Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002149)

(Analysis AN003519)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
1-dihomo-linoleoylglycerol (20:2)	ME524932	0.14	2.14	0.18	0.15	0.33	2.27
1-(1-enyl-oleoyl)-GPE (P-18:1)*	ME524914	0.49	4.34	0.25	0.24	0.35	0.33
1-carboxyethylvaline	ME524930	NA	1.88	NA	0.16	0.31	0.18
3-hydroxyhexanoate	ME525065	0.80	2.88	0.18	NA	0.62	0.42
3-hydroxyoctanoate	ME525068	0.99	1.41	0.99	0.57	0.92	0.66
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)*	ME524970	0.59	4.52	0.25	0.22	0.24	0.19
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	ME524981	0.51	4.64	0.25	0.19	0.18	0.22
2^-deoxyinosine	ME525017	1.60	1.54	0.29	1.66	0.55	0.35
3-(4-hydroxyphenyl)propionate	ME525058	NA	0.01	NA	NA	0.55	1.58
2-stearoyl-GPE (18:0)*	ME525052	0.44	4.38	0.25	0.46	0.22	0.25
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2)*	ME524974	0.60	1.13	0.34	0.35	2.75	0.45
1-oleoyl-GPG (18:1)*	ME524963	0.40	1.39	0.31	NA	1.42	0.35
2-arachidonoylglycerol (20:4)	ME525027	0.04	1.62	NA	0.08	0.03	0.11
2^-deoxyguanosine	ME525016	1.82	1.13	0.29	1.95	0.45	0.37
2-docosahexaenoylglycerol (22:6)*	ME525029	0.17	1.17	NA	0.20	1.28	1.64
2-keto-3-deoxy-gluconate	ME525041	0.86	0.57	0.94	1.08	1.64	0.90
3,4-dihydroxyphenylacetate sulfate	ME525055	0.66	0.67	0.67	0.76	1.79	1.33
3-hydroxybehenate*	ME525062	0.91	1.80	0.74	1.21	0.67	0.56
2-aminoadipate	ME525025	0.41	2.42	0.77	0.51	0.46	0.65
1-palmitoyl-GPG (16:0)*	ME524985	0.82	2.01	0.55	0.45	1.24	0.93
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	ME524994	0.46	4.62	0.18	0.21	0.11	0.22
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	ME524995	0.42	4.48	0.33	0.35	0.17	0.25
3-(3-amino-3-carboxypropyl)uridine*	ME525056	0.60	0.85	1.45	0.70	1.34	1.06
3-hydroxysebacate	ME525070	0.97	0.58	0.95	1.17	1.12	1.21
1-palmitoyl-GPE (16:0)	ME524984	0.81	2.48	0.63	0.65	0.68	0.75
2-methylcitrate/homocitrate	ME525044	1.02	1.34	0.31	NA	0.74	0.54
3-hydroxystachydrine*	ME525071	0.78	0.53	1.02	0.97	1.42	1.28
3-hydroxysuberate	ME525072	0.84	0.59	0.97	1.08	1.21	1.31
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*	ME524958	0.44	2.05	0.31	NA	0.41	0.29
3-hydroxybutyrate (BHBA)	ME525063	0.58	2.31	1.63	0.32	0.73	0.43
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	ME524960	0.45	3.92	0.45	0.41	0.33	0.45
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	ME524967	0.87	4.42	0.19	0.18	0.13	0.20
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	ME524972	0.41	1.97	0.28	NA	NA	1.05
3,4-dihydroxybutyrate	ME525054	0.90	1.22	0.91	1.02	1.18	0.78
3-hydroxyisobutyrate	ME525066	0.46	1.08	0.41	0.54	0.90	2.54
2-hydroxyheptanoate*	ME525037	1.63	3.04	0.25	0.23	0.52	0.32
2-hydroxybehenate	ME525034	1.26	1.33	1.01	0.96	0.67	0.68
2-hydroxybutyrate/2-hydroxyisobutyrate	ME525035	0.55	2.85	0.89	0.06	0.91	0.74
1-ribosyl-imidazoleacetate*	ME524988	0.74	1.08	0.59	0.88	1.24	1.47
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	ME524976	0.53	3.61	0.50	0.51	0.37	0.49
2,4-dihydroxybutyrate	ME525023	1.64	1.84	0.45	0.38	1.01	0.69
3-(4-hydroxyphenyl)lactate	ME525057	0.24	0.18	0.11	0.01	1.69	3.77
1-palmitoylglycerol (16:0)	ME524987	0.32	1.40	0.33	0.37	0.74	2.84
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	ME524991	0.91	3.63	0.38	0.42	0.22	0.34
1-lignoceroyl-GPC (24:0)	ME524936	0.81	1.61	0.75	0.93	0.94	0.94
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	ME524924	0.40	4.28	0.14	0.10	0.05	0.12
1-carboxyethylleucine	ME524928	0.29	1.71	NA	NA	0.41	0.17
1-oleoyl-GPC (18:1)	ME524961	0.84	1.75	0.71	0.66	1.07	0.96
2^-deoxyadenosine	ME525013	0.72	1.00	1.66	1.12	0.96	0.55
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*	ME524980	0.93	1.92	0.93	0.89	0.68	0.64
2-linoleoylglycerol (18:2)	ME525042	0.03	0.70	0.09	0.09	0.47	4.62
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	ME524968	0.31	1.76	0.11	NA	NA	0.24
1-oleoyl-GPE (18:1)	ME524962	0.64	3.18	0.54	0.44	0.59	0.61
1-stearoyl-GPE (18:0)	ME525001	0.67	3.04	0.53	0.64	0.49	0.63
2-heptadecenoylglycerol (17:1)*	ME525030	NA	0.58	0.13	0.13	0.98	3.28
2-methylbutyrylcarnitine (C5)	ME525043	1.18	1.99	0.25	0.96	0.93	0.68
2-hydroxyarachidate*	ME525033	1.19	1.25	1.12	0.98	0.70	0.75
1-stearoyl-GPI (18:0)	ME525003	0.64	2.10	0.75	0.68	0.73	1.07
1-stearoyl-GPS (18:0)*	ME525004	0.55	3.67	0.39	0.47	0.41	0.52
1-oleoylglycerol (18:1)	ME524965	0.17	0.31	0.17	0.10	0.39	4.86
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	ME524969	0.78	2.77	0.64	0.64	0.51	0.60
1-palmitoyl-GPC (16:0)	ME524983	0.95	2.42	0.55	0.61	0.76	0.71
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	ME524982	0.59	3.13	0.41	0.31	0.23	0.31
2,3-dihydroxy-2-methylbutyrate	ME525021	0.21	0.11	0.32	0.11	4.92	0.11
3-hydroxypyridine sulfate	ME525069	0.99	1.24	0.58	0.62	0.97	1.23
2-myristoylglycerol (14:0)	ME525045	0.22	1.44	0.30	0.43	0.72	2.86
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	ME524977	0.99	1.72	0.87	0.95	0.71	0.75
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	ME524978	0.52	4.52	0.26	0.24	0.23	0.23
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	ME524941	0.85	1.53	0.78	0.96	0.94	0.93
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*	ME524906	1.03	0.85	0.86	1.07	1.11	1.07
1,2-dipalmitoyl-GPC (16:0/16:0)	ME524912	0.88	3.30	0.46	0.52	0.37	0.48
10-heptadecenoate (17:1n7)	ME525006	0.41	2.20	0.32	0.39	0.73	1.95
1-methyladenine	ME524950	0.07	0.91	0.87	0.07	2.44	1.64
1-dihomo-linolenylglycerol (20:3)	ME524931	0.07	1.96	0.05	0.04	0.26	1.77
1-linoleoylglycerol (18:2)	ME524946	0.24	0.38	0.20	0.09	0.79	4.30
1,2-dilinoleoyl-GPC (18:2/18:2)	ME524908	0.80	1.86	0.75	0.84	0.89	0.87
(16 or 17)-methylstearate (a19:0 or i19:0)	ME524901	0.54	1.72	0.43	0.69	0.78	1.84
1-stearoyl-GPC (18:0)	ME525000	0.74	3.47	0.35	0.46	0.46	0.52
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*	ME524905	0.85	1.04	1.02	0.82	1.13	1.07
1-arachidonylglycerol (20:4)	ME524927	0.06	2.30	0.06	0.05	0.20	0.98
1-linolenoylglycerol (18:3)	ME524938	0.11	0.10	0.09	0.07	0.24	5.39
1-methylhypoxanthine	ME524955	0.01	0.72	1.56	NA	0.80	1.29
1,1-kestotetraose	ME524904	0.95	0.58	1.22	1.30	0.90	1.02
1-heptadecenoylglycerol (17:1)*	ME524934	0.09	0.76	0.17	0.12	0.44	5.31
1-methyl-4-imidazoleacetate	ME524948	1.14	2.02	0.55	0.75	0.79	0.75
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	ME524917	0.33	4.31	0.10	0.09	0.08	0.07
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	ME524918	0.33	3.52	0.11	0.11	0.06	0.09
18-methylnonadecanoate (i20:0)	ME525012	0.68	1.92	0.50	0.93	0.79	1.18
1-kestose	ME524935	1.10	0.47	1.32	1.42	0.01	1.18
1-linoleoyl-GPE (18:2)*	ME524943	0.88	1.22	0.78	0.87	1.08	1.17
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*	ME524915	0.41	3.77	0.10	0.12	0.08	0.07
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*	ME524907	1.11	1.25	0.97	0.67	1.16	0.85
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	ME524916	0.56	4.59	0.17	0.14	0.07	0.12
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	ME524923	0.76	3.77	0.36	0.32	0.37	0.43
1-linoleoyl-GPG (18:2)*	ME524944	0.16	2.41	0.10	NA	0.22	0.24
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	ME524919	0.34	4.27	0.12	0.10	0.08	0.08
1-myristoylglycerol (14:0)	ME524957	0.36	1.25	0.31	0.52	0.77	2.78
12,13-DiHOME	ME525009	0.62	2.67	0.50	0.46	0.73	1.02
1,2-dioleoyl-GPC (18:1/18:1)	ME524910	0.57	3.04	0.63	0.38	0.75	0.63
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	ME524996	0.76	3.68	0.55	0.48	0.27	0.27
1-(1-enyl-stearoyl)-GPE (P-18:0)*	ME524926	0.54	3.87	0.35	0.32	0.49	0.44
1-linolenoyl-GPC (18:3)*	ME524937	0.98	1.13	0.77	0.79	1.09	1.19
1-methylguanine	ME524952	NA	0.30	1.07	NA	0.94	1.34
2-hydroxypalmitate	ME525039	0.62	3.06	0.44	0.57	0.56	0.75
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/18:3)*	ME524940	1.04	1.04	0.98	0.65	1.26	1.07
1-linoleoyl-GPC (18:2)	ME524942	0.90	1.08	0.75	0.85	1.21	1.21
(14 or 15)-methylpalmitate (a17:0 or i17:0)	ME524900	0.47	1.75	0.36	0.55	0.71	2.16
1-methylhistamine	ME524953	0.54	1.06	0.32	0.30	1.23	1.55
1-(1-enyl-palmitoyl)-GPC (P-16:0)*	ME524922	0.62	3.32	0.26	0.38	0.55	0.50
1-margaroylglycerol (17:0)	ME524947	0.44	1.75	0.50	0.56	0.79	1.91
2-hydroxynervonate*	ME525038	1.27	0.90	0.99	0.85	0.97	1.01
2^-O-methylcytidine	ME525019	0.81	2.10	0.17	0.93	NA	NA
2-palmitoleoylglycerol (16:1)*	ME525049	0.04	0.57	0.07	0.10	0.48	4.17
1-palmitoyl-GPI (16:0)	ME524986	0.60	1.80	0.66	1.00	0.92	1.01
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	ME524999	0.36	3.84	0.11	0.11	0.08	0.08
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	ME524975	0.60	4.22	0.29	0.31	0.27	0.30
1-docosahexaenoylglycerol (22:6)	ME524933	0.39	0.63	0.30	0.33	0.62	3.73
1,2-dilinoleoyl-GPE (18:2/18:2)*	ME524909	0.70	2.12	0.86	0.78	0.75	0.79
3-formylindole	ME525060	0.92	1.51	0.58	0.52	1.19	1.27
1-methyl-5-imidazoleacetate	ME524949	1.27	1.11	1.05	0.89	0.90	0.78
1-methylhistidine	ME524954	0.11	1.39	0.07	NA	NA	NA
2-palmitoyl-GPC (16:0)*	ME525050	0.50	3.21	0.33	0.34	0.31	0.41
3-hydroxylaurate	ME525067	1.24	1.02	1.10	0.58	1.11	0.94
10-hydroxystearate	ME525007	NA	2.54	0.70	0.02	0.36	0.05
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2)*	ME524973	1.01	0.79	0.82	1.07	1.15	1.17
2-dihomo-linoleoylglycerol (20:2)*	ME525028	NA	0.95	0.08	0.06	0.77	1.81
(12 or 13)-methylmyristate (a15:0 or i15:0)	ME524899	0.65	1.26	0.57	0.66	0.80	2.05
2-aminobutyrate	ME525026	1.43	3.55	0.22	0.07	0.35	0.17
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:2/18:3)*	ME524939	0.91	1.08	0.83	1.00	1.12	1.09
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	ME524925	0.19	1.99	0.12	0.04	NA	NA
13-HODE + 9-HODE	ME525010	0.76	1.13	0.80	0.71	1.04	1.56
2-oxindole-3-acetate	ME525047	0.92	0.44	0.81	1.00	1.85	0.98
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	ME524959	0.75	2.76	0.55	0.62	0.66	0.66
2^-O-methyluridine	ME525020	0.90	1.56	0.19	1.15	NA	NA
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	ME524920	0.42	4.29	0.18	0.12	0.05	0.07
1-methylguanidine	ME524951	0.99	0.67	0.98	1.19	1.18	0.99
1,5-anhydroglucitol (1,5-AG)	ME524913	0.57	0.59	NA	0.28	1.39	1.44
16-hydroxypalmitate	ME525011	0.85	1.53	0.70	0.65	0.93	1.33
2-palmitoylglycerol (16:0)	ME525051	0.30	1.39	0.37	0.51	0.64	2.79
10-nonadecenoate (19:1n9)	ME525008	0.39	1.96	0.32	0.51	0.58	2.23
1,2-dioleoyl-GPE (18:1/18:1)	ME524911	0.36	4.34	0.43	0.27	0.14	0.36
1-linoleoyl-GPI (18:2)*	ME524945	0.32	1.31	0.68	0.43	1.16	1.14
2-hydroxystearate	ME525040	0.70	2.62	0.56	0.74	0.68	0.70
2-oleoylglycerol (18:1)	ME525046	0.05	0.60	0.11	0.09	0.49	4.68
1-palmitoleoylglycerol (16:1)*	ME524966	0.05	0.70	0.11	0.10	0.55	4.49
2^-deoxycytidine 5^-monophosphate	ME525015	0.05	2.15	NA	NA	0.04	0.24
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	ME524993	0.57	3.20	0.30	0.32	0.19	0.58
1-stearoylglycerol (18:0)	ME525005	0.28	0.81	0.33	0.17	0.30	3.75
1-methylnicotinamide	ME524956	0.44	0.97	2.15	0.55	1.16	0.73
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	ME524998	0.42	5.06	0.16	0.14	0.09	0.13
2-oxoarginine*	ME525048	1.08	0.58	1.23	1.09	1.01	1.00
3-hydroxydodecanedioate*	ME525064	0.94	0.63	0.96	1.06	1.31	1.10
2,6-dihydroxybenzoic acid	ME525024	0.56	1.58	0.67	0.37	1.00	0.74
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	ME524989	0.59	4.83	0.14	0.13	0.06	0.25
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	ME524992	0.43	4.05	0.25	0.13	0.15	0.43
2-hydroxy-3-methylvalerate	ME525031	0.12	1.34	2.65	NA	0.38	0.51
3-amino-2-piperidone	ME525059	0.83	1.20	1.29	0.96	0.79	0.78
2^-deoxycytidine	ME525014	0.74	2.10	0.25	1.94	0.52	0.46
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	ME524971	0.77	2.88	0.68	0.46	0.55	0.65
1-stearoyl-2-linoleoyl-GPS (18:0/18:2)	ME524997	0.46	3.36	0.46	0.79	0.19	0.37
2-hydroxyglutarate	ME525036	0.48	2.91	0.20	NA	0.13	0.09
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	ME524990	0.55	4.63	0.23	0.23	0.09	0.26
2R,3R-dihydroxybutyrate	ME525053	0.86	2.28	0.40	0.34	1.46	0.66
3-hydroxy-3-methylglutarate	ME525061	1.23	1.33	0.54	1.18	0.95	0.76
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	ME524979	0.30	3.67	0.31	0.16	0.10	0.11
2-hydroxyadipate	ME525032	1.05	1.02	0.67	1.29	1.00	0.97
2,3-dihydroxyisovalerate	ME525022	0.22	0.39	NA	0.23	1.34	0.42
2^-deoxyuridine	ME525018	2.19	2.58	0.19	0.62	0.30	0.12
1-oleoyl-GPI (18:1)	ME524964	0.32	1.82	0.91	0.52	1.33	0.99
1-stearoyl-GPG (18:0)	ME525002	0.22	3.51	0.16	0.15	0.33	0.24

Factors:

F1	Treatment:C. difficile monocolonized
F2	Treatment:C. sardiniense + C. difficile co-colonized
F3	Treatment:C. sardiniense monocolonized
F4	Treatment:Germfree
F5	Treatment:P. bifermentans + C. difficile co-colonized
F6	Treatment:P. bifermentans monocolonized

Data matrix