Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Gut microbiome structure and metabolic activity in inflammatory bowel disease (Study ST001000)

Reversed phase POSITIVE ION MODE (Analysis AN001881)

Metabolite	Structure	F1	F2	F3
C18:0 LPC	ME272803	1.21	0.23	1.33
C22:0 SM	ME272818	1.05	0.29	1.38
C22:1 SM	ME272820	1.08	0.24	1.32
alpha-Hydroxymetoprolol	ME272791	1.03	0.47	1.34
C14:0 SM	ME272794	1.00	0.45	1.42
C18:0 SM	ME272805	1.12	0.43	1.21
piperine	ME272910	1.15	0.39	1.22
C18:1 LPC	ME272808	1.15	0.43	1.24
C38:5 DAG	ME272852	1.18	0.42	1.23
C18:2 LPC	ME272810	1.11	0.54	1.24
C20:5 LPC	ME272817	1.16	0.56	1.16
C22:4 CE	ME272821	1.20	0.23	0.91
C16:0 CE	ME272795	1.33	0.52	0.96
C16:1 CE	ME272799	1.37	0.39	0.93
C18:0e MAG	ME272806	1.43	0.39	0.95
C18:1 CE	ME272807	1.45	0.37	0.95
C20:4 CE	ME272815	1.45	0.19	1.08
C16:0 LPC	ME272797	1.31	0.25	1.19
C18:2 CE	ME272809	1.28	0.33	1.13
C18:3 LPC	ME272812	1.33	0.33	1.12
linoleoyl ethanolamide	ME272905	1.90	0.22	0.51
sphingosine	ME272911	1.56	0.57	0.66
stearoyl ethanolamide	ME272912	1.44	0.61	0.73
C20:5 CE	ME272816	1.53	0.27	0.83
C16:0 Ceramide (d18:1)	ME272796	1.55	0.38	0.82
C22:6 CE	ME272823	1.59	0.38	0.77
C22:5 CE	ME272822	1.49	0.38	0.59
N-oleoylethanolamine	ME272906	1.69	0.34	0.65
palmitoylethanolamide	ME272909	1.64	0.46	0.64
C36:5 PC plasmalogen-A	ME272850	1.09	0.52	0.99
Palmitoyl glycerol	ME272908	1.17	0.68	1.04
C20:3 CE	ME272814	1.15	0.87	0.92
C44:1 TAG	ME272855	1.19	0.89	0.91
C55:3 TAG	ME272892	1.16	0.98	0.86
C56:1 TAG	ME272893	1.14	0.95	0.91
C18:3 CE	ME272811	1.22	0.78	0.91
epoxysqualene	ME272904	1.28	0.75	0.95
C14:0 CE	ME272793	1.22	0.74	0.79
cholesterol	ME272903	1.33	0.73	0.82
C36:4 PC-B	ME272849	0.52	1.03	1.34
C34:0 PE	ME272833	0.71	0.98	1.31
C50:0 TAG	ME272865	0.78	0.92	1.31
C32:1 PC	ME272830	0.83	0.74	1.37
C32:2 DAG	ME272831	0.79	0.81	1.44
C49:1 TAG	ME272864	0.72	1.20	1.11
C32:0 DAG	ME272829	0.70	1.26	1.15
C34:0 DAG	ME272832	0.70	1.27	1.15
C52:4 TAG	ME272878	0.81	1.24	1.03
C54:5 TAG	ME272886	0.84	1.25	0.99
C54:4 TAG	ME272885	0.85	1.16	1.05
C16:1 MAG	ME272800	0.90	1.13	1.02
C52:3 TAG	ME272877	0.88	1.13	1.04
C48:1 TAG	ME272860	0.94	0.77	1.25
C48:3 TAG	ME272862	0.91	0.73	1.26
C18:0 MAG	ME272804	1.02	0.71	1.18
C36:2 DAG	ME272842	0.99	0.74	1.21
oleamide	ME272907	0.98	0.76	1.20
7-Hexadecenoic acid methyl ester	ME272790	0.98	0.86	1.13
C24:0 TAG	ME272826	0.98	0.89	1.10
C36:3 DAG	ME272845	0.98	0.88	1.11
C48:2 TAG	ME272861	1.00	0.80	1.15
C22:1 MAG	ME272819	1.02	0.83	1.10
C20:0 LPE	ME272813	1.00	0.83	1.12
C24:0 PC	ME272824	1.00	0.82	1.13
C50:2 TAG	ME272867	0.92	0.96	1.13
C56:4 TAG	ME272896	0.89	0.91	1.18
C50:1 TAG	ME272866	0.90	0.92	1.18
C50:3 TAG	ME272868	0.89	0.93	1.18
C51:2 TAG	ME272872	0.94	0.84	1.18
C51:0 TAG	ME272871	0.86	0.85	1.21
C56:5 TAG	ME272897	0.89	0.83	1.23
C36:4 PC-A	ME272848	0.88	1.05	1.08
C46:2 TAG	ME272858	0.89	1.03	1.08
C54:3 TAG	ME272884	0.91	1.02	1.09
C36:4 DAG	ME272847	0.92	1.03	1.07
C54:1 TAG	ME272882	0.91	1.04	1.07
C51:3 TAG	ME272873	0.86	1.05	1.11
C54:2 TAG	ME272883	0.86	1.05	1.11
C34:2 DAG	ME272837	0.89	1.02	1.12
C52:2 TAG	ME272876	0.89	1.02	1.11
C50:4 TAG	ME272869	0.83	1.07	1.14
C34:1 DAG	ME272834	0.87	1.00	1.15
C30:0 DAG	ME272828	0.82	1.00	1.21
C52:0 TAG	ME272874	0.82	1.01	1.19
C52:1 TAG	ME272875	0.83	1.01	1.18
C50:5 TAG	ME272870	0.99	1.08	0.93
C18:0 CE	ME272802	0.96	0.97	1.07
C56:2 TAG	ME272894	1.00	0.91	1.07
C55:2 TAG	ME272891	1.00	0.94	1.05
C56:3 TAG	ME272895	0.99	0.95	1.05
C36:0 DAG	ME272840	1.00	1.01	1.00
C46:1 TAG	ME272857	1.04	0.93	1.00
C53:3 TAG	ME272881	1.02	0.97	1.00
C52:6 TAG	ME272880	0.46	1.59	1.09
cholestenone	ME272902	0.46	1.71	1.10
beta-sitosterol	ME272792	1.02	1.23	0.81
C54:8 TAG	ME272889	0.77	1.65	0.72
C54:9 TAG	ME272890	0.81	1.48	0.75
C34:3 DAG	ME272839	0.70	1.54	0.95
C52:5 TAG	ME272879	0.69	1.52	0.95
C54:6 TAG	ME272887	0.75	1.39	0.98
C54:7 TAG	ME272888	0.86	1.35	0.89
C58:6 TAG	ME272900	0.19	0.35	2.12
C58:7 TAG	ME272901	0.17	0.27	2.57
C48:4 TAG	ME272863	0.57	0.87	1.53
C36:3 PC	ME272846	0.69	0.72	1.59
C48:0 TAG	ME272859	0.57	0.82	1.63
C44:0 TAG	ME272854	0.58	0.76	1.62
C56:6 TAG	ME272898	0.58	0.76	1.67
C34:2 PC	ME272838	0.56	0.73	1.73
C56:7 TAG	ME272899	0.51	0.82	1.75
C46:0 TAG	ME272856	0.42	0.61	1.88
C36:5 PC plasmalogen-B	ME272851	0.54	0.39	1.61
C36:2 PC	ME272843	0.58	0.46	1.89
C34:1 PC	ME272835	0.66	0.46	1.80
C36:1 PC	ME272841	0.66	0.47	1.77
C36:2 PC plasmalogen	ME272844	0.58	0.12	1.42
C34:1 PC plasmalogen-A	ME272836	0.65	0.15	1.92
C16:0 SM	ME272798	0.95	0.17	1.67
C24:0 SM	ME272825	0.94	0.20	1.53
C24:1 SM	ME272827	0.83	0.11	1.78
C16:1 SM	ME272801	0.87	0.27	1.77
C42:0 TAG	ME272853	0.76	0.37	1.74

Factors:

F1	Diagnosis:CD
F2	Diagnosis:Control
F3	Diagnosis:UC

Data matrix