metabolite_name	Q005	Q025	Q077	Q160	Q308	Q442	Q504	Q610	Q632	Q897	CCMB_04	CCMB_05	CCMB_15	CCMB_17	CCMB_19	P2721_22	P2721_23	P2721_27	P2721_28	P2721_40	V001	V003	V004	V008	V009	V011	V012	V013	V014	V015	V018	V019	V023	V029	V032	V033	V034	V035	V037	V041	V045	V046	V047	V048	V049	V052	V055	V056	V057	V063	V066	V068	V071	V079	V084	V087	V089	V092	V094	V097	V100	V110	V115	V116	V118	V123	V126	V129	V131	V133	V134	V135	V138	V139	V142	V144	V146	V147	V148	V149	V151	V154	V156	V158	V163	V165	V169	V172	V174	V179	V183	V187	V190	V191	V193	V194	V198	V202	V205	V209	V212	V214	V215	V216	V221	V223	V224	V225	V228	V232	V241	V249	V250	V252
2-Hydroxybutyrate	207.24	113.33	10.44	30.01	34.11	17.11	49.27	22.27	110.15	15.03	11.4	12.5	41.9	19.2	13.3	11.8	16.7	11.9	16.3	21.1	14.7	6.1	26.4	26.7	19.9	21.5	10.6	12.1	22.2	47.8	24.3	11.1	18.3	106.8	23.4	19.5	22.3	37.3	40.7	15	17.7	37.1	12.4	33.1	18.7	18.1	14.7	16	12.1	14.9	26.6	53.6	17	14.2	20.1	24	3.5	43.4	15.1		9.8		23.8	37.7	45.4	18.5	40.7	39.8	20.7	14.4	49.8	27.6	25.9	48.1	27.2	14.2	3.9	10.8	13.2	22.1	17.8	28.3	11.2	22.3	20.9	59.9	55.4	27.1		18.6			57.4	14.2	18.3	5.9	16.1	14.1	33.7	21.4	13	20.1	27.3	18.9	36.5	21.8	35.9	16.1	19.7	15	15.4	37.1	15.1	15.6
3-Hydroxybutyrate	208.89	598.13	17.45	46.73	91.25	28.33	102.3	34.18	268.36	69.25	30.6	16.4	42.3	35.1	28.4	31.8	68.6	12.2	139.7	27.2	25.8	28.9	35.9	38	21.9	35	21	23.5	20.7	305.3	28.1	23.5	27.5	139.8	29.7	32.7	19.3	41.3	55.3	18.3	36.3	106.8	22.2	27.8	32.8	45.9	26.3	13.8	30.3	40.9	27.7	180.1	22.6	22	21.7	43.2	27	27.8	22.6	19.6	166.8	21.8	45.3	54.9	162	62	326	118.1	25.3	9.9	320.9	32	42.6	86.6	157.2	12	11.6	10.5	119.2	28.1	59.3	102.9	30.6	32.7	228.2	83.3	354.9	33.2	7.1	41	16.4	21.3	42.2	42.8	19.1	29.2	48	24.9	31.9	27.4	64.6	51.9	174.7	146.6	21.6	48.7	125.4	131.1	221.9	22.7	20.8	118.5	24	14.3
Acetate	87.39	223.47	32.11	39.94	102.23	26.96	20.4	25.19	170.26	12.9	33.5	35.5	64.4	58	41.1	26.8	24.9	27.6	28.4	29.6	23.3	27.6	54.5	70.9	134.5	265.1	198	29.1	29.6	59.2	49.8	52	16.2	249.4	36.7	44.3	42.5	53.8	49	108.9	33.5	71	48.8	65.1	79.9	27.1	137.5	53.1	43.4	70.6	57.9	87.4	26	37.6	13.3	50	89.3	35.5	51.5	42.9	15.1	20.5	16.4	28.2	57	56.9	80.5	47.2	142.2	48.8	42.6	68.1	49.4	92.4	55.5	44.3	51	95.6	55.1	64.8	40	44.9	49.2	38.7	54.5	50.2	45.5	65.1	25.9	54.5	27.7	41.4	42.1	80.7	46.2	34.7	29.9	43.4	23.9	44.3	42.1	102.5	117.7	69.4	28.6	34.2	29.9	171	27.5	34.1	13.5	208.3	160.1	16.8
Acetoacetate	35.89	82.27	2.64		12.59		7.19	3.45	50.52	10.1	5.7	4.9	13.8	8.7	9.9	6.9	5.6	7	0.6	2.7	4.4	5.4	5.7	8.6	3.7	20.4	3.1	4.2	5.1	26.8	5.9	4.3	11	46.8	4	8	10.8	7.7	39.1	3.6	10.3	20.7	5.7	3.8	7.9	2.6	2.2	7.5	5.4	7.7	11.7	26.4	6.2	5.7	9.8	4.7	3.9	5.1	8.3		44.8	5	13.9	10.5	65	12.1	33.6	48	3.2	2.9	67	10.5	2.3	2.9	5.4	5.7	2.4	4.6	7.6	3.4	7.3	6.6	8.8	10.9	22.2	29.7	85.3	13	8.9	4	4.8		15.2	10.2	12.6	7.4	10.4	17.6	16.7	10.1	20.2	8.8	44.2	56.1	4.4	12.9	52.3	31.8	37.6	3.8	4.6	17.7	11.1	9.8
Alanine	1208.18	863.47	276.23	157	448.48	297.49	378.08	222.22	626.95	196.81	168.7	224.5	359.2	253.9	157.6	181.4	163.1	188.2	193.5	216.3	272.1	326	353.5	290.9	250.3	230.4	321.4	192.5	322.6	244.1	209	284.4	119.5	696.4	228.9	363	340	247.9	209.8	275	214.4	270.7	269.8	224.4	160.4	368.9	321.7	302.2	387.1	237.4	207.5	419	252.1	263.1	216.1	214.9	161.8	489.5	271.1	288.5	169.9	197.5	255.6	268.6	207.8	189.5	213.8	246.3	270	189	359	284.5	224.3	414	187.8	299.3	199.1	151.7	268.8	232.3	182	243.4	254.5	209	207	201	142.1	266.2	234.2	194.8	302.7	338.5	330.3	192.3	285.3	208.7	103.8	301.5	227.5	102.2	168.6	279.2	208.8	173.2	307.6	225.5	231.9	153.2	191.6	346.5	205	309.5	369.2	288.9
Arginine	395.07	357.07	47.97	46.25	172.95	79.92	87.27	53.01	373.71	57.98	74.3	88.2	226.7	166.2	179	78	80.8	88	59.2	62	56.4	52.9	116.3	132.5	90.3	107.8	89.9	71.5	100.4	60.9	64.8	54.4	69.6	372	70.1	92.4	137	78.9	112.8	69.1	56.1	110.9	107.9	104.6	92.1	54.2	126.4	88	99.8	153.8	62.7	256.9	110.4	119.9	88.2	122.8	59.3	68.4	103.9	73.3	46.3	44	80.2	157.1	160.4	84.2	131.7	258.3	99.2	37.4	157.8	43	71.9	110.2	179.9	41	56.7	38.9	86.7	113.1	111.4	70.9	113.9	132.8	153.8	143.9	182.6	155.8	81.8	65.5	73.5	169.2	121.2	94.1	153.3	93.1	82.5	194.4	172.7	63.5	65	99.5	98.3	104.4	96.9	107.3	155.9	64.2	58.6	58.3	110.4	80.1	66.3	49.7
Betaine	96.77	86.67	20.88	22.52	68.39	14.64	20.18	20.08	137.31	22.02	13.6	24.7	31.7	21.9	19.1	20.8	19.9	15	24.1	19.7	27.2	24.1	23.8	34.6	34.2	43.9	27.4	11.8	26.9	44.9	23.7	20.3	12.4	15.6	14.4	40.1	17.2	16.2	15	11.9	20	13.3	12.4	10.8	31.3	7.6	12	17	27.2	18.9	35.9	40.9	12	22	16.1	25.1	14	23.7	19.4	15.7	15.6	11.4	18.4	18.2	9.6	24.6	16.8	27.5	27.3	37.6	21.7	26	21.7	22.8	12.4	30.7	15.7	5.1	15.1	18.6	12.7	20.6	8.9	23.2	26.3	18.1	25.4	18.2	13.8	17.1	7	32.3	17.3	11.3	18.2	13.2	17.4	13.6	12.2	11	17.5	48.4	30	27.1	27.1	27.5	44.5	14.7	24.4	18.4	18.7	17.6	39	11
Carnitine	56.69	84.53	16.42	23.99	49.46	21.62	14.17	12.05	133.5	17.09	13.2	19.4	26.3	24.3	13.8	20.2	10.6	12.4	11.2	16.4	26.5	23.5	29.9	38	16.4	26.9	33.7	11.4	28	24.5	19.8	16.3	20.7	20.3	15.1	25.3	21.6	15	16.9	27.6	16.8	20.1	20.2	27.9	26.7	15.7	32.5	23.7	19.4	30.6	22.2	37.6	22.3	24.4	43.1	17.4	19.5	28.1	24.6	26.5	10	14.7	9.3	30.9	16.3	18.8	18.1	32.8	28.7	14.7	31.6	44.2	25.2	21	22.6	27.4	18.8	6.5	18.3	13	22.7	17.6	16.1	29.7	29.2	24.6	31.1	23.3	14.2	25.3	8.9	35	24.4	26.7	12.6	18.3	11.2	17.1	27	23	22.8	17.3	27.5	17.4	30.9	32.1	34.7	13.7	20.8	22.8	14.8	18.1	25.2	31.2
Choline	31.58	28.13	4.95	3.72	17.41	4.65	6.23	6.57	22.62	5.14	4.3	4	9	7.3	6	3.9	3.7	3.8	5.2	4.2	9.5	7.4	4.8	8	10.9	7.9	6.5	3.3	11.9	7.4	4.9	8.7	3.4	14	4.4	4	6.7	3.6	4.4	6.4	5	12.4	7.5	4.8	5.9	2.4	6.1	10.1	9.3	5.4	7	8.4	4.5	7.9	9.3	11	3.4	8.7	6.7	6.8	5.2	3.9	6.5	6.5	7.3	4.2	8.3	7.1	9	7	10.3	7.9	7.1	7.6	6.5	7.3	5.7	3.8	14.1	4.8	9.5	5.7	5.1	8.2	8.5	5.9	9.9	10.7	6.6	5.3	3.6	7.7	8.5	5.5	3.9	5.1	4.7	7.9	6.1	3.8	5.7	7.9	5.8	7.4	6	6.9	7.4	3.5	3.6	6.5	8	6.9	8.5	7
Citrate	291.58	320.53	42.09	32.17	115.09	52.41	95.97	32.93	76.71	45.73	33.5	33.6	34.7	27.9	55.7	46.8	35.5	27.5	59.8	49.1	60	69.1	29.5	44.5	49.6	44.8	50.8	23.6	45	35.6	41.4	63	30.6	2.9	29.5	72.6	52.5	34	47.3	48.6	46.6	48.6	39.9	33.3	21.6	44.6	52.2	26.3	54.3	45.1	75.4	97.1	50.4	36.4	42.6	41.9	28.8	65.3	35	38.1	32	45.1	55.2	41.7	44.5	45.2	52.9	65.9	55.6	28.7	50.4	32.3	34.2	65	53.1	83.7	17.1	31	52.6	70.7	75.8	44.7	46	48.7	71.4	47	64.5	75.1	26.9	52.8	51.5	74.4	75.3	32.3	28.5	31.1	24.7	47.9	45.7	36.2	37.6	70.4	28.2	47.7	50	70.6	51.2	62.5	77.1	42.8	51.1	59	52.2	74.4
Creatine	79.14	95.47	22.62	17.77	26.34	15.05	14.6	26.43	118.38	18.6	9.6	9.9	26.5	14.8	10.1	15.6	15	24	35.4	24.1	12.4	10.7	17.3	30.8	5.4	17.1	16.9	11	27.3	10.6	17.9	12.8	16.1	49	7.3	11.1	24.1	7.1	30.4	28.3	8.1	25.8	10.1	18.3	14.5	13.7	30.6	16	11.6	14.2	21.2	39.8	24.9	15.3	16.7	13.1	7.2	25.2	26.8	8.4	11.2	11.6	12.8	19.7	18.5	10.1	28.5	28.3	11.9	10	27.5	10.5	12.4	14.5	12.4	25.6	12.5	5.8	65.3	14.5	37.5	6.9	17.8	16.4	16.3	22.7	17.5	15.2	8	19.3	19	22.7	18.9	25.7	14.5	12.3	10.5	17	22.7	12	15.3	14.6	22.4	19.7	17.9	14	23.3	6.3	8.9	18.1	11.4	34.1	26.4	60.6
Creatine-phosphate	55.04	40.53	7.62	9.41	24.02	6.43	10.84	3.71	30.49	9.4	9.4	11.5	28.8	13.8	14.2	11	12.3	6.7	9.5	8	13.4	8.5	15	17.8	13.6	22.6	25.5	5.6	10.6	9.4	16.5	12.3	7	43.4	11.7	18.4	24.9	11.6	13.5	11.4	18.9	25.8	18.2	12.9	10.6	6.2	17.4	24.7	18.1	19.5	7.8	21.7	14.5	21.7	4.6	22.7	4.5	17.7	17.2	6	9.4	14.6	6	20.6	8.6	17.7	21.3	30	14.3	13.5	22.3	26	11.1	19.7	13.3	8.5	11.6	7.1	13.4	13.8	14.8	15.6	15.4	17.2	21.8	16.3	19.1	8.8	14	13.1	7	27.4	11.7	12.3	19.7	15.5	14.3	25.7	20.1	11.7	10.8	19.4	15	12.4	10	15.7	13.3	16.4	10.1	8.2	19.4	16.9	11.9	7.1
Creatinine	184.79	184.13	18.23	37.35	117.68	38.45	53.14	23.72	163.62	20.83	33.9	37.9	51	34.5	24.7	36.1	23.5	29.9	25.4	25.6	47.8	33.8	32.3	53.2	32.5	59	41.7	13.7	20.9	25.2	7.5	27.2	20.2	36	25.5	62.2	51.9	23.1	45.2	29.2	14.4	26	86.1	33.2	31.8	4.2	48.8	51.5	44.8	36.4	41.6	45.7	31	38.2	35.9	33.9	26.1	26.6	45.3	23.8	19.7	13.7	45.5	26.1	33.7	19.3	19.8	62.6	48.6	29.2	51.4	32.8	39.4	40.3	37.5	23.5	19.9	18.5	29.4	36.3	47.5	44.8	36.9	43.4	36.9	36.7	43	30.1	45	41	25.3	26	49.6	35	37.4	33.1	30.1	45.9	40.4	32.1	16.1	38.8	30	34	39.6	49	33.1	32	36.6	34.6	32	34	21	20.1
Dimethyl-sulfone	13.57	22.27	1.85	2.46	6.61	2.33	2.25	1.09	17.33		4.1	3	7.7	3.2	3.2	4.3	2	2.7	2.2	3.3	4.3	3.3	2.8	3.1	4.7	3	12	1.4	3.3	2.6	2.3	7.5	2.5		2.6	5.2	2.2	3.1	3.5	2.6			6.9	3.9	180.5	1.4	6.2		5.8	4.7	1.8	4.3	3.9	4.1	3.3	3.6	2.6	5.1	3.5	3.5	2.8	4	4.1	5	2.4	2.7	6		2.7		4	4.6	2.6	3.5	5		1.4	1	3.3	2.8	2.8		1.6	5.6	4.4	5.1	3.7	3.6	2.5	2.9	1.8		5.3	3.2	4.5	1.8	3	7.3		4.4	1.4	3.8	3.2	1.7	1.1	3.7	1.1	3.6	1.5	3.7	4.8	1.8	2.8	2.6
Dimethylamine	14.71	10.27		7.02	13.48				13.52	1.36		4.5	8.3		6.9	2.2	5.6	3.7	2.1	3.4	1.2	8.2	4.3		3.8	6.7	6		1.4	5.3	4.7		3.3			2.6	0.8			6.1	2.1	6	2.5		3.2	1.2			4.6						2.1		1.4	2.6		9.2	3.2	1.2	2.3	2.7			5.6	8.5	9.4			2			6.9	1.9			2.5	6.5		1.6				2.8			3.4		2.1			3.5	3.1			3.7		1.5	2.2	8.2		2.4			8.8		3.9	3.2	2.1	1.1	1.9	
Glucose	11373.8	11134.67	2158.56	2138.68	6111.96	2917.34	3046.79	2639.82	11567.6	2191.39	1749.4	2225.6	3460.8	2722.3	1837.3	1747.6	2013.4	2009.2	2323.3	2353.3	2877	2986.8	3414.1	3536.9	2692.2	2945.5	3353.1	2071.7	3638	3023.6	2832.5	2733.6	1737.6	4356.9	2316.2	3377.3	4108.2	3005.2	2204.2	3220.2	2234.9	2713.4	3046.4	2728.1	2306.4	3943.3	3624.5	2085.7	3134.5	2256.1	6489.7	3927.4	2736.9	2323.3	2195.1	2615.4	1655.6	3885.9	2231.4	2524.7	1849.7	1998.7	2655.3	2947.8	2245.9	2924.9	3323.6	3010.6	2823.2	1664.2	3171.6	2571.7	2191.5	3217.8	2919	3796.9	2071.6	1437.5	3275.8	2978.2	2516.9	2478.7	3117.7	2831.6	3061.9	2578.1	2257.9	2246.3	2594	2576.8	2392.1	4182.1	3079.3	2711.5	2328.3	2282.8	1764.7	2439.3	3146.7	2028.2	2446.4	2809.5	3196.6	2617.5	2654.1	2835.8	2855.7	1769.4	2246.1	3838.3	4543	3044.1	4138.5	2278.6
Glutamate	304.77	257.47	53.26	30.78	218.84	53.51	46.59	64.63	219.68	18.98	39.8	45.2	143.5	65.3	32.8	41.9	33.5	39.3	34.3	34.6	33.7	109.4	44.5	82	36.8	70.1	80	23.5	67.5	40.6	48.7	30.7	28.3	189.1	47.2	126.2	74	53.5	43.7	36.5	36.6	70.7	57.9	46.5	51.7	56.5	44.2	65.1	107.2	40.5	70.2	43	46.5	61.6	83.4	99.6	23.4	72.3	58.9	35.3	54.1	29.8	44.9	107.9	63.8	68.4	74.6	122.1	244.8	78.7	91.8	77.7	224.5	133.1	103.6	261	182.2	50.7	140.1	173.7	127.4	115.8	100.2	45	49.8	37.6	67.4	52.2	55.9	34.6	54.9	42.8	58.4	36.5	73.6	40	37.8	105.3	98	40.2	51.8	36.3	62.8	53.6	86.4	46.2	45.3	22.9	20.5	59.1	83.5	17.4	84.3	59.5
Glutamine	1173.17	1550.27	326.73	261.48	855.18	294.07	403.42	341	1413.34	305.45	223.1	345.4	304	326.3	316.6	289.6	304.9	272.4	268.5	326	412.4	421.4	365.4	329.9	409.5	394.9	467.4	188.3	388	269.7	225.7	418.8	198.6	388.5	203.6	462.5	397.7	221.3	425.1	369.7	284.1	397.9	368.4	272.7	322.7	189.9	489.2	366.6	380.4	363.2	273.5	553	389.2	343.6	282.1	277.4	209.9	449.5	251.8	341.2	209.7	285.5	391.1	373.6	235.3	400.9	317.7	423.8	189.3	231.5	356.2	367.4	90.6	177.7	206.2	125.3	47	94.1	220.5	168.3	162.5	201.3	254.6	364.8	390.7	424.6	226.3	431.1	419	325.3	245.4	329.2	346	409	342.2	318.4	232.7	294.6	347.3	178.6	241.6	404.2	357.7	332.5	318	399.2	406.7	247.9	314.1	447.4	312.3	309.3	296.7	294.8
Glycerol	504.02	418.53	49.46	53.36	118.84	47.76	157.59	99.96	381.7	97.67	105	59.6	432.1	134.1	75.8	67.5	68.4	41.6	66.4	40.2	68.7	44.2	40	46.1	49.5	66.7	43.8	35.1	464.5	89.9	27.4	98.9	69.8	182.1	68.1	62	49.1	78.3	155.3	60.6	46.6	162.3	39.3	70.3	78.2	17.8	151.3	93.4	76.7	200.7	428.3	175.9	65.1	42.9	102	49.8	17.9	381.4	48.8	39.2	105	64.7	108	71	580	80.4	168	98.7	85.7	345.8	100.7	69.5	136.4	117.7	101.5	94.3	58.6	40.9	100.4	64.3	139.4	100.4	137	45.8	126.3	126.1	79.9	99.1	94.6	47.1	31	107.7	1092.1	64.2	236	70.1	41.1	112.1	93.5	266.7	68.5	81.8	135.7	94	59.2	52.7	50	44.7	79	707.7	74.5	91.1	51.2	69
Glycine	347.77	800.53	113	82.89	267.95	123.98	138.48	143.37	423.74	133.9	101.9	168.1	109.4	123.8	124.4	145	158	115.2	150.8	130.3	160	161.9	222.4	225.7	223.8	262.8	249.2	87.9	137.7	153.4	155.1	228.4	84	260.4	101.3	148.1	187.7	153.7	247.2	271.9	109	262.7	182.8	93.7	129.9	103.5	302.4	154.6	201.4	199.7	67.6	268.3	155.2	187.3	176.6	157.1	140.1	297.3	172.1	202.9	71.5	203.7	112.1	101.6	62.7	183.6	158.6	166.2	157.6	63.5	182.4	142.6	112	253	202.4	155.7	102.5	101.4	559.9	164.5	108.9	112.6	87.3	147	193.2	154.1	131.8	152.5	118.6	166.3	77.4	108.3	130.9	121.9	157.7	170.2	90	169.4	102	78.5	149.3	212.9	195	142.3	194.5	221.9	128.1	161.1	142.1	204	95.2	215.1	143.2	234
Histidine	97.66	130.53	39.01	29.08	82.95	26.41	51.42	25.8	109.9	37.23	23.8	32.1	30	49.3	30.7	23.4	29.9	20.4	35.2	31.9	40	29.4	12.9	39.7	46.1	19	43.1	22.9		32.4	22.9	35.5	17.1		15.2	32.3	44.2	20.4	32.2	34	21.7	51.2	29.7		22.6	33.2	31.9	23.5	31.6	36.9		53.2	36.9	26.2	20.7	46.4	31.4	21.9	34.1	17		24	18.3	13.6	21.2		18.1		48.4	30.4	43.2	31.8	20.2	14.2		20.6	20.6	10	31.6	22.6	17.3	19.1	32	32.3	14.3	24.6	9.4	24	23.6	36	20.7	34.9	19	13.5	21.5	25.2	16.7	20.7		12.9	15.2	25.1	6.8	26	36.8	24	23.5	19.1	38.3	27.7	21.1	35.5	26.4	35.3
Isoleucine	186.57	149.07	36.64	40.23	104.46	38.45	47.13	31.08	170.38	30.84	23.6	34.1	56.5	31.3	29.2	27.3	20.3	25.6	25.1	19.9	39.3	47.8	42.4	79.3	42	35.9	62.6	31.4	44.5	41.7	36	27.3	23.3	92.7	32.9	42.2	53.5	35.5	24.3	26.2	32	30.7	44.2	22.3	30.8	36.8	47.9	34.1	43.3	39.7	34.2	50.5	29	51.4	50.6	54.7	27.5	46.6	29.9	41.4	45.5	23.6	49	49.6	34.7	32.4	31.8	62.7	56.1	22.7	52.4	51.4	36.1	58.4	47.2	42.3	17	22.2	36.1	46.7	39.5	27.8	48.3	35.3	51.5	51.2	52.5	60.3	29.5	39.6	33	45.4	41	30.5	37	34.4	26.1	33.4	46.5	33	24.8	36.7	31.8	29.3	48.4	42.1	36.9	27	30.4	43.9	38.6	35.4	59.6	19.6
Lactate	5843.28	2616.53	1050.18	536.27	3269.38	1344.88	1049.02	627.53	2002.06	705.79	1001.5	705.9	1430.9	1348.8	808	449	429.2	580.1	959.9	969.2	769.7	3587.8	1930.5	2575	897.5	672.7	3246	592.3	1350.5	1184.1	995.7	892.8	563.8	2849.4	1176.9	1197.7	1364.6	1198.5	835.9	734.6	793.8	1178.9	529.9	1055.8	782.7	3526.1	963.7	1216	873.8	1690	853.7	1098	1688.3	1999.5	1103.5	966.1	722.9	1560.3	1257.4	1780.4	723.4	364.8	1145.8	711.8	1222.3	1275	903.2	971.5	908.8	815.4	3252.6	798.7	737	1605.9	674.8	881.3	769.6	570.5	1046.9	667.1	719.6	952.3	3423.7	649	1131.9	1238	722.6	1048.3	624.8	675.5	887.3	962.2	1074.3	622.9	673.4	727.1	495.3	738	726.2	411.3	672.7	954.9	1128	667.8	850.3	1697.5	847.7	753.7	813.1	1921.2	645.9	894.9	957.2	1079.2
Leucine	296.27	253.07	60.03	50.69	166.79	68.15	79.33	58.63	316.06	59.39	32.8	63.4	90.6	54.9	59.9	47.7	43.6	47.4	41.3	38.5	84	75.8	56.9	103.4	77.6	63.3	101.9	50.4	78.9	67.3	60.8	42.9	38.9	144.9	53.6	83.4	104.2	53.6	43.7	43.5	51.1	52.5	61	49.3	48.2	58.4	93.2	56.7	73.1	67.9	48.7	103.9	45.5	83.3	76.6	85.6	50.7	83.3	66.1	50.6	57.1	32.6	67	95.6	57.5	37.4	44.3	85.2	80.4	22.9	98.2	70.6	51.6	68.8	67.4	58.5	42.1	29.9	47	60.5	60.9	61.7	70.5	58.2	50.9	73.8	76.8	78.3	47.8	63.4	46.1	79.9	73.5	50.3	63.9	42.1	40.8	62.1	78.4	47.2	42.7	70.4	44.4	54.6	101.9	82	67.1	50.5	47.4	76	73.5	64.7	93.9	56.2
Lysine	488.93	365.87	103.25	97.93	253.04	86.89	128.82	93.84	427.06	90.63	87.5	113	130.6	92.2	92.7	70.4	73.5	60.6	73.6	82	104.1	110.7	102.1	110	95.6	80	126.6	54.5	116.1	94.9	77.1	84.6	70.7	258	73.3	124.2	121.7	86.9	90.7	124.7	69.2	78.8	102.5	71.5	82.5	78.1	123.2	114.6	138.2	87.5	79.7	123.6	71.9	93.4	115	104.1	54.2	103.8	103.2	69.9	58.9	80.7	87.5	125.2	90.4	82.4	83.2	122.4	114.1	42.3	133.2	108.7	72.7	106.4	79.1	121.3	29.3	45	89.8	108.4	75.4	69.1	82.1	88	96.9	87.4	81	102.4	68.3	91.7	94.8	106.6	111.3	97.7	98.8	84.6	40.4	98.5	122.5	58.1	78.2	93.3	73.8	90.5	147.5	99.1	121.6	77.7	68.1	74.9	86.8	78.4	137.2	93.2
Methionine	88.65	85.33	13.45	13.74	42.5	19.29	20.61	10.51	82.36	15.29	14.1	19.3	33.2	20.2	14.1	22.9	15.1	14.9	15.9	16.7	13.9	16.8	24.5	28	21	22	29.3	14.3	17.5	17.8	14.4	18.5	10.7	46.2	15.5	22.2	27.7	16.3	21.8	18.1	19.7	22.4	20.2	16.3	12.1	13.1	21.7	19.6	22.1	31.8	19.2	24.6	16.6	36.1	27.1	24.1	12.1	19	17.9	23	13.3	10.2	12.4	17.8	17	18.3	13.3	27.6	14.6	9.6	31.2	12.1	17.3	21.7	13.6	19.3	14.2	13.1	13	18.6	14.4	18.7	22.8	20.4	24.4	19.3	26.4	15.1	22.5	28	15.4		25.8	14	26.9	17.6	20.3	32.1	18.9	13.1	12.8	19.5	11.4	17.1	21.7	24.7	21.3	16	10.2	20.9	18.8	16	24.5	20.2
O-Acetylcarnitine	15.73	33.07	3.55	4.39	9.29	4.65	5.05	3.03	26.43	5.66	3	6.4	6.6	3.7	2.7	4.4	4.8	2.5	4.9	4.8	4.6	3.5	3.8	6.2	1.8	5.5	6.3	2.2	4.2	5.7	1.8	1.8	3	9.9	2.2	6.4	4.8	2.3	8.7	3.4	2.1	7.5	6.8	4.6	4.4	2.6	6.3	1.9	4.5	5.8	4.3	9.3	3.9	3.2	8.7	2	3.7	3.6	4.4	4.5	4.8	4.1	3.3	6	6	4.3	8.9	7.7	5.5	2.4	11.1	7	5.8	3.3	4	2	2.1	3.3	4.1	2.8	6.4	5.3	3.8	4.7	7.5	6.4	10.5	5.3	4.2	5	2.7	5	6.5	6.8	4.8	3.6	5.8	2	4.8	4.4	6.5	5.2	7.1	5.6	3.2	6.5	9.2	5.3	5.4	3.3	3.9	6.2	2.5	3.1
O-Acetylcholine	13.82	14.8	1.05	1.58	6.61	2.05	1.72	1.09	13.4	1.13	1.7	3	5.9	3.2	2.6	4.5	4.1	2	3.4	2.5	2.5	3.3	4.8	2.6	1.8	2	2.5	2.3	4.2	3.8	1.3	2.5	2.4	6.2	2.3	2.3	2.8	2.4	2.1	4.7	4.6	4.4	3.2	4.3	3	1	4	3.6	2.4	2.9	2.5	2.7	3.8	5.7	7.1	7.3	1.7	2.9	2.8	2.8	3.3	1.8	4.9	7.8	3.1	2.5	5	3.7	3.9	2.6	6.9	0.9	2.3	3.8	4.9	3	1.2	3.3	2.1	3	6.8	3.9	4.9	5	3.4	4.7	8.9	3.7	3	2.4	6	5.9	5.3	3	4.2	5.3	3.8	7.1	6.2	3.4	1.8	1.8	4.3	3.6	2.2	4.2	2.2	1.7	1.1	5.6	6.5	2.2	5	3.5
Ornithine	181.62	156.13	46.06	29.66	123.3	44.34	43.26	34.11	134.73	29.13	23.2	37.9	49.7	39.4	31.4	20.7	22.3	21.6	21	27.9	35.3	55.4	39.8	63.7	50.3	49.9	61.2	32.8	50.9	39.9	18.9	50.6	32.5	75.1	34.3	44.1	40.5	39.6	34.6	47.2	23.5	72.9	51.8	31.4	24.9	34.4	54.1	47.9	51.5	43.8	19.7	57.1	33.3	42.9	41.9	31.5	29.4	31.3	35.1	44.6	28.2	32	47	57.7	14	26.7	58.9	52.3	57.5	15.3	62	40.1	28	38.7	63	21.7	17.8	17.3	64.1	36.9	31.7	32.9	35.9	41	62.8	26.7	39.8	61.7	32	38.5	15.9		64.9	41.4	32	31.5	26.2	54.6	31.9	27.5	42.4	54.7	42	40	46.1	33.7	40.8	24	23.5	46.8	42	30.4	60.9	27.6
Phenylalanine	261.78	192.93	26.71	30.64	113.39	44.06	53.89	23.79	176.41	35.34	34.6	47.7	48	56.3	35.1	36.9	39.2	31.7	28.9	35.4	60.1	35.8	49.1	64.9	57.2	37.5	54.3	22.5	58.5	30.1	41.5	41.4	26.8	66.9	41.1	39	78.3	32	27.7	50.5	20.4	48.7	39.6	40.9	22.2	34.2	34.7	39.8	60.6	47.9	29	74.8	39.6	49.4	45.6	55.7	20	46.6	49.1	46.8	30.7	25.1	38.9	40.4	29.4	19.3	33.6	53.7	49.8	17.8	58.8	27.4	25	42.8	37.7	41.7	18.1	29.2	26.8	45.2	37	22.7	67.6	42.7	49.4	34.1	53.8	50.4	40.1	59	42.4	40.3	50.9	34.7	29.8	28.2	26.7	62.6	31.9	7.6	28.1	40.4	14.3	36.6	72.7	46.8	29.1	30.8	26	52.7	40.9	51.7	48.6	41.4
Proline	465.21	384.93	124.03	80.71	252.77	131.92	145.03	96.19	353.92	80.27	59	98.1	144.3	99.6	114.4	98.1	61	61.5	74	63.8	132.4	159.2	160.2	188.2	104.2	150.9	92	66.7	88.3	92.4	103.6	92.9	67.6	579.9	74.3	184.2	140.2	87.3	96.7	49.8	108.7	101.2	149.3	68.4	141.4	103.9	103.6	97.4	115.3	139.6	103	126.1	94.2	117	224.1	95.8	59.2	188.9	126.8	98.7	93	66.4	114.4	121.4	87	113.5	103.4	160	126	88.9	101.4	104.5	72.9	127.7	137.1	133.9	87.8	51.6	75.8	233	107.5	82.3	118.2	99.2	103	116.3	65.7	101	109.8	103.2	92	144.3	129.7	85.5	95.6	101.4	92.5	123.6	130.5	41.4	58.8	100.1	119	96.6	101.7	76.3	67.7	60.2	69.9	192.1	97.1	116.1	146	123.1
Pyroglutamate	93.09	175.07	17.86	24.22	38.57	19.43	20.5	18.04	115.43	16.88	32.4	35.7	62.9	35.8	33	23.1	22.3	21.7	21.4	26.6	14.7	10	43.5	65.9	20.4	40.8	16.6	18.5	27.3	26.5	49.5	26.8	19.1	138.2	33.1	16	13.7	33.8	29.1	28.7	33.8	52.9	42.7	25.7	40.2	25	30.4	30.8	41.2	41.5	52	35.5	39.2	33.2	24.9	29.4	15.3	19.4	21.2	12.4	31.8	15.8	24.2	48.3	62	52.3	84.5	54.3	25.3	34.9	22.6	20.4	17.9	33.4	49.9	16.1	20.1	12.1	46.1	35.3	33.1	42.9	38.4	52	47.8	39.6	27.4	43.8	5.9	18.6	14.2	88	54.5	23.5	27.4	26.9	16.2	42.5	38.5	33.4	20	23.1	45	18.5	20.9	13.2	30.6	8.9	28.4	21.6	19.2	24.6	10.3	19.3
Serine	212.95	320.67	63.34	47.26	141.43	58.84	90.28	68.41	266.52	73.26	41.4	63.5	112.2	82.9	48.8	57.9	50.7	52.9	69.7	44.7	54.5	66.8	72.9	74.9	52.1	78.5	53.5	24.5	75	71.7	47.5	39.7	46	136.7	48.5	87.6	51.3	49.8	84.4	81.6	43.7	91	55.6	60.4	66	59.7	95.3	62.2	85.2	70.4	76.3	111.2	61.1	72	68.9	73.8	53.8	74.7	80.6	69.7	50.2	47.4	60.6	88.8	40.3	86.5	93.9	90.4	67.2	48.7	96.2	59.3	46.7	87.1	124.8	43.4	42.2	45.7	68.5	52.8	69.6	62.4	68.1	59.5	69.1	83.3	68.5	130.2	54.4	48.7	40	67.5	62.2	48.4	64.8	47.1	62.7	106.4	54.4	52.8	56	61	58.2	86.7	77.4	77.7	67.8	52.1	42.7	49.9	65	48.9	88	67.6
Taurine	338.76	314.8	56.17	67.21	157.05	108.93	85.45	40.96	335.23	39.76	49.3	50.1	94.6	79.1	61	56.5	43.7	58.7	28	69.8	82.3	86.4	55	33.5	29.1	126.7	95.7	21.6	84.5	41	36.8	45.9	37	170.7	24	55.7	85.9	61.7	53.8	50.4	56.9	92.2	63.6	37	52.1	11.9	52.2	120.7	77	73.4	48	50.2	70.9	111.2	40.8	63.9	50.8	119.9	62.8	68.4	39.4	33.6	39.3	98.6	55.5	42.5	101.9	119.1	116.2	38.5	116.4	70.8	50.6	90.6	62.2	44.3	43.7	35.7	47.4	61.1	58	52	47.7	79.2	59.8	104.4	88.7	62.7	58.8	65.5	24.3	53	86.2	93.7	48.2	54.3	51	84.3	66	54.1	55.5	64.2	79.1	72	59.8	63.6	108.4	54.7	48.8	56.1	20.6	42.3	42.8	47.9
Threonine	195.82	301.87	78.7	51.81	138.13	51.45	98.01	68.15	277.46	50.06	50.3	57.9	86.7	56.6	46.9	49.6	58.3	56	65.9	53.8	67.8	52.8	47.1	56.3	108.1	65.1	97.7	40.3	76.8		40.8	54.5	20.7	133	59.4	62.7	83	50	39.2	48.7	46.8	79.4	34.9	73.7	62.3	67.7	88.5	94.3	82.6	71.5	58.6	97.2	39.6	75.9	74.2	72.1	33.4	92.4	44.8	83.3	51.1	35.1	72.2	69.6	45.5	60.7	45.5	139.8	68.3	51.7	82.3	85.5	47.1	55.3	52	36.9	41	26.5	71	33.4	40.3	36	56.8	83.7	85.9	65.8	62.9	74.9	42.3	52.5			62.1	69.2	52.1	49.2	50.9	79.4	56.8		36.9	82.9	44.5	70.4	82.2	87.5	71.6	47.5	64.6	58.9	35	66.9	80.5	70.1
Tryptophan											20.3	39.6	69.2	41.4	20.9	17.6		22	17.9	20.8	10.1	3.6	8.1	24.9	36.8		22.6				8.1	14		89.9	25	11.4	27.8	19.1			14.3	27.8	8.3	22.8	12.1			14.4	16.9	20	21.8	33.4	15.7	56.4		12.5			11.8	17.4	9.7	19.3	17.4	10.2					21.4		12.1		7.8	18		17.8	5.2		17.4	9.6		11.5	10	12.8	11.4	27.9	29.8	35.7	9.8	15.4		26	30.5	12.4	18.4	14.5	9.9			6.9					19.8	24.9		11.4	7.3	9	9	6.9		21.7
Tyrosine	173.38	151.33	40.27	39.56	103.04	46.66	56.14	34.52	176.16	33.67	26.4	45.5	63.5	45.8	30.8	33.4	34.7	29.1	30.1	37.7	36.4	27.2	36.5	55.4	53	33.8	50.9	22.2	42.5	26.9	28.8	42.4	28.3	56.7	41.5	36.6	63.8	33.2	21.6	37.9	28.2	59.5	25.6	40	20.8	31.1	49.6	33.6	56.7	42.5	52	55.4	30	51.1	53.6	50.6	20	45.6	42.3	43.8	45.9	19.9	39	40.3	41	40.5	31.3	60.4	41.1	26.2	47.2	33.4	37	37.1	36.5	48.9	32.7	23.4	26.9	32.5	34	28.7	48.7	37.4	37.8	42.4	51.9	41	39.3	42	39.4	29.7	57.3	29.5	34.3	40.9	25.1	60.3	46.8	11.3	27.2	34.4	23.2	30.7	56.6	39.9	39.7	28.8	26.7	57.9	35.2	38.7	48.2	42.1
Valine	604.47	504.4	133.76	120.38	342.59	129.73	170.47	121	708.58	113.73	86	116.2	146.6	133.1	97.3	80	82.5	80.7	91.4	97	137.9	148.9	129.8	180.6	137.2	125.7	189.9	106.9	167.9	167.5	133	84.1	80.3	260.3	121	140.6	218.5	113.5	102.7	95.8	87.7	111.6	109.5	114.9	123.2	123.8	172.3	119.2	133	123.2	122	191.7	92.9	153	131.3	154	81.2	188.6	118.8	94.5	110.3	66.3	126.7	157.7	116.7	100.5	133.6	158.6	155.4	59.6	164.1	160	121.1	133.7	133.1	161.7	72.1	70.5	108	118.7	117.7	118.8	132.2	115.1	87.6	146.1	124.2	152.2	92.8	133.6	101.9	177.1	154.7	100.7	127	108.9	71.5	105.7	118.1	90.3	82.5	140.3	96.8	101	191.5	149	129.7	82.2	114.4	172.3	126.5	115.3	191.7	87

metabolite_name	KEGG ID
2-Hydroxybutyrate	C05984
3-Hydroxybutyrate	C01089
Acetate	C00033
Acetoacetate	C00164
Alanine	C00041
Arginine	C00062
Betaine	C00719
Carnitine	C00318
Choline	C00114
Citrate	C00158
Creatine	C00300
Creatine-phosphate	C02305
Creatinine	C00791
Dimethyl-sulfone	C11142
Dimethylamine	C00543
Glucose	C00031
Glutamate	C00025
Glutamine	C00064
Glycerol	C00116
Glycine	C00037
Histidine	C00135
Isoleucine	C00407
Lactate	C00186
Leucine	C00123
Lysine	C00047
Methionine	C00073
O-Acetylcarnitine	C02571
O-Acetylcholine	C01996
Ornithine	C00077
Phenylalanine	C00079
Proline	C00148
Pyroglutamate	C01879
Serine	C00065
Taurine	C00245
Threonine	C00188
Tryptophan	C00078
Tyrosine	C00082
Valine	C00183