Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003888)

HILIC NEGATIVE ION MODE (Analysis AN006387)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8
3-Cresotinic acid_C13-label-3	ME1027667	0.97	1.16	0.85	0.98	1.26	0.73	1.06	1.01
4-Hydroxybenzaldehyde_C13-label-3	ME1027686	1.24	1.15	0.96	0.80	0.93	1.00	0.85	1.06
3-Hydroxybutyrate_C13-label-1	ME1027671	0.60	0.56	1.14	0.75	0.92	0.78	1.42	1.77
Arginine_C13-label-1	ME1027731	0.80	0.52	0.80	0.90	1.84	1.02	0.82	1.16
Anserine_C13-label-3	ME1027729	1.06	0.94	1.01	0.75	0.91	1.11	1.61	0.63
3-Cresotinic acid_C12 PARENT	ME1027669	1.34	0.75	1.15	0.89	0.71	0.86	1.50	0.98
4-Hydroxybenzaldehyde_C12 PARENT	ME1027685	0.53	1.02	1.10	1.12	0.97	1.06	1.11	1.01
4-Hydroxybenzaldehyde_C13-label-2	ME1027687	1.05	0.98	0.59	1.21	0.90	1.19	0.64	1.19
4-Pyridoxic acid_C12 PARENT	ME1027689	0.93	0.83	0.97	0.84	2.37	0.56	0.86	0.62
2-Phosphoglycerate_C13-label-3	ME1027665	1.54	1.53	0.28	1.02	1.06	0.69	1.40	0.28
2-Deoxyuridine_C12 PARENT	ME1027650	1.10	0.86	0.85	1.40	0.96	0.80	0.76	1.39
3-Cresotinic acid_C13-label-1	ME1027668	1.09	0.94	0.90	0.69	1.11	0.92	0.99	1.30
3-Methyl-2-oxovalerate_C12 PARENT	ME1027675	0.70	1.13	0.79	0.86	0.98	0.76	1.47	1.26
Asparagine_C13-label-1	ME1027732	1.15	0.96	1.00	1.03	0.91	1.17	0.85	0.93
Aspartate_C13-label-2	ME1027737	1.02	1.13	1.02	1.21	1.33	0.89	0.68	0.76
5-Deoxy-5-(methylthio)adenosine_C12 PARENT	ME1027691	1.05	1.08	1.34	0.85	0.62	0.65	1.56	1.00
ADP_C13-label-2	ME1027708	1.52	1.48	0.33	0.83	0.96	1.26	1.00	0.59
Acetylcholine_C13-label-1	ME1027695	1.04	0.75	0.87	0.95	0.67	1.70	1.14	0.76
Alpha-Ketoglutarate_C12 PARENT	ME1027723	0.80	0.97	1.41	1.09	0.59	0.65	1.09	1.48
Aconitate_C13-label-3	ME1027698	0.81	0.87	1.06	0.97	1.04	1.01	1.57	0.70
Adenosine_C12 PARENT	ME1027704	0.75	1.30	0.35	1.01	0.75	0.89	2.01	0.94
Alanine_C13-label-2	ME1027719	0.72	1.04	1.62	0.51	0.53	1.09	1.64	0.79
ADP-ribose_C12 PARENT	ME1027712	1.65	1.78	0.35	0.66	1.12	1.24	0.86	0.29
ADP-ribose_C13-label-2	ME1027713	1.69	1.34	0.37	0.43	1.05	1.02	0.78	0.46
Aconitate_C13-label-2	ME1027697	0.60	0.77	1.53	1.47	0.71	0.87	1.26	0.94
3-Methoxytyramine_C12 PARENT	ME1027673	0.67	1.05	0.86	0.81	1.36	0.81	0.87	1.42
Aspartate_C13-label-1	ME1027736	1.08	0.86	1.00	1.12	0.72	0.94	0.97	1.37
2-Ketoisovalerate_C12 PARENT	ME1027660	0.83	1.09	0.94	0.88	1.12	0.90	1.11	1.08
Adenine_C13-label-1	ME1027703	0.57	1.60	0.50	0.96	0.77	1.05	1.64	0.80
2-Deoxyuridine_C13-label-1	ME1027651	0.67	1.13	0.96	0.95	1.39	0.79	0.57	1.40
Anserine_C13-label-2	ME1027728	0.98	1.35	0.97	0.82	0.58	1.32	0.97	0.90
2-Hydroxypyridine_C12 PARENT	ME1027659	1.00	0.70	0.85	1.21	1.13	0.83	0.91	1.43
Anserine_C13-label-1	ME1027727	0.47	1.01	1.77	1.56	1.40	0.30	1.14	0.58
4-Pyridoxic acid_C13-label-1	ME1027690	0.70	1.03	0.71	0.99	2.02	0.71	0.90	0.58
2-Hydroxy-4-(methylthio)butyrate_C12 PARENT	ME1027655	1.62	1.13	0.51	0.77	0.70	1.34	1.21	0.75
ADP_C13-label-1	ME1027707	1.40	1.64	0.41	0.81	0.97	1.25	0.83	0.59
2-Phosphoglycerate_C12 PARENT	ME1027666	1.50	2.26	0.35	0.74	0.38	1.16	0.93	0.64
4-Hydroxybenzaldehyde_C13-label-1	ME1027684	0.72	1.03	1.09	1.08	1.05	1.03	0.79	1.13
4-Aminobutyrate (GABA)_C12 PARENT	ME1027681	0.83	1.09	1.09	1.14	0.79	1.06	1.33	0.71
2-Ketoisovalerate_C13-label-1	ME1027661	0.87	0.88	0.81	0.78	1.24	1.00	1.15	1.15
Acetylcholine_C12 PARENT	ME1027696	0.81	1.29	0.87	0.61	0.75	1.58	0.93	0.89
ADP_C12 PARENT	ME1027710	1.16	1.72	0.43	1.07	0.45	1.16	1.32	0.69
2-Hydroxybutyrate_C12 PARENT	ME1027658	0.84	1.27	1.50	0.36	0.83	1.18	1.13	0.72
2-methylcitrate_C12 PARENT	ME1027663	0.75	1.38	0.65	1.24	0.93	1.09	0.86	1.02
2-Hydroxybutyrate_C13-label-1	ME1027657	0.55	1.24	1.41	0.60	0.77	1.55	1.04	0.59
Aspartate_C13-label-3	ME1027735	0.82	0.93	0.95	0.63	1.54	1.00	0.71	1.22
Alanine_C12 PARENT	ME1027717	1.10	1.16	0.91	0.90	0.95	1.02	1.04	0.90
ATP_C12 PARENT	ME1027743	0.85	1.42	0.62	0.95	0.82	1.30	1.22	0.70
Anserine_C12 PARENT	ME1027726	1.09	1.13	0.93	0.86	0.84	1.17	0.98	0.96
3-Methyl-2-oxovalerate_C13-label-2	ME1027676	0.56	1.13	0.73	0.62	1.66	0.74	1.30	1.17
ADP_C13-label-3	ME1027709	0.56	1.47	0.64	0.65	1.75	0.80	0.62	1.02
ADP-ribose_C13-label-1	ME1027711	1.92	1.63	0.30	0.42	1.18	1.09	1.13	0.31
2-Aminoisobutyrate_C12 PARENT	ME1027645	0.66	0.87	0.89	0.57	0.94	1.79	1.25	0.71
ADP-ribose_C13-label-3	ME1027714	NA	1.07	NA	NA	0.87	1.09	0.99	NA
Allantoin_C12 PARENT	ME1027720	0.88	0.94	1.19	0.71	1.22	0.76	1.26	1.03
Alanine_C13-label-3	ME1027718	0.89	1.09	1.34	0.99	0.67	1.02	0.94	1.06
2-methylcitrate_C13-label-1	ME1027662	0.87	1.08	0.80	1.22	0.96	1.02	0.93	1.09
Alpha-Ketoglutarate_C13-label-2	ME1027722	0.64	0.62	1.64	1.21	0.46	0.64	1.97	1.06
Arginine_C12 PARENT	ME1027730	0.89	0.57	0.96	0.99	1.97	0.72	0.71	1.15
Alpha-Ketoglutarate_C13-label-1	ME1027724	0.65	0.95	1.28	1.06	0.76	0.66	1.61	1.13
Alpha-Ketoglutarate_C13-label-3	ME1027725	0.53	0.70	0.92	0.87	0.45	1.02	2.20	1.04
Alanine_C13-label-1	ME1027716	0.99	0.91	1.11	0.97	1.16	0.83	1.21	0.90
Aconitate_C13-label-4	ME1027701	1.06	1.04	1.76	0.38	1.15	0.93	0.66	1.02
Adenine_C12 PARENT	ME1027702	0.52	1.61	0.55	0.95	0.69	1.01	1.78	0.79
Allantoin_C13-label-1	ME1027721	0.82	0.58	1.17	0.80	1.33	1.17	1.06	0.98
2-Deoxyguanosine_C12 PARENT	ME1027647	0.40	0.94	1.35	2.24	0.75	0.71	1.33	0.59
3-Hydroxybutyrate_C12 PARENT	ME1027672	0.90	0.57	1.14	0.94	1.13	0.91	1.36	1.08
4-Guanidinobutyrate_C13-label-3	ME1027683	NA	1.01	0.86	1.37	NA	0.91	NA	NA
Asparagine_C12 PARENT	ME1027734	0.95	1.11	1.04	1.03	0.62	1.15	1.01	1.06
Aspartate_C12 PARENT	ME1027739	0.53	1.52	1.18	1.09	0.89	1.04	1.13	0.55
3-Cresotinic acid_C13-label-2	ME1027670	1.02	1.05	0.74	0.75	1.30	0.83	1.02	1.16
2-Deoxyuridine_C13-label-3	ME1027653	0.82	1.07	0.67	0.99	1.47	0.76	NA	0.90
3-Phosphoglycerate_C13-label-1	ME1027680	1.07	1.47	0.73	0.78	0.72	1.51	0.77	0.60
Acetyl-arginine_C12 PARENT	ME1027693	0.74	0.71	0.63	1.10	1.42	1.06	0.99	1.23
Aconitate_C13-label-1	ME1027699	0.69	1.00	1.15	1.03	0.70	0.99	1.35	1.08
3-Phosphoglycerate_C12 PARENT	ME1027679	0.74	1.60	0.64	0.92	0.68	1.41	0.90	0.89
2-Phosphoglycerate_C13-label-1	ME1027664	1.09	1.92	0.46	0.66	0.54	1.40	0.98	0.60
4-Guanidinobutyrate_C12 PARENT	ME1027682	0.84	0.53	0.88	1.00	0.67	1.05	1.46	1.58
3-Methyl-2-oxovalerate_C13-label-1	ME1027677	0.79	0.96	0.71	0.80	1.12	0.93	1.23	1.34
2-Deoxy-D-glucose_C12 PARENT	ME1027646	1.04	1.08	0.71	1.06	1.03	0.84	1.00	1.25
2-Deoxyuridine_C13-label-2	ME1027652	1.21	0.70	1.20	1.19	1.38	0.73	0.86	0.91
2-Deoxyuridine_C13-label-5	ME1027649	0.56	1.08	0.57	1.69	1.02	0.98	0.97	1.12
4-Hydroxybenzaldehyde_C13-label-4	ME1027688	1.42	1.11	0.98	1.17	0.73	1.34	0.53	0.76
5-Deoxy-5-(methylthio)adenosine_C13-label-5	ME1027692	0.52	1.42	0.84	0.83	1.26	0.71	1.09	0.96
Aconitate_C12 PARENT	ME1027700	0.85	0.98	1.49	0.70	0.86	0.87	1.34	0.92

Factors:

F1	Diet:Control \| \| Genotype:KP
F2	Diet:Control \| \| Genotype:PGKP
F3	Diet:Control \| \| Genotype:PolG
F4	Diet:Control \| \| Genotype:wt
F5	Diet:Ser/Gly free \| \| Genotype:KP
F6	Diet:Ser/Gly free \| \| Genotype:PGKP
F7	Diet:Ser/Gly free \| \| Genotype:PolG
F8	Diet:Ser/Gly free \| \| Genotype:wt

Data matrix