Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002926)

HILIC NEGATIVE ION MODE (Analysis AN004799)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
Apiole	ME760249	1.05	1.05	1.09	0.99	1.04	0.93	1.05	0.99	0.99	0.91	1.04	0.87
2-Oxobutanoate	ME760378	0.84	0.80	1.04	0.83	1.02	0.63	1.32	1.24	0.92	0.90	1.15	1.31
Ala-Val-Asp-Ser	ME760276	1.31	1.01	1.29	1.58	0.79	0.70	0.77	1.06	0.81	0.79	0.96	0.94
3-Phospho-D-glycerate	ME760345	1.27	1.03	0.75	0.79	1.77	1.05	0.64	0.88	1.43	0.96	0.88	0.54
5-Oxoproline	ME760397	0.74	1.12	0.94	0.88	1.10	1.15	0.91	1.15	0.85	1.23	1.13	0.81
3,4-Dihydroxymandelaldehyde	ME760442	0.89	0.69	1.02	0.51	1.52	1.00	1.15	0.84	1.02	1.23	1.32	0.82
Asp-Asp-Gly	ME760226	1.24	0.90	1.06	0.87	1.17	0.85	0.77	0.94	1.06	0.99	1.02	1.13
cis-Aconitate	ME760419	0.92	0.83	0.98	0.87	1.49	0.79	1.03	0.89	1.09	1.13	1.21	0.78
2,5,6-Trihydroxy-5,6-dihydroquinoline	ME760457	1.32	1.18	0.81	0.53	1.75	0.94	0.83	0.70	1.34	1.14	0.78	0.67
3-Methyleneoxindole	ME760456	NA	0.82	NA	0.64	0.39	4.58	0.43	0.72	0.22	0.81	NA	0.40
2-Quinolinecarboxylic acid	ME760236	0.45	1.86	NA	NA	0.63	1.11	2.00	0.60	0.96	0.77	0.62	NA
3-Oxododecanoic acid	ME760254	1.05	1.11	1.28	1.06	0.91	0.80	0.91	0.92	0.92	0.95	1.11	0.98
Asp-Ser-Tyr-Tyr	ME760320	0.76	1.22	0.52	0.28	1.96	1.76	0.68	0.40	1.80	1.37	0.94	0.30
3-sulfopropanoate	ME760341	0.86	1.06	0.92	1.02	0.97	0.96	0.96	0.79	0.99	1.11	1.09	1.26
2-oxobut-3-enanoate	ME760377	0.86	1.04	1.08	0.94	1.00	0.87	0.93	1.00	1.01	1.07	1.15	1.05
4-Amino-4-deoxychorismate	ME760219	1.03	1.15	1.57	1.15	1.14	0.66	0.52	1.02	1.15	0.79	1.16	0.65
4-Hydroxy-4-methylglutamate	ME760408	1.04	0.72	1.29	1.05	1.72	0.64	0.50	1.05	1.63	0.73	1.05	0.58
4-Nitrophenyl-3-ketovalidamine	ME760258	1.02	0.76	0.89	0.93	1.38	0.98	0.97	0.98	0.98	0.94	1.05	1.12
5-Methyldeoxycytidine diphosphate	ME760234	1.11	0.64	0.96	0.74	1.49	0.88	1.00	1.01	1.03	0.93	1.22	0.98
Ala-Asp-Asp-Gly	ME760259	1.11	0.70	0.98	0.91	1.59	0.80	0.92	1.11	1.11	0.99	0.93	0.84
Butyl butyryllactate	ME760247	0.99	1.07	1.13	1.09	0.94	0.94	0.95	0.96	0.98	0.99	1.04	0.91
2-Dodecylbenzenesulfonic acid	ME760294	0.83	0.59	2.02	0.87	0.47	0.59	1.35	1.21	0.37	0.23	2.16	1.31
5-Acetyl-2,4-dimethyloxazole	ME760431	1.18	0.89	1.12	0.95	0.95	0.88	1.07	0.87	0.77	1.00	1.26	1.07
Asn-Glu-Asp-Glu	ME760290	1.27	0.73	0.63	0.61	2.30	0.84	0.86	0.97	1.62	0.83	0.74	0.62
2(alpha-D-Mannosyl)-D-glycerate	ME760451	1.46	1.09	1.01	1.03	0.98	0.85	0.88	0.69	1.05	1.01	1.18	0.77
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid	ME760239	1.05	0.64	1.10	0.76	1.39	1.14	0.83	0.77	1.37	0.92	1.43	0.60
2-Oxoglutaramate	ME760398	1.34	1.22	1.16	0.86	1.04	0.82	0.89	0.82	0.92	0.87	1.28	0.77
Acetyl-maltose	ME760266	0.97	1.27	0.87	0.82	1.14	1.15	1.05	0.94	1.03	0.98	0.78	1.01
Arg-Phe-Phe-Arg	ME760330	0.95	0.99	0.95	1.08	1.03	0.97	0.91	0.87	1.15	1.21	0.97	0.93
Ala-Met-Met-Met	ME760297	0.92	0.54	1.05	0.54	3.04	0.64	0.58	0.38	1.28	1.51	1.03	0.48
2-C-Methyl-D-erythritol 4-phosphate	ME760389	0.81	2.22	0.54	0.34	1.59	1.67	0.34	0.38	1.61	1.66	0.65	0.20
Ala-Asp-Gly-Tyr	ME760289	1.14	1.09	1.24	1.28	0.86	0.71	0.84	1.13	0.72	0.84	1.07	1.07
Ala-Ala-Asp-Cys	ME760260	1.09	0.92	0.93	1.16	1.58	0.70	0.56	1.25	1.20	0.87	0.93	0.81
Citrate	ME760421	0.84	0.92	1.20	0.86	1.67	0.85	0.89	0.99	1.16	0.92	1.00	0.70
ADP-ribose	ME760274	0.93	0.74	0.70	0.68	1.82	1.01	0.93	0.98	1.36	1.08	1.11	0.66
CDP-ethanolamine	ME760246	1.22	0.84	0.92	0.99	1.54	0.81	0.86	1.13	1.01	0.84	0.93	0.92
3-Ethylmalate	ME760404	1.05	1.04	1.00	0.83	1.33	1.05	0.83	0.83	1.12	1.09	0.94	0.89
9-Oxononanoic acid	ME760450	1.08	1.03	1.13	0.95	0.87	1.02	0.92	1.00	0.94	1.03	1.07	0.97
ATP	ME760231	0.96	0.97	1.03	1.21	1.61	0.88	0.57	0.98	1.53	0.73	0.93	0.59
1-Deoxy-D-altro-heptulose 7-phosphate	ME760429	0.93	1.14	1.12	1.11	0.86	0.80	0.86	1.11	0.80	1.06	1.26	0.96
Ala-Phe-Ala-Arg	ME760310	0.87	0.73	1.24	1.50	0.95	0.86	0.42	0.77	1.90	0.76	1.62	0.38
1-(5-Phosphoribosyl)imidazole-4-acetate	ME760225	0.92	0.80	0.96	0.55	1.65	0.91	1.02	1.12	1.17	0.97	1.17	0.76
ADP	ME760227	0.88	0.84	1.49	1.45	0.99	0.61	0.78	1.03	1.03	0.79	1.13	0.97
Asn-Cys-Cys	ME760235	0.96	1.32	0.67	0.99	0.86	1.18	1.06	1.00	1.09	1.05	0.63	1.19
Asn-Met-Asp-Gln	ME760292	0.94	0.77	0.44	0.22	3.98	0.93	0.36	0.31	1.55	1.53	0.66	0.30
Ala-Gly-Ser	ME760437	1.22	0.90	1.21	1.26	0.99	0.62	0.83	1.11	0.83	0.79	1.10	1.14
5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid	ME760267	1.04	1.07	1.00	1.15	0.88	0.79	1.24	1.04	0.80	0.92	0.96	1.08
2-Hydroxy-2,4-pentadienoate	ME760394	1.04	1.70	0.58	0.29	1.95	1.35	0.47	0.43	1.58	1.72	0.64	0.25
Asn-Val-Asp-Pro	ME760291	1.28	0.79	1.09	1.27	1.16	0.59	0.88	1.22	0.89	0.59	0.93	1.32
Arg-Met-Ser-His	ME760304	0.71	0.99	1.21	1.44	0.90	0.60	0.79	1.20	0.77	0.94	1.48	0.96
Ala-Asp-Gln-Tyr	ME760308	1.32	1.07	1.39	1.40	0.80	0.62	0.79	1.08	0.62	0.82	1.01	1.10
6-Phospho-D-gluconate	ME760415	1.03	0.93	1.16	1.09	1.38	0.82	0.62	1.11	1.22	0.85	1.02	0.76
Asp-Met-Met-Thr	ME760295	0.81	1.73	0.32	0.18	2.00	1.35	0.55	0.20	1.36	1.75	0.74	NA
Chenodeoxyglycocholate	ME760322	1.58	0.88	0.89	0.63	1.42	0.90	0.97	0.99	1.17	1.19	0.87	0.49
6-formyl-H2-pterin	ME760430	0.74	1.06	0.95	1.06	0.86	1.14	0.84	1.47	0.99	1.05	0.64	1.18
chromate	ME760459	0.88	1.41	0.74	0.71	1.19	1.87	0.80	0.47	1.51	0.83	0.57	1.03
Ala-Ala-Asn-Ser	ME760262	1.41	0.86	0.82	1.13	1.39	0.79	0.70	0.96	1.18	0.92	0.92	0.93
chromopyrrolate	ME760313	1.67	0.98	0.98	1.18	1.20	0.56	0.62	1.31	1.19	0.66	0.63	1.02
CMP-2-aminoethylphosphonate	ME760245	1.10	0.78	0.82	0.78	1.47	0.85	0.90	1.14	1.17	0.98	1.00	0.99
2-Oxoglutarate	ME760396	1.08	0.68	1.11	0.94	1.10	0.73	0.97	1.12	1.06	0.89	1.27	1.05
3^,5^-Cyclic AMP	ME760221	1.00	0.86	0.88	0.90	1.30	0.83	0.91	0.82	1.13	1.13	1.17	1.08
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one	ME760232	1.29	1.10	1.27	1.26	0.86	0.95	1.06	0.65	0.85	0.78	0.87	1.07
Asp-Glu-Glu-Gly	ME760279	1.24	0.67	0.63	0.67	2.24	0.91	0.82	1.16	1.44	0.72	0.83	0.67

Factors:

F1	treatment:10g2 clone PfPK8KO-1
F2	treatment:10g2 clone PfPK8KO-2
F3	treatment:10g2 clone PfPK8KO-3
F4	treatment:10g2 clone PfPK8KO-4
F5	treatment:11c clone PfPK8KO-1
F6	treatment:11c clone PfPK8KO-2
F7	treatment:11c clone PfPK8KO-3
F8	treatment:11c clone PfPK8KO-4
F9	treatment:2c HA control-1
F10	treatment:2c HA control-2
F11	treatment:2c HA control-3
F12	treatment:2c HA control-4

Data matrix