Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolome analysis of the cecal contents of GF mice and GF mice colonized with dominant gut microbes present in the ceca of neonatal and adult mice (Study ST000570)

CE POSITIVE ION MODE (Analysis AN000877)

Metabolite	Structure	F1	F2	F3	F4
Methanesulfonate	ME168892	NA	1.07	NA	0.78
Lactate	ME168889	0.16	2.29	0.13	1.09
2-Hydroxyglutarate	ME168938	0.76	2.10	0.12	0.44
2-Hydroxybutyrate	ME168937	0.28	1.65	0.62	1.02
3-Methylbutanoate	ME168952	0.75	1.71	0.37	0.90
Citramalate	ME168863	0.86	1.66	0.32	0.86
Glycerate	ME168879	0.91	1.58	0.53	0.74
4-Oxopentanoate	ME168961	0.75	1.64	0.60	0.80
Phthalate	ME168910	0.67	1.76	0.65	0.73
Carbamoylaspartate	ME168859	0.76	1.95	0.82	0.82
Malonate	ME168891	0.52	1.96	0.63	0.67
Pentanoate	ME168908	0.61	1.99	0.43	0.65
Nicotinate	ME168904	NA	1.51	0.15	NA
Glycolate	ME168881	0.28	1.84	NA	0.31
3PG	ME168953	0.14	1.86	NA	NA
Acetyl CoA	ME168853	0.11	1.89	NA	NA
S7P	ME168918	0.23	1.77	NA	NA
UMP	ME168931	0.24	1.76	NA	NA
F6P	ME168871	0.14	1.69	NA	NA
N-Acetylglucosamine 1-phosphate	ME168897	0.05	1.76	NA	NA
O-Phosphoserine	ME168906	0.41	1.44	NA	NA
N-Acetylglucosamine 6-phosphate	ME168898	0.34	1.66	NA	NA
UDP	ME168928	0.40	1.60	NA	NA
G6P	ME168874	0.19	2.40	0.02	NA
ADP	ME168855	0.34	1.96	0.23	NA
CMP	ME168865	0.32	2.15	0.22	NA
Glycerophosphate	ME168880	0.39	2.39	0.52	0.38
N-Acetylglutamate	ME168899	0.31	2.54	0.31	0.46
Cysteate	ME168866	0.35	2.76	0.15	0.25
Azelate	ME168857	0.21	2.87	0.23	0.23
Sebacate	ME168920	0.19	2.92	0.21	0.20
2,5-Dihydroxybenzoate	ME168935	0.19	3.02	NA	NA
N-Acetylaspartate	ME168895	0.15	3.05	0.05	0.21
3-Indoxyl sulfate	ME168951	0.42	1.25	1.42	NA
Cholate	ME168860	0.90	1.08	NA	NA
Propionate	ME168914	1.33	0.92	0.75	NA
Cysteine S-sulfate	ME168867	0.17	0.07	1.61	2.52
Taurocholate	ME168923	0.30	0.39	2.00	1.89
3-Hydroxy-3-methylglutarate	ME168948	1.82	0.23	0.21	1.52
Isethionate	ME168885	0.63	0.63	0.25	2.50
Isocitrate	ME168887	0.65	0.46	0.41	2.56
2-Oxoisopentanoate	ME168945	0.30	0.50	0.30	2.66
4-Methyl-2-oxopentanoate	ME168959	0.37	0.47	0.29	2.36
Mucate	ME168894	1.24	0.21	0.31	1.99
cis-Aconitate	ME168861	0.94	0.33	0.34	2.41
Citrate	ME168864	0.98	0.33	0.38	2.33
2-Oxoglutarate	ME168944	1.03	0.45	0.16	2.15
trans-Aconitate	ME168927	0.82	0.56	0.12	2.18
Urate	ME168932	0.97	0.69	0.14	2.07
3-Ureidopropionate	ME168956	0.63	0.72	0.30	2.07
Adipate	ME168854	0.89	0.68	0.41	1.98
Pyruvate	ME168915	0.37	1.00	0.84	1.51
4-Acetylbutyrate	ME168957	0.83	1.20	0.94	1.01
2-Hydroxypentanoate	ME168940	1.06	1.12	0.69	1.00
Methyl sulfate	ME168893	1.14	0.83	0.78	1.20
Orotate	ME168907	1.04	0.99	0.78	1.13
5-Oxoproline	ME168962	1.41	0.61	0.57	1.30
Threonate	ME168925	1.25	0.70	0.61	1.35
Citraconate	ME168862	0.78	0.86	0.72	1.67
Glutarate	ME168878	0.84	0.81	0.56	1.77
2,3-Pyridinedicarboxylate	ME168934	1.01	0.76	0.79	1.44
3-Hydroxybutyrate	ME168949	0.94	0.98	0.55	1.44
Itaconate	ME168888	1.07	1.28	NA	0.56
Quinate	ME168916	0.88	1.10	NA	1.02
Pimelate	ME168913	0.84	1.16	0.20	1.60
2-Isopropylmalate	ME168942	0.92	0.76	NA	1.40
2-Hydroxyisobutyrate	ME168939	0.65	0.74	NA	1.46
Hippurate	ME168882	0.75	0.69	NA	1.34
2-Oxoadipate	ME168943	0.15	NA	0.10	2.07
Glucuronate	ME168877	0.15	0.26	NA	1.58
Gluconate	ME168875	1.24	0.09	0.05	1.17
Shikimate	ME168921	1.06	0.37	NA	1.09
2-Hydroxyphenylacetate	ME168941	0.79	NA	NA	1.05
Phenylpyruvate	ME168909	0.35	NA	NA	1.16
Saccharate	ME168919	0.64	NA	NA	1.45
Malate	ME168890	2.16	0.42	0.63	0.55
Succinate	ME168922	2.48	0.41	0.54	0.23
3-Phenylpropionate	ME168955	1.03	0.08	1.12	1.57
N-Acetyl-beta-alanine	ME168896	0.98	0.24	1.92	1.29
Terephthalate	ME168924	0.95	0.77	2.01	0.59
trans-4-Hydroxy-3-methoxycinnamate	ME168926	1.09	0.80	1.44	0.71
Fumarate	ME168872	1.76	0.58	1.34	0.21
3-(2-Hydroxyphenyl)propionate	ME168946	1.74	0.19	1.51	0.71
3-Phenyllactate	ME168954	1.66	0.29	1.19	0.91

Factors:

F1	colonized bacteria:Bacteroides acidifaciens
F2	colonized bacteria:Clostridia
F3	colonized bacteria:Esherichia coli
F4	colonized bacteria:none (GF)

Data matrix