metabolite_name	CH1WB	CH4WB	CH5WB	CH22WB	CH24WB	CH25WB	CH26WB	CH7WB	CH8WB	CH10WB	CH21WB	CH27WB	CH28WB	CH29WB	CH31WB	CH11WB	CH12WB	CH13WB	CH14WB	CH15WB	CH16WB	CH17WB	CH18WB	CH19WB	CH20WB
2-Hydroxybutyrate	6.3	8.9	21	6.9	20.7	18.5	18	18	8.8	22.3	22.2	4.2	15.5	29.7	132.5	9.2	12.7	16.8	9.6	12.6	11.2	12.2	15.2	13.2	30.2
2-Hydroxyisobutyrate	4.9	9.1	9.8	9.5	12.4	19	10.2	26.4	11.2	11.8	28.9	13.9	17.9	16.3	58.2	7.8	6.8	9	4.5	8.6	6.6	5.7	6.5	14.3	13.5
2-Oxoisocaproate	4.8	3	11.1	5.4	17.7	12	8.3	12.2	9	8.6	20.6	6.9	6.8	10.4	15.3	8.1	9.6	15.8	11.1	14.5	11.9	7.8	7.8	12	8.7
3-Hydroxybutyrate	75.3	336.1	215.3	103.1	234.7	283.8	160.3	306	53.2	134.9	127.5	97.5	376.5	202.5	2170.9	311.4	287.6	351.2	323.6	662.9	458.6	333.8	194.6	387.7	611.2
3-Hydroxyisobutyrate/Isobutyrate	19.3	15.2	51.2	14.4	30.9	30.9	30.2	30.9	12.8	19.3	40.9	23.1	13.6	15.7	58.2	13.1	15.2	28.3	20.2	28	24	9.9	20.5	22.1	33.4
Acetate	85.8	21.9	73.5	61.8	313	76.9	153.6	72.7	28.7	73.3	80.6	138.8	53.6	117.5	278.5	114.3	59.2	67.2	67.6	67.8	65.7	47.1	36.7	69.8	95.9
Acetoacetate	5.2	5.2	5.9	3.4	13	14.1	10.1	11.5	3.6	1.6	8	14.7	35.6	16.3	128.1	5.8	6.8	3.2	3.7	9	18.1	13.5	1.4	7.6	6.6
Acetone	2.6	1.6	1.2	2.6	8.4	5.9	1.6	0.5	3.2	2.8	2.2	4.8	6.3	10.1	46.9	2.2	0.6	1.2	2.5	2.3	8.9	6.5	1.4	1	2.6
ADP	59.7	16.5	31.6	60.5	138.3	95.6	66	91.2	41.6	50.2	70.7	120.6	83.3	105	158.1	67.3	71.9	72.6	66.2	72.5	87	87.3	99.6	47.2	93.7
Alanine	131.4	117.4	626.1	198.8	588.7	216.4	498.3	369.1	359.1	466.2	943	232.7	294.4	408.9	186.5	122.6	182.4	327.4	304.1	303.2	165.1	160.8	239.9	263.7	185.7
AMP	29.8	48.5	209.3	18.5	66.3	29.7	40.8	54.5	78.6	226	42.3	91.8	31.5	109.6	64.3	92.8	38.1	40.1	30.5	24.4	86.7	48.3	58.1	186.2	44.9
Arginine	95.5	33.1	111.8	47.1	157.8	151.8	88.9	116.6	127	144	133.6	143.4	103.1	181.2	160.4	55.7	69.6	77.4	100.4	121.2	99	80.3	73.8	82.8	135.9
Asparagine	60.4	18.2	61.9	23.1	49.8	27.3	56.7	73	57.7	70.9	77.5	80.8	39.3	27	58	47.2	32.4	11.5	34.2	45.2	57.2	24.9	32.6	44.3	35.9
Aspartate	42.7	18	62.9	14.2	51.7	33.3	25.2	69.8	47.9	54.1	55.6	104.5	54.9	99.2	52.9	36.5	30.2	15.7	28.5	22.4	46.4	35.8	54.9	52.1	22.8
ATP	163	80.1	74.5	159.4	440.9	294.3	160.2	299.5	175	73.8	205.1	183.3	388.9	226.9	469.4	205	295	247.8	242.8	183.3	183.8	197.1	195.2	195.4	279.5
Betaine/TMAO	8.3	9.3	11.2	8.5	15.4	15.8	17.1	41	74.4	92.2	62.4	123.2	108.1	177.5	240.7	23.3	24	27.6	20.6	23.7	90.4	71.6	66.1	81.7	58.3
Carnitine	10.2	3.6	28.3	13.1	33.5	11.9	13.8	20.4	23	15.2	33.2	10.3	10.3	29.3	29.1	14.8	19.1	20.1	20.6	14.4	22.9	29.5	28.5	13.2	17.4
Choline	17	16.9	67.4	13	43.6	22.2	25.3	33.5	29.3	53.3	43.8	31.3	29.3	45.7	43.4	28.5	23.8	23.8	27.5	23.5	33.3	27.2	25.9	41.2	24.9
Citrate	29.5	18.4	39.2	29	93.8	39.9	44.5	55.6	15.4	24.4	38.9	78.4	85	94.1	87.8	27.4	49.3	33.6	54.2	44	36.7	47.7	55.4	34.7	89.3
Creatine	29.3	56.5	111.7	36.8	74	68.4	67.2	108.2	56.2	68.5	190.7	84.9	174.5	112.6	178.7	67.1	73.2	93.5	85.5	72.6	70.8	63.4	92.2	85.8	99.8
Creatine phosphate	8.2	7.7	12.8	7.1	11.5	9.9	5.8	16.1	4.6	9.4	27.6	7.9	7.8	2.4	15	10.6	9.5	12.9	9.2	9.2	5.7	11.2	4.4	6.3	15.8
Dimethylamine	4.2	0.6	3.7	1.5	2.6	2.6	2.6	3.3	2.9	4.7	5.2	4.7	5.5	4.4	4	2.2	5.7	2.8	1.9	4	3.2	2.2	3.1	2.7	2.8
Dimethyl sulfone	2.6	2.1	8.4	1.3	9.1	4.2	6.8	9.7	3.7	9.6	12.1	5.2	7.8	13.6	10.6	4.1	6.7	9	8.3	6.6	3.4	5.1	7.5	8.4	8.3
Formate	12.3	11.2	90.8	13.1	32	17.9	25.4	34.4	21.5	45.9	33.5	28.2	24.5	26.4	32.7	25.9	23.2	14.4	21.5	20.1	20.2	12.9	30	13.9	17.3
Glucose	3307.5	1909.5	4706.5	2557.7	5555.4	2970.4	3982.7	5273	3186.9	5059.9	4936	4661.7	3500.5	3972.4	3550.1	2466.3	4592.9	5112.8	5007.5	4791.9	2834	3736.1	2598.1	4122.9	2735.3
Glutamate	84.9	30.2	161.7	71.7	228	77.6	144.5	130.9	138.7	216	110.5	192.5	74.4	145.6	100.2	77.2	83.9	78.1	71.9	89.7	124	120.9	71.7	108.2	92.8
Glutamine	298.9	177.1	92.1	165.3	461.1	278.4	284.2	561.6	428.4	453.5	608.9	431.4	428.2	562.9	552.4	225.1	300.3	255.2	284.5	277.2	279.9	256.2	266.5	309.9	430.9
Glutathione	343.8	133.2	311.2	227	633.4	423.8	395.4	539.6	312.3	381.9	322.7	426.9	377	575.6	435.8	373.1	429.6	452.3	417.5	425.3	401.3	417.9	339.2	413.5	389.5
Glycerol	37.6	26.2	71.3	30.9	80.8	21.7	66.6	104	95.3	89.7	97.1	84.7	80.7	106.9	66.9	146.2	92.9	77	120.2	109.4	66.4	29.8	39.7	94.3	109.4
Glycine	146.3	104.6	309.8	102.4	282	147.2	157.3	285.1	101.8	259.1	205.1	232	211.4	262	154.4	120.9	135	167.7	189.8	151.1	218	173.3	190.7	221.7	253.2
Histidine	33.6	51.3	61.3	18.4	30.1	14	30.9	72.6	52.3	59.1	106.5	39.3	25.5	84.7	33.2	25.4	43.3	41	26.1	26.9	40.1	24.7	31.5	39.9	50.3
Homocysteine	64.9	21.6	108.5	48.8	95.1	45	75.9	72.7	64.3	105.9	97.9	74.3	58.7	28.7	93	64.2	85	99.2	106.8	103.9	93	77.2	113.3	92.5	117.1
Inosine monophosphate (IMP)	19.4	13.7	42.6	9.1	38	16.5	25.2	22.5	20	97.3	13.6	38.7	25.3	56.6	21.2	59.4	22.5	19	15.9	11.9	26.3	16.8	20.6	59.9	6.5
Isoleucine	48	63.3	144	41	116.2	65	74	95.3	51	89.4	102.6	94.6	65.1	91.4	93.8	70.6	70.9	118	68.1	86.7	74.2	69.4	46	68.5	47.6
Lactate	1208.1	1157.4	3333.7	1246.8	3324.5	1827.7	2530.9	1796.1	1790.1	1384	4318.2	1447.5	1546.5	2104.5	2129.3	1181.3	1366.7	2146.6	1589.1	1573.3	844.7	830.8	1664.9	1184.6	1308.1
Leucine	75.5	119.6	162.5	63.6	200	124.8	131.2	157.1	86.3	138	178.7	132.9	93	124.1	109.1	85.9	117.6	170.8	113.4	123.8	112.1	103.4	93	114.2	87.4
Lysine	132.9	90.9	256.4	109.7	235.7	140.3	172.2	211.9	189.1	227	315.6	252.4	169.9	221.4	133.4	103.4	122.4	145	145.3	113.6	80.6	104.3	93.7	94.9	82.8
Malonate	50.3	30.6	49.8	32.3	112.3	66.3	87.9	92.9	56.8	56	76.6	110.3	84.9	132.7	140.9	52.9	64.4	68	53.9	79.5	60.3	46.7	53.3	61	54.5
Methionine	40.5	29.4	61.6	29.2	83.6	20.6	72.3	65.2	56	58.9	148	76	51.1	86.7	34.4	29.2	34.7	48.1	36.8	44.5	41.5	22.4	37.9	44.5	42.4
NAD+	25.8	16.5	7.5	5.7	5	13.7	15.9	23.3	7.7	12.4	15.8	15.2	18.5	27.1	15	9.4	12.9	16.7	11.6	13.8	3.9	11.6	5	13.4	6.2
Acetylcarnitine	10.1	11.7	21.9	8.4	20	13.9	15.9	21.5	13.5	21.5	21.3	15.5	19.1	23.6	19.9	17.5	18.2	18.2	17.6	17.2	15	15.3	19.8	14.3	16
Ornithine	29	18.9	46.6	28.7	50.9	26.8	38	62.6	15.1	37.9	58.9	55.6	39.5	62.9	26	15.2	26.4	32.8	29.7	28.8	20.5	25.9	20.8	26.2	26.5
Phenylalanine	35.6	32.3	54.5	30.9	58.9	44.6	54.7	92	38.9	55.7	99.5	54.9	68.5	50.4	48.6	47.9	56	52.1	45.8	36.3	35.1	31.1	37.2	32	46
Proline	74.5	44.9	104.5	70.6	86.6	126.1	119.5	129.4	102.6	151.9	315.3	129.3	139.2	213.7	115.3	50.5	95.6	80	90.6	130.7	75	65.2	61.3	81.5	143.9
Pyruvate	7.4	1.4	15.9	5.2	13	2.2	12.9	7.4	5.2	10.6	9.4	15.2	7.3	19.1	8.4	5	5.6	6.5	3.9	5.4	12.1	6.7	4.3	10.8	6
Sarcosine	7	5.9	4.2	2.1	6.8	2.7	6.2	11.4	3.7	2.1	6.7	10	4.3	6.7	3.9	3.5	4	5.4	3.1	3	5.9	1.6	4.3	3.2	2.7
Serine	86	40.4	152.3	20.2	66.1	72.1	117.7	154.4	147.2	156.5	196	79	24.9	161.4	60.7	143.8	80.2	87.6	98.6	98.8	71.4	58.1	139.1	114.2	109
Succinate	5.7	3.2	8.6	5.9	19.7	5	13.3	4.3	10.8	3.1	7.5	11.1	11	11.3	21.6	4.9	8.4	6.4	11.7	11.6	5.1	8.9	6	6.4	5.1
Taurine	237	317.7	767.8	289.3	927.3	408.2	490.6	513.3	397.7	736.6	914.8	462.6	885.6	993.7	1207.9	466.3	487.8	462.8	630.8	463	612.8	503.6	752.7	722.9	917.4
Threonine	69.2	61.1	177.4	36.2	180.2	74.5	68.9	104.7	104.4	152	120.2	78.4	35.8	104.9	94.6	77.2	79	86.9	77.9	80.4	73.6	41.2	43.6	47.8	84.1
Trimethylamine N-oxide (TMAO)/Betaine	18.7	9.8	41	21.6	35.9	27	40.2	51	17.6	28.7	28.8	28.2	15	28.7	29.2	32.7	32.7	41.2	41.6	41.6	30	25.7	54.9	26.8	53.8
Tryptophan	35.4	9.9	55.5	21	43.6	32.1	45.3	59.6	35.5	53.7	74.9	63.3	51.5	77.1	47.8	11.1	41.4	32.6	35.8	35	46.9	23.5	32.2	43.7	30.5
Tyrosine	47	26	67.4	41.3	68.8	41.5	57.9	66.9	52.6	67.7	117.1	54.2	43.9	46	31.8	35.1	49.1	60.9	63.4	45.8	45.2	29.6	41.7	65	53.1
Valine	119.8	161.7	265.5	85.4	233.9	134.2	164.4	170.2	104.5	169.2	225.4	216	122.3	176.7	141.5	94.6	118.2	189.1	121.8	147.7	123.8	117.9	89.4	112.5	83.3

metabolite_name	KEGG ID
2-Hydroxybutyrate	C05984
2-Hydroxyisobutyrate
2-Oxoisocaproate	C00233
3-Hydroxybutyrate	C01089
3-Hydroxyisobutyrate/Isobutyrate	C06001/C02632
Acetate	C00033
Acetoacetate	C00164
Acetone	C00207
ADP	C00008
Alanine	C00041
AMP	C00020
Arginine	C00062
Asparagine	C00152
Aspartate	C00049
ATP	C00002
Betaine/TMAO	C00719/C01104
Carnitine	C00318
Choline	C00114
Citrate	C00158
Creatine	C00300
Creatine phosphate	C02305
Dimethylamine	C00543
Dimethyl sulfone	C11142
Formate	C00058
Glucose	C00031
Glutamate	C00217
Glutamine	C00064
Glutathione	C00051
Glycerol	C00116
Glycine	C00037
Histidine	C00135
Homocysteine	C00155
Inosine monophosphate (IMP)	C00130
Isoleucine	C00407
Lactate	C00186
Leucine	C00123
Lysine	C00047
Malonate	C00383
Methionine	C00073
NAD+	C00003
Acetylcarnitine	C02571
Ornithine	C00077
Phenylalanine	C00079
Proline	C00148
Pyruvate	C00022
Sarcosine	C00213
Serine	C00065
Succinate	C00042
Taurine	C00245
Threonine	C00188
Trimethylamine N-oxide (TMAO)/Betaine	C01104/C00719
Tryptophan	C00078
Tyrosine	C00082
Valine	C00183