6274	15971	C00135	21
N-Acetyl-L-aspartic acid	C6H9NO5	NA	HMDB0000812	65065	21547	C01042	5776
Methylhistidine	C7H11N3O2	14.76	HMDB0000001	92105	50599	C01152	3741
Glycylproline	C7H12N2O3	12.72	HMDB0000721	79101	356660		5689
N-Acetylglutamine	C7H12N2O4	10.56	HMDB0006029	25561	73685		NA
3-Methyladipic acid	C7H12O4	11.41	HMDB0000555	6999745	NA		3797
N-Acetylornithine	C7H14N2O3	13.84	HMDB0003357	439232	16543	C00437	NA
Diaminopimelic acid	C7H14N2O4	14.7	HMDB0001370	439283	16026	C00666	352
Methyl beta-D-glucopyranoside	C7H14O6	8.8	HMDB0029965	445238	320055	NA	NA
Homocitrulline	C7H15N3O3	13.43	HMDB0000679	65072	17443	C02427	46
4-Trimethylammoniobutanoic acid	C7H15NO2	13.4	HMDB0001161	134	1941	C01181	6043
L-Carnitine	C7H15NO3	13.12	HMDB0000062	2724480	11060	C00318	52
4-Hydroxybenzaldehyde	C7H6O2	2.77	HMDB0011718	126	17597	C00633	NA
Dihydroxybenzoic acid	C7H6O4	2	HMDB0013676	9338	545917		NA
3-Amino-4-hydroxybenzoate	C7H7NO3	4.16	NA	14262	29476	C12115	NA
Pyridoxal 5'-phosphate	C8H10NO6P	13.79	HMDB0001491	1051	18405	C00018	6275
Pyridoxamine 5'-phosphate	C8H13N2O5P	14.03	HMDB0001555	1053	18335	C00647	NA
Hexanoylglycine	C8H15NO3	3.05	HMDB0000701	99463	64390		5669
N-Alpha-acetyllysine	C8H16N2O3	13.65	HMDB0000446	192590	35704	C12989	5435
N6-Acetyl-L-lysine	C8H16N2O3	NA	HMDB0000206	92832	17752	C02727	5216
N-a-Acetyl-L-arginine	C8H16N4O3	13.26	HMDB0004620	67427	40521		NA
DL-2-Aminooctanoic acid	C8H17NO2	13	HMDB0000991	69522	75145		5923
Glycerophosphocholine	C8H20NO6P	13.31	HMDB0000086	71920	16870	C00670	370
Indoxyl sulfate	C8H7NO4S	2	HMDB0000682	10258	43355		524
Homogentisic acid	C8H8O4	2.96	HMDB0000130	780	44747	C00544	331
3-Nitrotyrosine	C9H10N2O5	11.61	HMDB0001904	65124	44454		6383
L-Phenylalanine	C9H11NO2	8.66	HMDB0000159	6140	17295	C00079	28
L-Tyrosine	C9H11NO3	10.73	HMDB0000158	6057	17895	C00082	34
Deoxyuridine	C9H12N2O5	6.14	HMDB0000012	13712	16450	C00526	5086
Uridine	C9H12N2O6	7.43	HMDB0000296	6029	16704	C00299	90
Uridine 5'-monophosphate	C9H13N2O9P	13.59	HMDB0000288	6030	16695	C00105	NA
Deoxycytidine	C9H13N3O4	8.1	HMDB0000014	13711	15698	C00881	3367
Cytidine	C9H13N3O5	9.11	HMDB0000089	6175	17562	C00475	3376
Uridine 5'-diphosphate	C9H14N2O12P2	13.88	HMDB0000295	6031	17659	C00015	NA
Cytidine monophosphate	C9H14N3O8P	13.76	HMDB0000095	6131	17361	C00055	5143
Carnosine	C9H14N4O3	14	HMDB0000033	439224	15727	C00386	38
Uridine triphosphate	C9H15N2O15P3	14.05	HMDB0000285	6133	15713	C00075	5277
CDP	C9H15N3O11P2	13.98	HMDB0001546	6132	17239	C00112	6313
Cytidine triphosphate	C9H16N3O14P3	14.23	HMDB0000082	6176	17677	C00063	5136
L-Acetylcarnitine	C9H17NO4	11.38	HMDB0000201	1	NA	C02571	5213
Pantothenic acid	C9H17NO5	8.29	HMDB0000210	988	7916	C00864	241
Muramic acid	C9H17NO7	13.09	HMDB0003254	22833605	28118	C06470	3381
2-Indolecarboxylic acid	C9H7NO2	2.74	HMDB0002285	72899	130363		6593
Indole-3-carboxylic acid	C9H7NO2	4.4	HMDB0003320	69867	24809	C19837	3795
Cinnamic acid	C9H8O2	NA	HMDB0000567	5372954	35699	C10438	310
3-Methylindole	C9H9N	3	HMDB0000466	6736	9171	C08313	5453
Carbamoyl phosphate	CH4NO5P	NA	HMDB0001096	278	17672	C00169	6002
Pyrophosphate	P2H4O7	NA	HMDB0000250	644102	18361	C00013	3306
3-Deoxy-d-glycero-d-galacto-2-nonulosonic Acid	C9H16O9	13.48	HMDB00425	22833524	NA		5414
C18 Sphingomyelin (d18:1/18:0)	C41H83N2O6P	6		NA	NA		NA
L-Fucitol	C6H14O5	8.7	HMDB0041500	3429	NA		NA
N-Glycolylneuraminic acid	C11H19NO10	13.49	HMDB00833	123802	62084	C03410	3580
CMP-Sialic Acid	C20H31N4O16P	13.84	HMDB0001176	448209	16556	C00128	NA
Fucose-1-phosphate	C6H13O8P	14.01	HMDB0001265	65369	12387	C02985	6120
Mevalonic acid	C6H12O4	7.91	HMDB0000227	449	25351	C00418	127
Mevalonic acid-5-phosphate	C6H13O7P	13.51	HMDB0001343	439400	17436	C01107	6177
N-oleoyl taurine	C20H39NO4S	2.19	HMDB0242113	4941625	NA		NA
Taurocyamine (Guanidinoethyl sulfonate)	C3H9N3O3S	11.1	HMDB0003584	68340	17228	C01959	6962
Tauroursodeoxycholic acid peak 1	C26H45NO6S	2.72	HMDB0000874	12443252	NA		NA
N-glutamyl taurine (glutaurine)	C7H14N2O6S	13.2	HMDB0004195	68759	27694	C05844	NA
N-lignoceryl taurine	C26H53NO4S	2.07		NA	NA		NA
N-palmitoyl taurine	C18H37NO4S	2.1	HMDB0240594	14504290	132477		NA
N-linoleoyl taurine	C20H37NO4S	2.09		NA	NA		NA
N-stearoyl taurine	C20H41NO4S	2.07	HMDB0240595	168274	132479		NA
Methylcitrate	C7H10O7	13.85		NA	NA		NA
Arachidoyl glycine (C20:4)	C22H43NO3	2.44		NA	NA		NA
Palmitoyl glycine (C16:0)	C18H35NO3	2.48		NA	NA		NA
METABOLITES_END
#END