Metabolite_name	RefMet_name	AF20_BC_196	AF20_BC_197	AF20_BC_198	AF20_BC_205	AF20_BC_191	AF20_BC_192	AF20_BC_194	AF20_BC_195	AF19_BC_217	AF19_BC_218	AF19_BC_219	AF20_BC_209	AF19_BC_214	AF19_BC_215	AF19_BC_216	AF20_BC_206
Factors	-	Organ:Cecum | Treatment:Germfree | Diet:Fiber-free	Organ:Cecum | Treatment:Germfree | Diet:Fiber-free	Organ:Cecum | Treatment:Germfree | Diet:Fiber-free	Organ:Cecum | Treatment:Germfree | Diet:Fiber-free	Organ:Cecum | Treatment:Germfree | Diet:Fiber-rich	Organ:Cecum | Treatment:Germfree | Diet:Fiber-rich	Organ:Cecum | Treatment:Germfree | Diet:Fiber-rich	Organ:Cecum | Treatment:Germfree | Diet:Fiber-rich	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-free	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-free	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-free	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-free	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-rich	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-rich	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-rich	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-rich
1_3-Diaminopropane	1,3-Diaminopropane					4.4000	4.7000	2.8000	4.9000						5.7000		
1-Amino-1-cyclopentanecarboxylate	1-Azaniumylcyclopentane-1-carboxylate																
1-Aminocyclopropane-1-carboxylate	1-Aminocyclopropanecarboxylic acid																
1-Methyl-2-pyrrolidinone	N-Methylpyrrolidin-2-one																
1-Methyladenosine	1-Methyladenosine	13	16	12	14	24	18	17	16	6.7000		5.1000	5.8000	11	14	7.4000	21
1-Methylhistamine	1-Methylhistamine	1.3000	0.4900	0.5000		0.8600		0.2600	0.4800	0.4200	0.3600	0.3400	1.6000	1.3000	1.5000	1.2000	0.6800
1-Methylnicotinamide	1-Methyl nicotinamide	75	44	31	38	45	16	11	19	22	42	15	21	55	51	53	66
2_3-Diaminopropionate	2,3-Diaminopropionic acid																
2_4-Diaminobutyrate	2,4-Diaminobutyric acid													4	3.7000	3.7000	3.4000
2_4-Dimethylaniline	2,4-Dimethylaniline																
2AB	2S-Aminobutyric acid	15	7	11	7.9000	4.3000	4.9000	5	6.1000	148	131	219	166	62	55	81	95
2-Aminobenzimidazole																	
2-Aminophenol	2-Aminophenol													4.7000	4.2000	4.8000	4.4000
2^-Deoxycytidine	Deoxycytidine	148	162	123	154	109	106	80	74	2.1000	2.7000	3.5000	3.1000	11	9.5000	7.5000	6.9000
2^-Deoxyguanosine	Deoxyguanosine	246	304	228	265	233	198	164	151	28	18		16	39	29		33
2^-Deoxyinosine	Deoxyinosine	611	747	502	562	486	429	405	275								
2-Deoxystreptamine	2-Deoxystreptamine																
2-Guanidinobenzimidazole	2-Guanidinobenzimidazole	1.4000	1.6000	1.2000	1.6000					3.9000	4.2000	2.7000	2				
3_3^_5-Triiodothyronine	Liothyronine																
3_5-Diiodo-tyrosine	3,5-Diiodo-L-tyrosine																
3-Aminoisobutyrate	3-Aminoisobutanoic acid																
3-Aminopropane-1_2-diol	(S)-3-Amino-1,2-propanediol									70	72	73	63	76	81	79	67
3-Aminopropionitrile																	
3-Chloroalanine																	
3-Hydroxyanthranilate	3-Hydroxyanthranilic acid																
3-Hydroxykynurenine	Hydroxykynurenine																
3-Iodotyrosine	Iodotyrosine																
3-Methoxytyramine	3-Methoxytyramine																
3-Methyladenine	3-Methyladenine																
3-Methylguanine	3-Methylguanine																
3-Methylhistidine	3-Methylhistidine	3.2000	2.1000	3.3000	2.7000	10	13	12	6.8000	3.2000	2.6000	2.7000	2.7000	23	29	25	19
4-Amino-3-hydroxybutyrate												0.8800		1.2000		2	
4-Aminosalicylate	Aminosalicylic acid																
4-(beta-Acetylaminoethyl)imidazole	N-Acetylhistamine									1	1.1000	1.1000	2.3000	8.2000	11	8	3.2000
4-Hydroxymethylimidazole	Imidazole-4-methanol									3.2000	3.9000		2.4000		2.6000		1.7000
4-Methyl-5-thiazoleethanol	5-(2-Hydroxyethyl)-4-methylthiazole									1.5000	1.5000	1.3000					
5_6-Dimethylbenzimidazole	Dimethylbenzimidazole																
5-Aminolevulinate	5-Amino-levulinic acid	3.3000	2.6000	2.6000	3.3000	2.1000	3	3.1000	2.8000	4.6000	5.3000	5.6000	6.1000	15	13	14	8.9000
5-Aminovalerate	5-Aminopentanoic acid	31	30	26	38	34	34	38	15	361	294	317	336	138	201	153	7.9000
5^-Deoxyadenosine	5'-Deoxyadenosine																
5-Hydroxyindoleacetate	5-Hydroxyindoleacetic acid	30		23		92	100	81	55	22			25	752	824	804	645
5-Hydroxylysine	5-Hydroxylysine	3.7000	3.5000	3.3000	3.6000	8.9000	13	11	6.8000	7.2000	5.6000	6.5000	5.5000	13	18	15	10
5-Hydroxytryptophan	5-Hydroxy-tryptophan																
5-Methoxyindoleacetate	5-Methoxyindoleacetic acid																
5-Methoxytryptamine	5-Methoxytryptamine																
5-Methyl-2^-deoxycytidine	5-Methyl-2'-deoxycytidine	8.2000	11	7.6000	8.7000	20	19	16	14								
5-Methylcytosine	5-Methylcytosine																
5-Methyltetrahydrofolate	5-Methyl-THF													55	45	43	26
5-Methylthioadenosine	5'-Methylthioadenosine	14	12	9.9000	12	4.5000	2.9000	3.8000	2.3000	17	34	12	19	14	13	17	26
5-Oxoproline	Pyroglutamic acid	81	78	69	81	91	130	161	46	44	52	30	29	40	48	32	66
6-Aminohexanoate	Aminocaproic acid	35	37	30	39	9.5000	10	8.6000	4.6000	96	92	89	72	21	22	20	6.9000
6-Hydroxynicotinate	6-Hydroxynicotinic acid																
6-Methylaminopurine	6-Methyladenine																
7_8-Dihydrobiopterin	7,8-Dihydrobiopterin	19	14	11	13	16	11	10	7.2000	29	52	27	18	19	18	22	20
7_8-Dihydroneopterin	7,8-Dihydroneopterin																
7-Methylguanine	7-Methylguanine	15	14	11	12	22	16	16	15	16	19	14	18	26	24	26	27
Acetylcholine	Acetylcholine	1	0.6300	0.6800	0.7500	0.4500	0.4500	0.9800	0.4200	11	7.1000	11	20	1.7000	2.6000	1.4000	1.3000
Adenine	Adenine									11	11	6.8000	14	15	18	18	22
Adenosine	Adenosine	25	1.6000	4.2000	2.3000	33	19	52	19	7.8000	12	8.1000	18	24	31	32	37
ADMA	Dimethylarginine	12	14	11	11	14	17	13	7.7000	36	32	45	43	74	88	81	56
Agmatine	Agmatine	0.4100				1.7000	2.6000	1.5000	1.3000	0.8400	1.8000	1.3000	1.7000	3.7000	4	3.7000	10
AICAR	AICAR																
Ala	Alanine	2011	1575	2606	1932	1409	1789	2100	698	4745	3166	3940	4324	1234	1732	1683	2145
Ala-Ala	Ala-Ala	22	6.3000	22	9.5000	19	14	19	10	134	112	117	129	376	391	401	536
Allantoin	Allantoin	1686	1253	1474	1344	1439	1516	1036	986	1224	2141	1210	960	2793	2575	2528	2389
Alliin	Alliin																
alpha-Aminoadipate	Aminoadipic acid	10	9.6000	7.7000	8.8000	33	39	48	11	12	11	8.9000	8.8000	24	36	27	30
alpha-Methylbenzylamine																	
Alpha-Methylserine	Alpha-Methylserine									11	11	11	12	18	15	21	24
Amantadine	Loratadine																
Aniline	Aniline																
Anserine	Anserine	1.7000	1.6000	1.6000	1.4000	42	44	40	23	1.7000	2.2000	1.7000	1.9000	28	35	31	39
Anthranilate	2-Aminobenzoic acid																4.9000
Arg	Arginine	2013	1740	2090	1939	1687	2163	1994	1005	1663	725	654	271	173	234	231	202
Arginine ethyl ester	Ethyl arginate																
Argininosuccinate	Argininosuccinic acid	98	60	58	64	140	86	79	60	80	83	56	89	90	96	87	119
Asn	Asparagine	3600	3591	3547	3913	2441	3636	3511	1013	93	70	59	39	47	62	63	90
Asp	Aspartic acid	2931	2603	2509	2731	1869	1856	1739	1040	1985	1258	1063	1099	1394	1272	1397	2787
Benzamide	Benzamide																
Benzamidine	Benzamidine																
Benzimidazole	1H-Benzimidazole																
beta-Ala	beta-Alanine	8	8	12	12	37	44	47	19	44	44	56	62	75	87	80	81
beta-Ala-Lys							0.9800	0.9000	0.3800								
beta-Cyanoalanine	Cyanoalanine																
beta-Imidazolelactate	Imidazolelactic acid																
Betaine	Betaine	124	113	137	115	83	87	150	102	332	259	311	739	439	525	447	466
Betaine aldehyde	Betaine aldehyde	67	80	93	86		33	42	24	27		42	56	29	31	28	42
beta-Leucine	beta-Leucine																
Betonicine	Betonicine																
Bis(3-aminopropyl)amine	Norspermidine																
Cadaverine	Cadaverine	1.1000	1.4000	1.1000	2.6000	5.1000	9.8000	4.1000	6.8000	1965	467	2116	153	107	241	116	20
Canavanine	Canavanine																
Carnitine	Carnitine	82	55	74	58	52	46	70	45	92	72	51	111	11	20	37	26
Carnosine	Carnosine	2.3000	2.2000	1.6000	1.9000	0.9400	1.1000	1.3000							0.7500		
Castanospermine	Castanospermine													4.7000		2.5000	2.7000
Choline	Choline	3733	2068	3369	4348	748	1197	3151	621	7975	7769	5485	12941	2152	2775	1896	1695
Citrulline	Citrulline	125	84	82	81	111	156	152	51	1695	903	928	745	440	433	473	158
Creatine	Creatine	3660	2760	2727	2340	1244	822	1134	776	3169	3047	3046	5072	2105	2298	3052	2171
Creatinine	Creatinine	316	139	99	160	1819	1647	1554	1154	181	433	138	128	1490	1816	1478	1312
Cyanocobalamin	Cyanocobalamin																
Cyclohexylamine	Cyclohexylamine																
Cys	Cysteine																
Cys-Gly	Cys-Gly																
Cystathionine	Cystathionine																
Cysteamine	Cysteamine																
Cysteine-glutathione disulphide		78	4	29	6.3000	24	9.4000	23	20		2.4000		2.6000		2.5000	6.6000	15
Cystine	Cystine	215	245	548	273	213	157	121	103	59	72	123	29	2.5000	4.1000	3.8000	4.4000
Cytidine	Cytidine	371	368	367	365	338	317	286	249	61	60	50	40	67	61	55	41
Cytosine	Cytosine					2.3000	3.2000	2.2000	2.4000	2.2000	1.9000	2.4000			1.6000		3.3000
Desthiobiotin	Dethiobiotin																
Diethanolamine	Diethanolamine		3				3.1000	9.4000			19	2.2000	0.1600	3.8000	8.1000		13
Dihydrouracil	Dihydrouracil																
DOPA	DOPA	2		1.7000	1.7000	48	52	32	33	2.7000		2.5000	1.5000	2.1000	3	2.4000	3.1000
Dopamine	Dopamine													5	4.1000	4.4000	3.3000
Ectoine	Ectoine																
Epinephrine	Epinephrine																
Ethanolamine phosphate	Phosphoethanolamine																
GABA	gamma-Aminobutyric acid	25	17	15		86	90	85	24	95	63	73	4.2000	126	138	149	101
gamma-Butyrobetaine	3-Dehydroxycarnitine	2.4000	1.7000	2.3000	1.9000	3.3000	3.9000	3.7000	3.7000	54	46	74	21	75	84	91	64
gamma-Glu-2AB	gamma-Glutamyl-2-aminobutanoate																
gamma-Glu-cys	gamma-Glutamylcysteine																
gamma-Guanidinobutyrate	4-Guanidinobutanoic acid	76	70	50	88	66	68	69	22	17	39	18	23	112	129	116	71
Gln	Glutamine	2892	2661	2935	3087	2070	3061	2992	996	1294	675	491	477	963	1514	1115	1706
Glu	Glutamic acid	10441	9645	7837	9752	4668	4547	4238	2712	3969	3337	2890	3036	2320	2475	2709	7606
Glucosaminate	Glucosaminic acid					14	11	9.6000	12					23	25	22	21
Glucosamine	Glucosamine	103	65	45	53	200	232	141	126	44	14	30	15	96	29	31	46
Glu-Glu	Glu-Glu	11	9	12	12	9	10	8.8000	5.3000	94	166	143	234	6.2000	7.8000	8.2000	8.1000
Glutathione(ox)	Oxidized glutathione	30		4.2000		17	5.8000	29	15								20
Glutathione(red)	Glutathione															4.8000	11
Gly	Glycine	2880	2708	3107	3166	2127	3304	3428	657	3145	2368	3663	4064	746	1174	1076	649
Glycerophosphorylcholine	sn-Glycero-3-phosphocholine	419	37	175	100	227	130	268	181	98	38	27	77	95	176	217	439
Gly-Gly	Gly-Gly	80	88	85	93	40	56	46	11	21	11	14	17	12	18	14	11
Gly-Leu	Gly-Leu	16	16	30	20	15	16	14	8.5000	82	49	40	25			3.4000	
Gramine																	
Guanidinoacetate	Guanidoacetic acid	6.3000	5.4000	7.2000	5.9000	7	8.3000	8.3000	6.4000	11	8.4000	7	12	8.4000	10	13	11
Guanidinosuccinate	Guanidinosuccinic acid	22	17	11	16	16	7.8000	7.1000	7.8000	21	42	15	20	30	22	31	20
Guanine	Guanine	2.3000	1.7000	2.4000	2.8000	28	20	29	20	29	24	15	12	18	20	22	23
Guanosine	Guanosine	671	879	776	759	594	437	442	372	167	107	66	55	102	117	95	83
Harman	Harman																
Hexylamine	Hexylamine																
His	Histidine	664	614	813	762	416	593	650	209	348	184	125	107	99	114	121	138
Histamine	Histamine	1.1000	1.1000	3.2000	0.9300	4	3.5000	4.2000	2.7000	1.8000	1.3000	0.9700	2	20	31	18	3.5000
Histidinol	L-Histidinol										1.6000	1.1000	1.2000	2.9000	2.7000	2.1000	1.4000
Homocarnosine	Homocarnosine																
Homocysteine	Homocysteine																
Homocystine	Homocystine																
Homoserine	Homoserine	7.1000	8.9000	12	11	5.6000	4.4000	5	4.1000	16	37	13	29	25	50	31	53
Hydroxyproline	Hydroxyproline	20	17	20	18	245	311	261	85	91	83	90	57	2432	2810	2582	1287
Hydroxyurea	Hydroxyurea																
Hypotaurine	Hypotaurine	355	95	197	159	72	57	94	47	19		6.8000	10	7.3000	14	30	35
Hypoxanthine	Hypoxanthine	78	21	94	21	55	38	75	47	118	54	40	52	42	76	98	67
Ibotenate																	
Ile	Isoleucine	1043	1038	1530	1240	577	716	769	228	1706	1089	1145	1036	83	109	128	161
Imidazole-4-acetate	Imidazoleacetic acid	11	6	4.7000	6.5000	5.1000	3.2000	5.8000	2.8000	8.1000	9.9000	6.7000	6.1000	11	8.7000	12	6.1000
Indole-3-acetaldehyde	Indoleacetaldehyde	357	253	327	289	299	253	195	202	290	421	292	249	488	481	476	446
Indole-3-acetamide	1H-Indole-3-acetamide																
Indole-3-acetate	Indoleacetic acid	19	15	14	14	16	10	15	12	22	25	19	22				
Indole-3-ethanol	Tryptophanol	25	23	24	24	29	31	23	22	23	23	24	25	41	43	42	40
Inosine	Inosine	933	867	983	802	606	412	535	360	855	621	540	587	594	683	681	534
Isoamylamine	3-Methyl-1-butylamine																
Isobutylamine																	
Isonicotinamide																	
Isopropanolamine	Isopropanolamine				2.3000	1.8000	1.8000			48	46	57	49	73	189	90	121
Kynurenine	Kynurenine					2.5000	2.9000	2.7000									
Leu	Leucine	1083	1066	1922	1210	825	863	1028	370	3122	1533	1421	1161	91	123	131	185
Leu-Leu-Tyr	Leu-Leu-Tyr																
Lys	Lysine	2470	2107	2215	2428	1640	2189	1974	860	3976	3642	4638	3290	360	407	453	497
Lysinamide	Lysinamide	5	4.1000	4.4000	4.5000					5.3000	6.3000	5.8000	6.6000	3.2000	3.9000		1.8000
Mannosamine	2-Amino-2-deoxy-D-mannose	28	17	10	14	45	46	40	29	9.7000		8	5.4000	37	37	27	45
Melamine	Melamine																
Melatonin	Melatonin																
Met	Methionine	335	251	535	311	235	208	273	88	1291	894	885	684	83	114	114	122
Metformin	Metformin																
Methionine sulfoxide	Methionine sulfoxide	54	56	73	60	36	44	56	19	112	105	95	67	13	17	33	18
Methionine sulfoximine	Methionine sulfoximine																
Methylguanidine	Methylguanidine																
Muramate	Muramic acid																
Muscimol	Muscimol																
N1-Acetylspermidine	N1-Acetylspermidine	26	16	14	16	13	7.9000	5.3000	8	46	42	51	29	45	51	49	147
N1-Acetylspermine	N1-Acetylspermine																8.3000
N1_N12-Diacetylspermine	N1,N12-Diacetylspermine		0.6000	0.5600	0.5800					2.1000	1.6000	2.3000	1.3000				32
N1_N8-Diacetylspermidine	N1,N8-Diacetylspermidine	1.7000			1.7000	2.3000	2.5000	1.6000	1.6000	2.7000	3.6000	2.8000	2.3000	4.2000	3.3000	3.7000	16
N6-Methyl-2^-deoxyadenosine	N6-Methyl-2'-deoxyadenosine																
N6_N6_N6-Trimethyllysine	N-6-Trimethyllysine	15	14	13	12	15	17	14	8.5000	24	19	26	26	28	33	31	19
N8-Acetylspermidine	N8-Acetylspermidine	5.4000	3	2.9000	3.2000	3.4000	2.6000	2	2.3000	17	17	20	13	28	29	30	50
N-Acetylglucosamine	N-Acetyl-D-glucosamine	146	134	121	125	195	175	164	117	123	111	96	91	91	125	96	96
N-Acetylglucosylamine	N-Acetyl-beta-glucosaminylamine	36	37	47	34	74	100	84	45	162	142	126	181	31	22	28	23
N-Acetylhistidine	N-Acetylhistidine	24	16	12	18	41	40	34	24	3.4000	4.6000	3	3.1000	5.6000	4.7000	5.9000	6.3000
N-Acetylornithine	N-Acetylornithine	5.5000	5.2000	4.7000	5.3000	5.6000	5.5000	4.2000	3.9000	34	30	22	28	34	27	32	45
N-Acetylputrescine	N-Acetylputrescine	3.8000	2.4000	1.9000	2.6000	5.4000	4.6000	3	2.9000	43	38	37	53	39	45	39	54
N-Acetylvaline	N-Acetylvaline	42	41	32	42	11	12	9.1000	7.9000	71	65	57	57	25	27	26	32
N-alpha-Benzenolarginine ethylester	Bz-Arg-OEt																
N-alpha_N-alpha-Dimethylhistidine	N,N-Dimethylhistidine					1.5000	1.4000	1.4000	0.7800					1.9000	2.1000	1.3000	1.3000
n-Butyl a-Picolinate																	
N-epsilon-Acetyllysine	N6-Acetyllysine	3.3000	3	4.2000	2.9000	3.4000	4.5000	4.6000	1.9000	7.3000	6.3000	7.9000	7.7000	4.5000	5.9000	5.4000	5.3000
N-gamma-Ethylglutamine	N(5)-Ethyl-glutamine																
Nicotinamide	Niacinamide	60	8.8000	39	13	46	27	60	39	108	54	49	44	29	33	48	75
Nicotine	Nicotine																
N-Methylalanine	N-Methylalanine									3.7000	3.9000	5.3000	3.7000	5.8000	5.2000	5.9000	4.7000
N-Methylaniline	N-Methylaniline																
N-Methylglutamate	N-Methyl-glutamic acid																
NMN	Nicotinamide ribotide	3.9000	1.2000	5.6000		9.7000	5.6000	11	1.6000	57	98	96	188	78	78	79	125
N_N-Dimethylglycine	Dimethylglycine	6.6000	5.7000	5.1000	5.4000	6.3000	7	6.2000	3.9000	5.7000	5	5.2000	7.7000	7.5000	8.2000	7.1000	7.3000
N-omega-Methyltryptamine	N-Methyltryptamine																
Noradrenaline	Xi-Norepinephrine													3.7000	1.6000		3.1000
Nornicotine	Nornicotine																
o-Acetylcarnitine	CAR 2:0	42	22	42	21	17	12	37	21	21	5.6000	7.5000	24	3.4000	8.8000	25	27
O-Acetylserine	O-Acetylserine													2.3000	3.4000	3.8000	7.1000
Octopine	Octopine					49	48	43	24						11	8.6000	57
Octylamine	Octylamine																
Ophthalmate	Ophthalmic acid	19	17	17	17	117	128	108	71	15	15	14	12	66	79	66	65
Ornithine	Ornithine	35	36	36	31	36	49	43	28	1833	1373	1885	2057	227	189	260	90
o-Succinylhomoserine	o-Succinylhomoserine	103	92	74	100	131	111	126	108	59	81	53	60	60	65	65	77
p-Aminobenzoate	p-Aminobenzoic acid																
Phe	Phenylalanine	441	419	819	526	393	470	572	204	1485	783	709	496	83	111	122	100
Phenethylamine	Phenylethylamine																
Phenylethanolamine	2-Hydroxyphenethylamine																
Phe-Phe	Phe-Phe																
Phosphorylcholine	Choline phosphate	14		25		25	13	61	35	44	40	19	72	32	43	83	109
Picolinamide	Picolinamide																
Pipecolate	Pipecolic acid	1.4000	0.9200	1.3000	1.3000	1.5000	2.5000	3	1.5000	41	49	58	36	61	75	73	32
Pro	Proline	9139	9466	7710	8922	5208	6328	5704	1062	20176	20381	21492	19937	7598	8520	8204	5264
Proline betaine	Proline betaine					0.8100		0.8500						1.4000	0.9200	1.1000	1.2000
Pseudopelletierine	psi-Pelletierine																
Pterin	Pterin																
Purine	Purine																
Purine riboside	Nebularine																
Putrescine(1_4-Butanediamine)	Putrescine	16	2.6000	3.6000	3.2000	7.9000	9.5000	6.6000	8.1000	70	28	55	49	87	183	101	58
Pyrazole	1H-pyrazole																
Pyridoxal	Pyridoxal					9.2000	8.6000	8	4.5000	4.5000	2.6000	4.5000	4.9000	17	17	18	16
Pyridoxamine	Pyridoxamine									2.8000	2.5000	3.9000	2.7000	9.8000	9.1000	13	4.6000
Pyridoxamine 5^-phosphate	Pyridoxamine 5'-phosphate																13
Pyridoxine	Pyridoxine					6	5.4000	4.7000	3.5000				1.2000	13	15	15	15
Riboflavin	Riboflavin											27		56	46	38	
Saccharopine	Saccharopine	13	8.3000	8.1000	10	66	59	58	43	46	8.9000			9.2000	8.3000	6.9000	5.7000
SAH	S-Adenosylhomocysteine	1.6000	0.4300	1.2000	0.5800	1.8000		1.4000	0.6500	4.6000	1.7000	2.6000	8	10	15	3.8000	2.6000
SAM+	S-Adenosylmethionine	19	12	12	14	6.2000	3.2000	3.7000	3.9000	39	49	32	38	48	54	52	60
Sarcosine	Sarcosine	6.3000	4.7000	3.3000	3.6000	6.7000	5.7000	4.1000	3.2000	6.7000	8.4000	6.2000	7.4000	7.8000	8.3000	8.1000	8.4000
SDMA	Symmetric dimethylarginine	2.2000	3.6000	3	2.3000	3.4000	3.7000	3.2000	1.9000	6.7000	6.1000	7.2000	7.7000	12	13	14	8.1000
Sepiapterin	Sepiapterin																
Ser	Serine	3403	3217	3960	3748	1860	2615	2644	703	1781	1160	956	755	297	418	463	740
Serotonin	Serotonin	19		8.5000		8.8000	6.5000	13	22	13	14	6.9000	13	20	22	21	42
S-Lactoylglutathione	S-Lactoylglutathione																
S-Methylmethionine	S-Methylmethionine																
Spermidine	Spermidine	19	5.2000	7.4000	6.6000	8.1000	8.8000	5.1000	7.6000	84	76	95	76	301	378	270	184
Spermine	Spermine	0.9900	0.7600		0.7900					0.7900	0.5100	0.6900	1.1000	1.3000	2.6000	1.7000	1.3000
Synephrine	Synephrine																
Taurine	Taurine	1158	453	1181	535	315	194	502	320	5143	4414	7537	6603	2136	2128	3134	3544
Taurocyamine	Taurocyamine																
Tetrahydropalmatine	Tetrahydropalmatine																
Thiamine	Thiamine	2.4000	2.7000	2.6000	2.4000	4.6000	4.8000	4.3000	3.3000	1.3000	1.5000	2.2000	2.7000	1.5000	1.4000	0.9400	0.8100
Thiamine monophosphate	Thiamine monophosphate									2.4000	3.3000		4.4000	2.4000			
Thr	Threonine	5318	5045	4867	5537	3075	4474	3830	1463	1179	559	488	449	268	364	325	513
Thymidine	Thymidine	210	249	210	211	458	441	393	287	130	143	137	133	421	448	437	363
Thymine	Thymine	655	743	722	618	3591	3643	3457	2930	656	553	631	706	970	934	879	885
trans-Zeatin	trans-Zeatin										3.7000						
TRH	Thyrotropin releasing hormone																
Trientine	Trientine																
Trigonelline	Trigonelline					28	23	11	8					4.5000	5.3000	5.6000	22
Trimethylamine	Trimethylamine	12	10	14	15	15	12	20	28	12	11	14	21	47	54	39	50
Trimethylamine N-oxide	Trimethylamine N-oxide	19	8.8000	7.6000	8.5000	355	175	171	151								
Trimethylsulfonium	Trimethyl sulfonium																
Tropine	Pseudotropine																
Tropinone	Tropinone																
Trp	Tryptophan	239	272	425	320	181	263	277	108	243	122	93	81	80	92	84	74
Tryptamine	Tryptamine																
Tyr	Tyrosine	807	779	1202	963	478	658	672	260	1652	873	950	886	76	92	99	118
Tyramine	Tyramine									1.6000				3.9000	7	4.8000	
Uracil	Uracil	80	109	135	77	59	54	61	35	103	77	45	77	51	52	62	38
Urea	Urea	24367	19579	17807	17858	24799	20596	21854	13559	22741	26717	21337	23050	18455	19395	17097	16977
Uridine	Uridine	1310	974	776	872	443	326	329	231	361	476	323	325	272	268	256	229
Urocanate	Urocanic acid	321	227	328	290	174	193	161	52	54	28	18	11	6.9000	6	7.1000	4.1000
Val	Valine	1782	1778	2364	2017	1037	1455	1572	412	2834	2207	2769	2910	231	292	284	463
Xanthine	Xanthine			72		103				57							
Xanthopterin	Xanthopterin																
Xanthosine	Xanthosine	19	23	14	18	12	8.9000	8.7000	7.6000	3.9000	2.6000	3.5000	3.6000	4	4.8000		6.9000