#METABOLOMICS WORKBENCH JasonMiska_20240614_100943 DATATRACK_ID:4922 STUDY_ID:ST003262 ANALYSIS_ID:AN005346 PROJECT_ID:PR002024
VERSION             	1
CREATED_ON             	June 17, 2024, 9:54 am
#PROJECT
PR:PROJECT_TITLE                 	A Covalent Creatine Kinase Inhibitor Ablates Glioblastoma Migration and
PR:PROJECT_TITLE                 	Sensitizes Tumors to Oxidative Stress
PR:PROJECT_TYPE                  	LC-MS/MS
PR:PROJECT_SUMMARY               	Glioblastoma is a Grade 4 primary brain tumor defined by therapy resistance,
PR:PROJECT_SUMMARY               	diffuse infiltration, and near-uniform lethality. The underlying mechanisms are
PR:PROJECT_SUMMARY               	unknown, and no treatment has been curative. Using a recently developed kinase
PR:PROJECT_SUMMARY               	inhibitor (CKi), we explored the role of this inhibitor on GBM biology in vitro.
PR:PROJECT_SUMMARY               	While CKi minimally impacted GBM cell proliferation and viability, it
PR:PROJECT_SUMMARY               	significantly affected migration. In established GBM cell lines and
PR:PROJECT_SUMMARY               	patient-derived xenografts, CKi ablated both the migration and invasion of GBM
PR:PROJECT_SUMMARY               	cells. CKi also hindered radiation-induced migration. RNA-seq revealed a
PR:PROJECT_SUMMARY               	decrease in invasion-related genes, with an unexpected increase in glutathione
PR:PROJECT_SUMMARY               	metabolism and ferroptosis protection genes post-CKi treatment. The effects of
PR:PROJECT_SUMMARY               	CKi could be reversed by the addition of cell-permeable glutathione. Carbon-13
PR:PROJECT_SUMMARY               	metabolite tracing indicated heightened glutathione biosynthesis post-CKi
PR:PROJECT_SUMMARY               	treatment. Combinatorial CKi blockade and glutathione inhibition or ferroptosis
PR:PROJECT_SUMMARY               	activation abrogated cell survival. Our data demonstrated that CKi perturbs
PR:PROJECT_SUMMARY               	promigratory and anti-ferroptotic roles in GBM, identifying the creatine kinase
PR:PROJECT_SUMMARY               	axis as a druggable target for GBM treatment.
PR:INSTITUTE                     	Northwestern University, Feinberg School of Medicine
PR:DEPARTMENT                    	Neurological Surgery
PR:LABORATORY                    	Jason Miska
PR:LAST_NAME                     	Miska
PR:FIRST_NAME                    	Jason
PR:ADDRESS                       	676 N St. Clair
PR:EMAIL                         	jason.miska@northwestern.edu
PR:PHONE                         	8478678201
#STUDY
ST:STUDY_TITLE                   	A Covalent Creatine Kinase Inhibitor Ablates Glioblastoma Migration and
ST:STUDY_TITLE                   	Sensitizes Tumors to Oxidative Stress.
ST:STUDY_TYPE                    	Cki treatment on glioblastoma
ST:STUDY_SUMMARY                 	Glioblastoma is a Grade 4 primary brain tumor defined by therapy resistance,
ST:STUDY_SUMMARY                 	diffuse infiltration, and near-uniform lethality. The underlying mechanisms are
ST:STUDY_SUMMARY                 	unknown, and no treatment has been curative. Using a recently developed kinase
ST:STUDY_SUMMARY                 	inhibitor (CKi), we explored the role of this inhibitor on GBM biology in vitro.
ST:STUDY_SUMMARY                 	While CKi minimally impacted GBM cell proliferation and viability, it
ST:STUDY_SUMMARY                 	significantly affected migration. In established GBM cell lines and
ST:STUDY_SUMMARY                 	patient-derived xenografts, CKi ablated both the migration and invasion of GBM
ST:STUDY_SUMMARY                 	cells. CKi also hindered radiation-induced migration. RNA-seq revealed a
ST:STUDY_SUMMARY                 	decrease in invasion-related genes, with an unexpected increase in glutathione
ST:STUDY_SUMMARY                 	metabolism and ferroptosis protection genes post-CKi treatment. The effects of
ST:STUDY_SUMMARY                 	CKi could be reversed by the addition of cell-permeable glutathione. Carbon-13
ST:STUDY_SUMMARY                 	metabolite tracing indicated heightened glutathione biosynthesis post-CKi
ST:STUDY_SUMMARY                 	treatment. Combinatorial CKi blockade and glutathione inhibition or ferroptosis
ST:STUDY_SUMMARY                 	activation abrogated cell survival. Our data demonstrated that CKi perturbs
ST:STUDY_SUMMARY                 	promigratory and anti-ferroptotic roles in GBM, identifying the creatine kinase
ST:STUDY_SUMMARY                 	axis as a druggable target for GBM treatment.
ST:INSTITUTE                     	Northwestern University, Feinberg School of Medicine
ST:DEPARTMENT                    	Neurological Surgery
ST:LABORATORY                    	Jason Miska
ST:LAST_NAME                     	Miska
ST:FIRST_NAME                    	Jason
ST:ADDRESS                       	676 N St. Clair
ST:EMAIL                         	jason.miska@northwestern.edu
ST:PHONE                         	8478678201
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	12
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#FACTORS
#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           	-	Les-Jas-20230207-01	Sample source:Brain | Treatment:CTL	RAW_FILE_NAME=Les-Jas-20230207-01
SUBJECT_SAMPLE_FACTORS           	-	Les-Jas-20230207-02	Sample source:Brain | Treatment:CTL	RAW_FILE_NAME=Les-Jas-20230207-02
SUBJECT_SAMPLE_FACTORS           	-	Les-Jas-20230207-03	Sample source:Brain | Treatment:CTL	RAW_FILE_NAME=Les-Jas-20230207-03
SUBJECT_SAMPLE_FACTORS           	-	Les-Jas-20230207-04	Sample source:Brain | Treatment:1hr	RAW_FILE_NAME=Les-Jas-20230207-04
SUBJECT_SAMPLE_FACTORS           	-	Les-Jas-20230207-05	Sample source:Brain | Treatment:1hr	RAW_FILE_NAME=Les-Jas-20230207-05
SUBJECT_SAMPLE_FACTORS           	-	Les-Jas-20230207-06	Sample source:Brain | Treatment:1hr	RAW_FILE_NAME=Les-Jas-20230207-06
SUBJECT_SAMPLE_FACTORS           	-	Les-Jas-20230207-07	Sample source:Brain | Treatment:4hrs	RAW_FILE_NAME=Les-Jas-20230207-07
SUBJECT_SAMPLE_FACTORS           	-	Les-Jas-20230207-08	Sample source:Brain | Treatment:4hrs	RAW_FILE_NAME=Les-Jas-20230207-08
SUBJECT_SAMPLE_FACTORS           	-	Les-Jas-20230207-09	Sample source:Brain | Treatment:4hrs	RAW_FILE_NAME=Les-Jas-20230207-09
SUBJECT_SAMPLE_FACTORS           	-	Les-Jas-20230207-10	Sample source:Brain | Treatment:8hrs	RAW_FILE_NAME=Les-Jas-20230207-10
SUBJECT_SAMPLE_FACTORS           	-	Les-Jas-20230207-11	Sample source:Brain | Treatment:8hrs	RAW_FILE_NAME=Les-Jas-20230207-11
SUBJECT_SAMPLE_FACTORS           	-	Les-Jas-20230207-12	Sample source:Brain | Treatment:8hrs	RAW_FILE_NAME=Les-Jas-20230207-12
#COLLECTION
CO:COLLECTION_SUMMARY            	GBM cells were cultured under the conditions indicated in the manuscript, then
CO:COLLECTION_SUMMARY            	metabolites were collected using 80% methanol extraction.
CO:SAMPLE_TYPE                   	Brain
#TREATMENT
TR:TREATMENT_SUMMARY             	metabolites isolated from Cki treated cells. Samples 1-3 are control treatment,
TR:TREATMENT_SUMMARY             	Sample 4-6 are 1 hour CKi treatment, Samples 7-9 are 4 hours CKi treatmet, and
TR:TREATMENT_SUMMARY             	10-12 are 8 hours CKi treatment.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Isolated samples were dried using a SpeedVac. Acetonitrile (50%) was added to
SP:SAMPLEPREP_SUMMARY            	the tube for reconstitution following overtaxing for 30s. Sample solution was
SP:SAMPLEPREP_SUMMARY            	then centrifuged for 15min at 20,000g and 4°C. Supernatant was collected for
SP:SAMPLEPREP_SUMMARY            	LC-MS analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Samples were analyzed by high-performance LC (HPLC) and high-resolution MS and
CH:CHROMATOGRAPHY_SUMMARY        	MS/MS (HPLC-MS/MS). The system consists of Thermo Q Exactive with an
CH:CHROMATOGRAPHY_SUMMARY        	electrospray source and an UltiMate3000 (Thermo Fisher Scientific) series HPLC
CH:CHROMATOGRAPHY_SUMMARY        	consisting of a binary pump, degasser, and autosampler outfitted with an XBridge
CH:CHROMATOGRAPHY_SUMMARY        	Amide column (Waters; dimensions of 4.6 mm by 100 mm and a 3.5-μm particle
CH:CHROMATOGRAPHY_SUMMARY        	size). The mobile phase A contained 95% water/5% acetonitrile (v/v), 20 mM
CH:CHROMATOGRAPHY_SUMMARY        	ammonium hydroxide, and 20 mM ammonium acetate (pH 9.0); phase B was 100%
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile. The gradient was performed as follows: 0 min, 15% A; 2.5 min, 30%
CH:CHROMATOGRAPHY_SUMMARY        	A; 7 min, 43% A; 16 min, 62% A; 16.1 to 18 min, 75% A; and 18 to 25 min, 15% A
CH:CHROMATOGRAPHY_SUMMARY        	with a flow rate of 400 µl/min.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	Water's Xbridge amide (100 x 3mm, 3.5 um)
CH:SOLVENT_A                     	95% water/5% acetonitrile; 20 mM ammonium hydroxide; 20 mM ammonium acetate (pH
CH:SOLVENT_A                     	9.0)
CH:SOLVENT_B                     	100% acetonitrile
CH:FLOW_GRADIENT                 	0 min, 15% A; 2.5 min, 30% A; 7 min, 43% A; 16 min, 62% A; 16.1 to 18 min, 75%
CH:FLOW_GRADIENT                 	A; and 18 to 25 min, 15% A
CH:FLOW_RATE                     	400 μl/min
CH:COLUMN_TEMPERATURE            	-
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	The capillary of the electrospray ionization source was set to 275°C, with
MS:MS_COMMENTS                   	sheath gas at 45 arbitrary units, auxiliary gas at 5 arbitrary units, and the
MS:MS_COMMENTS                   	spray voltage at 4.0 kV. In positive/negative polarity switching mode, a
MS:MS_COMMENTS                   	mass/charge ratio (m/z) scan range from 70 to 850 was chosen and MS1 data were
MS:MS_COMMENTS                   	collected at a resolution of 70,000. The automatic gain control target was set
MS:MS_COMMENTS                   	at 1 × 106, and the maximum injection time was 200 ms. The top five precursor
MS:MS_COMMENTS                   	ions were subsequently fragmented, in a data-dependent manner, using the
MS:MS_COMMENTS                   	higher-energy collisional dissociation cell set to 30% normalized collision
MS:MS_COMMENTS                   	energy in MS2 at a resolution power of 17,500.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak area
MS_METABOLITE_DATA_START
Samples	Les-Jas-20230207-01	Les-Jas-20230207-02	Les-Jas-20230207-03	Les-Jas-20230207-04	Les-Jas-20230207-05	Les-Jas-20230207-06	Les-Jas-20230207-07	Les-Jas-20230207-08	Les-Jas-20230207-09	Les-Jas-20230207-10	Les-Jas-20230207-11	Les-Jas-20230207-12
Factors	Sample source:Brain | Treatment:CTL	Sample source:Brain | Treatment:CTL	Sample source:Brain | Treatment:CTL	Sample source:Brain | Treatment:1hr	Sample source:Brain | Treatment:1hr	Sample source:Brain | Treatment:1hr	Sample source:Brain | Treatment:4hrs	Sample source:Brain | Treatment:4hrs	Sample source:Brain | Treatment:4hrs	Sample source:Brain | Treatment:8hrs	Sample source:Brain | Treatment:8hrs	Sample source:Brain | Treatment:8hrs
1-methylnicotinamide+	7799753.722	9988125.805	101245686	5881691.603	11988434.3	10567108.93	9463413.658	12827150.42	12740823.58	6582861.107	8340249.952	9998279.773
1-phenylethylamine	26120857.13	41558361.92	20354189.53	24185851.29	18321220.64	21350833.69	23600905.79	15889503.15	21276939	14912257.24	19721635.82	11258938.66
2- / 3-phosphoglycerate	84949.89334	12877.84771	55689.24041	93153.52321	208778.4263	94520.66309	166466.4498	110833.5754	195366.2652	30983.77452	136049.0119	204319.8309
2,3-bisphospho-D-glycerate	19056.06926	29405.57087	42057.0934	13487.16913	38106.73347	18097.26655	49880.91058	31672.6562	197296.9951	0	0	23575.15544
2-/ 3- hydroxybutanoic acid	1990688.36	2399851.501	3661050.253	2572966.962	2196157.852	1889991.919	1516528.457	4792085.654	1628263.441	857144.0701	988712.9176	1278688.933
2-aminobutyric / 2-/3-aminoisobutyric acid	10855348.63	10312868.05	38023857.95	5982741.669	19529378.12	23090850.66	9095741.972	10998188.66	10740091.61	9968958.188	12001992.4	14270815.84
2-HG	699900.6745	421520.1022	2128966.604	2171668.009	1436197.529	1207052.651	1404211.686	516098.2545	632259.7387	1729399.521	2668943.245	1061870.248
2-ketovaleric acid	2923653.594	4804277.216	4131086.107	0	4448561.063	0	0	0	4004488.449	2681236.576	0	1434835.284
3- / 4-hydroxyphenylacetic acid	172996.7616	410045.9231	525886.8666	335619.2159	437487.7642	115848.6473	77095.52924	194161.7969	189288.8752	438836.5616	211274.9726	299449.8063
3- / 7-methylguanine	74899.26218	186620.5665	137118.5099	121951.4192	89176.78877	73211.48587	72589.93965	84399.15644	111363.3631	82452.95079	69990.45495	100718.0186
3-phospho-serine	27434.84259	15888.37665	46514.42233	0	36430.27987	76169.75074	0	10129.46044	67075.80272	0	0	0
4-hydroxybutyric acid	63462349.93	74428859.53	63564903.35	53276796.14	73926349.18	57914119.82	72033043.14	62581624.05	64401029.05	63377539.29	70312065.03	61829598.63
4-hydroxyproline / 5-aminolevulinate	1267747.265	2299814.746	2468877.447	3814865.906	1436432.107	2631991.738	3765681.451	4991645.363	3533753.123	4620077.039	2766671.365	1737941.529
5-HIAA	16582.2178	23005.90963	0	16333.24929	0	15231.30022	25860.20823	49959.56857	55075.57132	66430.49582	32238.58004	0
5-methylcytosine	427256.0514	510192.1725	278309.8988	497999.3672	356186.3373	261762.6216	416026.6246	230263.1075	407365.4994	418693.816	197013.4013	351058.027
5'-methylthioadenosine	8511086.144	9924309.628	11842653.11	14058280.93	9724246.007	13322407.22	13755550.25	12684353.15	16800297.76	30040716.67	15249912.61	27092794.78
6-phosphogluconic acid	1085867.213	1640464.52	2207001.608	2615904.315	3218794.027	4075907.128	10311693.9	10296985.58	15834232.62	26361539.38	20948047.72	30124456.82
acetylcarnitine+	48566803.84	18363645.52	212876291	19837473.54	287069457.3	179279984.4	75981677.23	68692630.65	64065401	19640895.77	124642770.2	114166825.7
acetylcholine+	11991841.05	7988744.884	9087320.626	9100760.936	11366430.62	8688015.254	6007836.129	5327051.955	7524023.019	5459859.96	4745009.824	5434795.357
acrylic acid	19669813.64	22941468.84	23382310.17	12261121.63	14580505.65	18835140.02	22738420.88	18425950.66	17357829.27	16991668.52	22046074.99	18719627.44
adenine	4294200.079	5966277.482	3639251.029	6084538.399	8352801.529	6056739.93	5331012.811	4709060.691	5346508.183	4809310.443	3658842.261	6095600.471
adenosine	22646507.56	14804891.8	12998135.21	6966701.883	6337404.156	14903123.96	13330824.54	7855549.022	15910413.14	4486852.649	7709675.566	7213814.877
ADP / dGDP	10809195.65	10327839.03	12665415.1	16145199.77	14859222.51	11724742.59	16058599.1	15510951.42	18757346.39	10420141.4	13207866.47	11389073.07
agmatine	7756.096152	168968.0153	45797.23021	38776.88046	42634.44844	86833.01673	268215.4937	92346.38909	67971.25107	112192.6175	72859.51092	216935.3844
alanine	13038558.25	8717349.559	17612299.12	15499880.43	16227194.08	17348381.88	16380491.6	18240223.15	16725391.47	16376946.07	16374199.4	19846544.69
alanine methyl ester	1107872.437	1081828.061	1345999.373	2524099.998	2358981.543	1355998.772	1046812.215	941457.9544	1958121.06	1750549.385	1147225.537	1093026.741
allantoin	2223826.323	3898958.164	2275888.601	2690334.272	2647938.099	3551517.503	3443694.113	2395641.986	3069023.651	3770369.426	2460536.245	3263798.735
arginine	236847419.5	727363965.2	276898155.5	307427495.5	255708872.9	507052873	459553375.6	325506619.4	609678320.3	442900460.2	385066047.4	518244787.8
asparagine	607878.6217	817064.3368	881235.3532	436152.015	656017.8266	508697.1786	1092937.116	1728484.339	1805379.9	734247.4059	649942.9455	1256304.522
aspartic acid	23401845.09	20428043.29	28400361.68	21366631.15	20243288.25	16393685.39	15657711.93	15712745.15	18464015.98	12329237.11	8785872.752	13083286.27
ATP / dGTP	68675569.56	104714404.6	83494833.14	98368073.17	99633359.01	118460561.2	104107590.9	106528957.2	206599553.8	62997016.09	84428807.87	82573151.5
betaine+	989948355.9	858237687.6	555076048.1	526582879.2	1162880138	651268870.4	1202571043	799939793	739928407.1	604232401.1	753095535	630326170.2
butyric acid / (iso)	31261956.15	43021663.83	42438793.87	45582594.75	25250365.8	54180501.19	42256172.33	37425476.86	45406739.41	44197633.8	34979862.62	39779867.25
butyrylcarnitine+	6668934.108	6419169.435	6246153.813	7994180.074	9118122.342	6293829.134	5144144.851	4674937.029	6894857.705	3821175.055	3928478.857	3284604.442
cAMP(2',3') / cAMP(3',5')	13128.64827	0	16449.65616	24175.53045	26073.34367	0	54237.97604	33536.10286	47748.33299	27766.74766	16099.69563	0
carnitine+	4170254.832	4031650.737	5921851.414	4395997.974	6174659.738	4257794.83	4353637.949	3085229.863	5092933.213	2145559.227	2286017.161	2441345.033
carnosine	0	184616.29	0	70655.24873	15479.45877	83372.72034	271009.9324	0	100503.943	78189.67426	0	127742.0573
CDP	1184815.715	1279402.345	1393328.62	2930594.26	2523439.243	2850362.956	3476710.92	2925374.193	4758049.909	3292266.193	2557399.836	3251806.366
choline+	693809950.9	706972433.4	834929473	579220247.1	846676964.1	606613442.8	499625851.2	499924037.7	614198422.7	510798134.9	496292041	446145577.7
citraconic acid	6680654.748	10012832.03	18923731.98	21769005.98	8782257.877	9790185.807	5336737.785	9291846.835	10812000.26	17479751.01	5521183.805	5283080.869
citrate / citrate(iso)	7242913.676	9471959.156	9463504.841	9799903.468	13506437.48	14534664.93	15381458.83	16526251.23	28602487.83	8254592.264	11418410.84	14000090.14
citrulline	480449.2386	509251.2932	737238.3501	648392.6921	563536.8722	221316.1142	347366.3652	522234.4785	395829.6275	691217.8955	806566.7298	592935.8779
creatine	51901180.88	49248921.97	81568159.17	54584741.32	78581589.37	70346731.32	69379457.17	68845209.03	80978897.07	58898245.91	60117265.2	69784270.34
creatinine	97060933.96	122143405.7	87318875.59	100296574.3	117476689.2	105995058.5	94724660.96	81458779.16	92537682.85	99877750.2	85681216.64	94929973.12
CTP	7097934.444	11760118.19	7631521.39	13580566.73	15126137.67	22261012.96	15856069.56	14796764.27	36312835.04	16486953.95	16232040.45	18014547.87
cystathionine	2882418.502	3705033.097	3029944.019	2604192.621	2708616.346	3291391.895	2762251.195	2987430.204	5067310.732	2306002.99	2879134.504	2499018.866
cystine	63111.07451	66838.23678	65430.46536	172479.0843	108394.7057	141150.2758	116595.9593	369658.8511	301287.0202	657420.9689	456102.1212	633557.2778
cytidine	0	81865.06777	0	9967.67481	0	13906.19378	38495.70468	47717.36977	136007.3804	250294.8955	34058.75378	185097.4222
cytosine	842285.0896	808794.4281	1198941.954	1251663.783	915068.851	567143.2023	758732.8141	776307.5485	853686.1753	876523.6389	749444.4104	627305.5763
dATP	153189.4377	277063.8523	305278.9809	41085.9843	61844.70706	141590.876	8209.268334	13657.9653	56145.38729	15987.36837	0	0
dCTP	261327.4214	511130.924	395325.9616	268061.0166	262284.7141	429246.7313	244922.7304	196631.5226	442047.1751	79194.17351	55157.47773	84667.2579
deoxyadenosine	93458.15856	125614.0413	154522.2259	8790.061383	39122.66438	33594.33523	9561.669441	0	0	0	0	0
deoxycarnitine+	1908873.33	2157817.551	2923401.792	1796555.985	2211993.199	1556919.268	2017280.1	2289874.574	2716856.57	1708193.5	1700541.7	1491120.761
deoxycytidine	81461.41689	81665.8826	92318.38657	63372.59525	86799.34381	27008.57221	25574.18086	9590.381727	0	0	0	0
deoxyguanosine	161801.3771	0	2837462.039	33198.86206	95266.97676	4876989.068	3042915.74	2216394.915	4150435.658	7404416.845	25793.6099	3151088.646
deoxyinosine	290438.9521	283668.9921	337231.6127	218503.489	205479.0423	173393.0322	241417.7762	246737.6391	353636.6025	137388.5551	267595.8402	222951.7558
deoxyuridine	26171.18488	42501.74849	0	16393.78594	26326.82919	12358.92183	0	14450.37309	0	0	0	79500.71539
D-galactonic acid / D-gluconic acid	749447.7114	1289577.353	2035805.99	1618360.647	1916233.624	1241752.235	2672226.517	3629244.83	3583101.053	10834015.09	5686383.877	9507632.827
dimethylglycine	1191186.421	456730.8276	1312415.227	764956.9677	895566.865	443381.2278	979025.0827	716828.6323	1086022.51	748352.6807	739597.9667	980055.8995
dopamine / octopamine	1861165.738	2229271.761	1149383.3	1628970.574	3929371.191	3480476.202	1547770.398	3142667.765	2772913.393	730255.0239	2378101.432	2051910.981
D-sedoheptulose	131015.0588	158842.8726	129099.164	85120.21932	565524.6671	328856.976	375733.6944	204432.5922	604812.4919	222822.6823	493777.1541	608710.026
D-sedoheptulose-7-phosphate	35707.64052	57544.22807	234779.6644	68290.14547	155350.3235	120085.8583	147866.27	165163.2263	299357.8179	55100.34526	87727.89768	287360.7546
dTTP	68278.71188	107627.4375	120722.1953	222370.8187	228972.882	336514.3859	95011.23095	170166.2549	258677.6022	79382.73841	14652.25747	50818.54187
epinephrine / normetanephrine	1594092.073	1690793.127	2441926.88	1405570.508	1988695.603	1625994.342	2185697.052	1659032.259	1718628.607	2044241.358	1799735.728	1766098.296
F-1,6/2,6-DP	4512104.989	6839291.833	5884536.972	11349124.55	11291035.29	13559321.95	10930429.63	9561531.818	17753922.08	9059915.855	7215127.794	8640882.134
F6P / G1P / G6P	627366.215	550345.0428	936113.2224	615473.9888	942734.871	874750.334	901876.5616	908962.446	1461876.672	845661.7684	797376.4447	1027360.303
fructose / mannose	45748848.9	104727476.4	36057529.97	42317011.38	37553545.92	40954029.24	82799477.34	42263003.67	53529261.1	79709584.11	49925696.94	57943419.49
fumaric acid	682635.5352	199135.7207	691009.8738	388157.3132	301099.7142	473701.9139	374428.7694	198814.6429	219371.7181	317476.3831	74174.37277	118925.8473
galactosamine / glucosamine / mannosamine	25756.517	0	403103.874	0	640.6286166	133007.4535	1248.822393	0	234.6678475	224.8025509	861.934607	87012.90828
galactose / glucose	32630569.42	100328485.2	34625449.38	27210999.01	22284098.59	32908949	86573096.7	43067495.3	49968537.06	67154818.04	55513250.72	66064824.46
GalNAC / GlcNAC	0	214879.9159	264681.9848	0	0	55963.5779	0	26688.13479	103444.8772	0	39789.06675	0
GAP / DHAP	715209.4971	0	602964.4035	629553.596	691967.8989	113339.787	235720.3034	355667.3835	998876.9543	674802.4136	111363.2433	656085.0981
GDP	2385363.651	2836390.298	1971036.604	2302043.556	2160967.93	2648110.833	2365011.206	2121447.929	4824190.319	1211102.701	1787580.389	2041175.736
glutamate	154506468.5	128007906.3	199141172.5	128439440	154545626.2	91153556.08	163931837	163746853.2	197832297.3	141262093.7	135554726.8	160353371.2
glutamine	46970150.89	54443398.3	85970442.44	49641392.52	55876429.75	31572697.59	63379357.43	53748084.73	63607158.65	73590529.26	67592843.23	79420773.71
glutathione	3475959.928	1891699.821	6736579.342	3354743.316	4318888.286	1728844.726	2214022.705	3136163.889	4554785.124	1681099.207	2082539.633	1994721.103
glutathione disulfide	35379180.23	56503151.92	42863653.92	49125609.58	45537508.53	48301796.31	46886590.38	43282725.9	68799815.73	25683284.03	31798332.88	31953570.08
glyceric acid	29419370.32	40416853.19	26607036.02	26673947.87	31419118.46	29725077.32	34665347.54	30391910.28	40005366.71	44329034.16	29446382.91	39964155.69
glycine	8810744.204	9271633.561	16038046.66	10642539.59	6749659.041	4528262.341	8379176.768	8373719.368	8831945.179	8513419.677	7944509.866	7870580.967
glycylglycine	0	0	161266.1183	242431.1115	253326.7182	0	0	337443.1949	204262.4189	0	134159.287	0
glyoxylic acid	1285325.248	4348041.114	1532572.68	1811274.501	1730268.745	1458822.188	2557359.887	2686121.108	2025266.902	4954780.547	1396239.087	2599117.965
GTP	11953706.4	19065241.56	11415502.04	17629593.47	17387756.13	24568077.85	17757161.65	13529818.89	37828711.02	11492734.73	12543943.63	13347861.33
guanidine	6423670.119	1490147.005	14191670.14	1188841.672	22194897.16	4517491.626	6152124.667	1176565.174	3224607.169	11966509.61	16667855.71	9271648.033
guanine	143327.4358	194452.9411	121919.612	2210085.226	193495.5406	110519.5323	173201.2266	296760.6106	155027.979	180038.9636	67421.50817	539466.548
guanosine	360802.959	96450.61595	384302.3668	41397.39052	153251.2372	277113.7233	265837.8779	150998.0239	267378.5219	25274.73563	161418.6774	271067.4905
hexanoylcarnitine+	1370972.589	1075790.787	1239096.075	1140400.638	1266582.395	1225159.484	1442498.408	1096813.135	1311135.491	1221427.627	1000140.241	1039514.538
histidine	15317664.61	18163626.21	18503236.83	15301935.01	16542191.38	19296120.75	19723688.74	18973926.67	26995510.37	18591756.3	19768202.33	21440301.81
homoserine / threonine / allothreonine	44559749.24	47062940.17	65141845.93	41347835.7	47899603.71	40694225.12	64982268.97	55088195.88	66658332.65	66883739.45	57267855.07	62393829.14
hydroxyphenyllactic acid / HVA	864707.2919	997210.2465	1024200.826	1036158.137	1051501.997	963157.8543	1164798.096	1037612.835	1174995.486	1362151.159	975359.3431	1059292.929
hypoxanthine	6064156.594	14680434.79	6861606.376	14056849.72	9269543.004	10761148.9	11298488.96	6923980.516	9124195.272	14113452.26	10610591.24	21005150.03
inosine	57538.8002	45867.10298	37921.99905	39012.09718	0	53435.9968	94361.43332	52715.67931	145675.0297	48138.24817	83199.91592	366481.3795
kynurenic acid	13222.70166	79498.16562	0	1547606.509	18504.70672	21040.59431	57073.63747	15225.6866	0	27101.70017	15207.7408	56433.21504
kynurenine	286448.0519	797012.6786	451777.3656	548357.2457	394821.2339	749746.7564	587963.9507	434168.6743	695512.9343	692242.8468	455359.4031	582529.4637
lactic acid	14557876653	15071207150	5197283669	13421070324	14831683160	6322996777	17561971579	13469384097	15351524457	12597091383	15232402054	13520618044
lactose / maltose	0	0	0	0	187143.7086	82723.11826	87602.75284	0	111991.8255	0	0	0
L-arginino-succinate	103064.1935	14135.30252	200724.2191	32343.70823	81356.47311	110648.6967	88331.58001	36188.94915	94525.06903	76314.06154	46050.96344	22793.2217
leucine / leucine(iso) / norleucine	484432711.9	1030281601	783173104.9	505459866	438498099.9	591942974.6	761477758.3	426112441	880109610.8	1060636802	676377898	1173370452
levulinic acid	7323952.922	6848125.04	7286732.731	5373894.925	6749804.678	7332416.144	6113243.901	11542591.52	7507490.353	8964821.602	4919349.021	6080940.936
L-NMMA	1375767.428	4451966.465	1433442.886	1440059.898	1392089.171	3485303.816	2692454.954	1970365.479	3860173.969	2350149.4	2198156.829	4575713.018
L-tyrosine methyl ester	992155.9291	1101737.347	449722.4131	441439.3077	923186.0056	1238682.353	1102481.835	889272.9542	1110678.737	911292.4336	1135833.204	1103240.783
lysine	121668689.3	411688691.6	139648175.5	160192315.7	123218636	249429254	261315874.7	147824911.7	314072538.8	291900892.4	181834120.9	246962073.6
maleic acid	12130615.04	22700999.28	33687678.15	26434224.34	10311590.89	19932569.49	13097407.09	15723973.86	16610627.54	25830653.29	11906391.59	14048883.1
malic acid	9903986.898	7217859.618	9119869.237	8867764.639	9575671.383	4737531.24	6274828.424	7709814.175	8175942.707	7929687.48	5440564.582	9308817.584
ManNAC	305339.702	384513.5646	447580.3381	289408.4503	346040.124	223656.6869	436078.1087	460952.7708	331114.0774	274310.0509	231666.8472	283280.7904
methionine	184172568.3	290068283.5	198647984	180994714	172865409.7	175265640.5	332152079.9	290605125.2	250838103.2	262994201.1	241492542.6	221958294.4
methylglyoxal	3300718.522	3501212.713	4871484.398	3221480.547	5689461.812	3208728.771	2656268.316	3149097.28	2918268.135	2983701.143	2851025.135	2720258.795
methylmalonic acid	28929317.28	33201908.44	19699070.34	31277519.65	44619908.72	23641516.58	44850218.83	35037856.03	53441063.69	56078698.27	17437749.8	53102563
N1/N8-acetylspermidine	280863.8406	1824801.444	8350238.302	1642240.4	6095891.581	4417077.339	3718217.481	5821554.807	5426918.834	3681194.806	11639082.04	11827536.85
N1-acetylspermine	62906.80221	63055.50076	93328.49314	11894.05207	26557.58432	11841.56484	211774.9484	0	27894.40704	0	0	0
N-acetylaspartic acid	758335.2345	619871.2198	1518505.758	924185.8926	1544827.849	679859.2847	970628.195	1563368.369	1656689.722	1017728.096	974498.5646	1302028.612
N-acetyl-b-alanine / N-acetyl-alanine	5397640.311	13246601.21	8632460.81	11190123.25	7819113.757	11474323.88	13727501.86	8423535.54	15891290.25	14634785.99	8603116.921	12507616.83
N-acetyl-DL-serine / O-acetyl-L-serine	8139090.667	11115035	13264950.79	8404179.138	19350813.16	14191085	14073385.51	11460349.34	15319254.64	17311451.15	8993631.33	15615891.7
N-acetylglycine	11950766.76	26102078.76	8199090.207	18528873.72	17750889.53	18960212.27	28705648.42	23202295.84	27481754.01	36940577.99	17674733.97	31786694.1
NADP+	646003.7993	610795.5297	526928.2333	642138.0086	664936.9782	809705.3062	877672.1009	1049577.93	1785941.466	700636.7693	916046.1451	1055172.958
N-formyl-L-methionine	2108738.529	2299392.133	2064981.434	1439633.009	2104399.517	1981842.652	2028192.644	1072645.3	2357637.692	987240.0901	1115081.19	821205.1176
nicotinamide	13092542.65	34427244.36	26019910.16	28095778.71	40500437.9	13159961.98	26059927.25	37144623.91	23978073.82	13119023.68	24405884.08	26104692.04
N-methylaspartic acid	27488947.25	23561738.8	50835227.21	21977031.32	30141917.45	15691956.35	28294881.67	29429126.57	34122573.4	24041812.53	22453404.56	22889959.17
norepinephrine / pyridoxine	240082436.5	517338816.6	335816651.7	538345035.7	198701829.1	464913308.2	467992252.8	325251593.4	429380311.9	518658642.6	423499289.5	523174189
ornithine	11160777.26	19311681.65	7077880.812	8497638.733	7534997.721	12057204.9	21399984.91	9813772.224	18411481.83	10991314.43	9580538.928	14274763.78
orotic acid	610744.0471	906496.6411	2384565.58	71133.19356	225641.7847	0	0	42979.86912	0	0	0	0
palmitic acid	6877717619	5250019908	10817754511	4910599868	7104824320	7774085240	7299135675	9399138651	8617205394	5422443160	5626128983	5361985761
pantothenic acid	43920564.32	57622650.76	148887358.1	60986892.02	86654837.88	56680192.13	70722301.79	51459365.4	57412515.29	65526965.6	43017455.34	46538260.18
phenylalanine	134903990.4	272595931.7	173765152.8	158189761.5	159846344.9	171313495.6	234708965.5	153050939.9	247824362.2	295920762.6	216614046.3	286621340.4
phosphocholine+	1339198413	1715095735	1216396104	1438585041	1474548246	1787477462	1358863053	1336349935	2382653736	862661136.1	953351271.9	973698168.3
phosphocreatine	37702000.79	26627375.77	38356434.43	24943931.17	30306339.11	18760980.91	21715371.41	20047269.16	25304937.92	13384985.72	11341128.99	13739001.66
picolinic acid	807714.3108	3262942.921	951460.7934	1436379.201	808475.1912	1414849.475	1099819.254	1308858.419	1629377.598	1910023.559	2370084.816	1648856.868
proline	144671995.8	152254747.2	527571743.3	84119263.41	226472178.4	177303335.7	190523280.7	175692664.1	191056896.4	39415228.9	123356746.2	121600663.5
propionylcarnitine+	13166544.29	10144617.71	102456747.4	11842947.37	44479778.61	19118637.67	13195316.88	5403414.049	8404228.563	2165837.17	4649212.994	4256673.742
pseudouridine	46485.30252	92002.09288	693917.4471	167620.9573	48164.56996	158538.8542	297246.6829	221777.2241	570701.4869	385290.3842	137636.7782	174103.583
purine	10652.81521	16671.98537	0	11527.10778	4566.762777	12195.65307	22740.89784	8852.910828	0	12506.53673	22585.48035	10365.91466
putrescine	1236618.35	20394538.32	51386491.9	10446704.8	35121129.27	29352891.8	22280851.18	14586568.64	14487595.28	10405402.98	9369465.059	11907680.65
pyridoxal	3609629.257	4482339.328	4855619.067	16577805.81	6116046.6	7157608.175	6275387.571	9742131.416	9024867.196	9738247.92	7395087.054	10249394.39
pyroglutamic acid	48286137.41	190427012.7	99734016.69	194156958.4	110009413.7	151482078.1	298265747.8	249760531.4	374415742	475641429.3	130072653.4	424151546.4
pyrroline hydroxycarboxylic acid	11273184.93	11794713.26	19549183.85	12055942.89	12867547.91	7691841.897	16072986.02	13479630.6	16498576.18	16812253.59	14215178.61	17812027.51
pyruvic acid	35177250.37	32162143.77	26770776.8	38268287.22	32457682.39	45938967.03	28784218.94	30856032.81	36525353.39	21047202.7	25219418.94	39494130.07
S-adenosyl-L-methionine+	7635513.967	10656103.66	7358022.584	8143362.358	9727395.001	12444881.11	13709739.56	17460502.05	28006155.65	14900412.69	18618998.99	19341767.97
serine	15102140.61	17821747.23	20860196.51	14702990.01	17183915.74	14252473.94	23023084.07	21417785.89	24081246.81	23448434.76	21987624.46	25023576.96
sorbitol / galactitol / L-iditol / manitol	31342018.43	103095413.6	22786207.97	74996089.27	94439367.62	70518885.98	89628650.43	63075829.82	67695769.08	190123274.5	76382011.12	73043452.02
spermidine	188979023.1	209277502.4	711074898.3	121615615.6	440423406.5	258447095.1	171357767.5	125547003.2	102894835.4	50171354.09	94390133.37	79363516.65
spermine	14169745.92	16353077.28	29591538.31	13085751.67	25734093.33	19473620.98	22380205.82	18775720.16	18762561.68	13811288.39	21594522.33	18650945.53
succinic acid	2039841.383	6019844.889	2398443.029	3205987.856	1561607.836	5016538.221	5253928.703	3801053.175	2529408.951	5021059.947	3238293.365	3446808.986
sucrose	709696.5189	3230973.542	716193.8687	128475.3952	574711.082	1563697.226	1207327.568	3644220.457	454242.1756	0	4525519.264	1964849.566
taurine	178157191.6	190053736.3	301134792.3	104573230.1	271732604.1	190798039.6	158646535.9	160480172.2	171511069.8	131655512.8	164194025.1	158556358.7
thiamine diphosphate+	64941.44698	73862.33884	58530.36045	65118.01169	81745.85529	174472.8541	100820.8677	84642.79971	274698.6769	53265.41426	78145.32409	108473.1148
thiamine phosphate+	0	0	0	8261.519487	7798.899309	7073.90476	7402.905979	7264.252246	39169.39253	0	13047.3281	28325.25735
thiamine+	14265702.26	10569045.74	313175949.1	5849169.819	170529806.1	105085823.4	22284832.34	17075320.09	23439090.3	6864605.675	32399544.38	89905633.3
thymine	3435816.119	1641425.27	2134860.39	1270793.261	6884739.018	3992345.182	6190916.814	1930199.255	1711229.838	2864473.642	6392118.587	3727024.151
tryptamine	551981.7705	432968.1821	462474.5906	530435.2285	623516.6839	474135.2581	739283.8601	732264.6461	589697.1654	451603.6138	431886.6317	582604.3578
tryptophan	25491281.84	45823603.58	34494420.79	30829052.55	28018599.7	30869744.61	39958392.24	26458916.8	42450274.87	46187700.7	31951936.38	48673081.34
tyramine	88525.36299	121794.5695	186780.4603	105850.8217	262702.6343	407074.8713	119976.1697	233884.1431	210455.9748	191342.0366	142138.186	488768.9593
tyrosine	117441520.9	165584552.9	224721112.5	77489706.24	196452724.1	194024852.7	213527590.5	151440322.7	168727241.3	149841460.5	189911567.8	224454451
UDP	2786844.148	2759338.936	3388351.25	5381673.401	5466080.838	4738237.622	6087885.401	5149051.864	7366012.243	4400650.824	4904971.093	6535983.03
UDP-D-galactose / UDP-D-glucose	135704.6377	88503.32223	265511.1118	188735.0569	390560.3503	262950.2262	613362.4832	391992.3844	1102039.219	605169.3497	193801.1565	533047.382
uracil	3943519.346	7158063.566	4656763.99	4140271.11	3015972.686	4663803.358	6652495.038	4506501.782	5746541.009	6982956.066	4871849.992	7248236.638
urea	21714443.43	26317557.56	24359582.17	27702149.31	34325316.64	33397852.77	41968842.56	30871041.57	31888604.34	33044307.31	29313644.07	34722872.38
uric acid	159641.6302	1076630.776	1057476.957	2500861.438	355347.7817	224995.0946	522143.4177	270839.8645	126031.9508	179148.7257	385229.8146	141377.0206
uridine	270252.2334	272929.8929	121922.7541	130327.8892	76359.96313	297998.1803	233773.6928	91057.02022	324386.3518	148774.1802	163137.3296	198952.2788
UTP	3616056.557	6033419.928	4622264.278	7215219.848	8059332.07	10653817.33	9487189.731	7819586.695	15948107.64	7079697.527	7032058.223	8331751.835
valine / norvaline	170848613.4	380341469.4	197154556.5	137080824.3	199041777.4	209133388.6	332539273.8	227138337.9	319425634	335521043	275977795.5	311519102.9
vitamin B2	97817.69797	153660.0361	143297.2892	140101.4179	123641.0166	137991.2395	186783.553	98200.56658	156575.6466	271021.5101	183583.9409	178454.9396
xanthine	486595.7409	1046091.779	584363.8167	745054.4301	501967.2169	666947.9207	808530.835	436839.3044	692611.5142	921947.4528	608469.2528	800731.0712
xylitol / arabitol / ribito	1853922.123	4414220.286	2724323.569	1578512.435	2366405.304	2468249.955	2455210.84	3236943.379	2747966.539	3214520.702	3250891.05	4340721.507
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
1-methylnicotinamide+	C02918
1-phenylethylamine	C02455
2- / 3-phosphoglycerate	C00631 / C00197
2,3-bisphospho-D-glycerate	C01159-C03339
2-/ 3- hydroxybutanoic acid	C05984 / C01089
2-aminobutyric / 2-/3-aminoisobutyric acid	C02261 / C03665 / C05145
2-HG	C02630
2-ketovaleric acid	C06255
3- / 4-hydroxyphenylacetic acid	C05593 / C00642
3- / 7-methylguanine	C02230 / C02242
3-phospho-serine	C01005
4-hydroxybutyric acid	C00989
4-hydroxyproline / 5-aminolevulinate	C01157 / C00430
5-HIAA	C05635
5-methylcytosine	C02376
5'-methylthioadenosine	C00170
6-phosphogluconic acid	C00345
acetylcarnitine+	C02571
acetylcholine+	C01996
acrylic acid	C00511
adenine	C00147
adenosine	C00212
ADP / dGDP	C00008 / C00361
agmatine	C00179
alanine	C00041
alanine methyl ester	n/a
allantoin	C01551
arginine	C02385 
asparagine	C16438
aspartic acid	C16433
ATP / dGTP	C00002 / C00286
betaine+	C00719
butyric acid / (iso)	C00246 / C02632
butyrylcarnitine+	C02862
cAMP(2',3') / cAMP(3',5')	C02353 / C00575
carnitine+	C00487
carnosine	C00386
CDP	C00112
choline+	C00114
citraconic acid	C02226
citrate / citrate(iso)	C00158 / C00311
citrulline	C00327
creatine	C00300
creatinine	C00791
CTP	C00063
cystathionine	C00542
cystine	C01420
cytidine	C00475
cytosine	C00380
dATP	C00131
dCTP	C00458
deoxyadenosine	C00559
deoxycarnitine+	C01181
deoxycytidine	C00881
deoxyguanosine	C00330
deoxyinosine	C05512
deoxyuridine	C00526
D-galactonic acid / D-gluconic acid	C00880 / C00257
dimethylglycine	C01026
dopamine / octopamine	C03758 / C04227
D-sedoheptulose	C02076
D-sedoheptulose-7-phosphate	C05382
dTTP	C00459
epinephrine / normetanephrine	C00788 / C05589
F-1,6/2,6-DP	C00354 / C00665
F6P / G1P / G6P	C00085 / C00103 / C00092
fructose / mannose	C00095 / C00159
fumaric acid	C00122
galactosamine / glucosamine / mannosamine	C02262 / C00329 / C03570
galactose / glucose	C00124 / C00267
GalNAC / GlcNAC	C01074 / C00140
GAP / DHAP	C00118 / C00111
GDP	C00035
glutamate	C00302
glutamine	C00303
glutathione	C00051
glutathione disulfide	C00127
glyceric acid	C00258
glycine	C00037
glycylglycine	C02037
glyoxylic acid	C00048
GTP	C00044
guanidine	C17349
guanine	C00242
guanosine	C00387
hexanoylcarnitine+	n/a
histidine	C00768
homoserine / threonine / allothreonine	C00263 / C00188 / C05519
hydroxyphenyllactic acid / HVA	C03672 / C05582
hypoxanthine	C00262
inosine	C00294
kynurenic acid	C01717
kynurenine	C01718
lactic acid	C01432
lactose / maltose	C00243 / C00208
L-arginino-succinate	C03406
leucine / leucine(iso) / norleucine	C16439 / C16434 / C01933
levulinic acid	n/a
L-NMMA	C03884
L-tyrosine methyl ester	C03404
lysine	C00047/C00739
maleic acid	C01384
malic acid	C00711
ManNAC	C00645
methionine	C00073
methylglyoxal	C00546
methylmalonic acid	C02170
N1/N8-acetylspermidine	C00612 / C01029
N1-acetylspermine	C02567
N-acetylaspartic acid	C01042
N-acetyl-b-alanine / N-acetyl-alanine	C01073 / n/a
N-acetyl-DL-serine / O-acetyl-L-serine	n/a / C00979
N-acetylglycine	n/a
NADP+	C00006
N-formyl-L-methionine	C03145
nicotinamide	C00153
N-methylaspartic acid	C12269
norepinephrine / pyridoxine	C00547 / C00314
ornithine	C01602
orotic acid	C00295
palmitic acid	C00249
pantothenic acid	C00864
phenylalanine	C02057
phosphocholine+	C00588
phosphocreatine	C02305
picolinic acid	C10164
proline	C16435
propionylcarnitine+	C03017
pseudouridine	C02067
purine	C15587
putrescine	C00134
pyridoxal	C00250
pyroglutamic acid	C01879-C02237
pyrroline hydroxycarboxylic acid	C04281
pyruvic acid	C00022
S-adenosyl-L-methionine+	C00019
serine	C00716
sorbitol / galactitol / L-iditol / manitol	C00794 / C01697 / C01507 / C00392
spermidine	C00315
spermine	C00750
succinic acid	C00042
sucrose	C00089
taurine	C00245
thiamine diphosphate+	C00068
thiamine phosphate+	C01081
thiamine+	C00378
thymine	C00178
tryptamine	C00398
tryptophan	C00806
tyramine	C00483
tyrosine	C01536
UDP	C00015
UDP-D-galactose / UDP-D-glucose	C00052 / C00029
uracil	C00106
urea	C00086
uric acid	C00366
uridine	C00299
UTP	C00075
valine / norvaline	C16436 / C01799
vitamin B2	C00255
xanthine	C00385
xylitol / arabitol / ribito	C00379/ C01904 / C00532 / C00474
METABOLITES_END
#END