Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003429)

(Analysis AN005631)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16
Citric 173	ME897686	NA	1.85	13.04	1.45	1.35	2.81	NA	0.16	0.07	0.13	0.08	0.07	0.12	0.19	0.10	0.02
HEPES 107	ME897689	1.08	1.00	1.03	0.88	0.93	0.81	1.03	0.69	0.76	0.69	0.67	0.69	0.62	0.74	0.00	7.04
HEPES 80	ME897688	1.06	0.97	1.01	0.96	0.95	0.91	1.03	0.70	0.73	0.69	0.67	0.66	0.66	0.72	0.00	6.94
Citric 111	ME897685	5.94	0.84	NA	0.65	0.61	1.28	5.63	0.05	0.03	NA	NA	NA	NA	0.10	NA	0.00
NADPH 408	ME897709	4.45	0.48	1.01	0.46	0.40	0.46	7.70	0.01	0.00	0.00	0.00	0.01	0.00	0.00	0.01	0.01
Oxaloacetic 87	ME897663	5.50	0.18	3.07	0.06	0.13	0.73	6.12	0.06	0.03	0.05	0.03	0.06	0.11	0.07	0.06	0.04
Glucose 59	ME897682	0.29	0.27	0.29	0.22	0.40	0.20	0.29	1.79	1.07	1.44	1.13	1.52	0.96	1.93	2.35	3.26
Glucose 71	ME897683	0.27	0.25	0.27	0.21	0.38	0.19	0.27	1.78	1.02	1.39	1.08	1.49	0.92	1.95	2.44	3.63
Folic 311	ME897702	0.26	0.41	0.32	0.30	0.40	0.32	0.23	1.51	1.51	1.49	1.44	1.48	1.44	1.55	1.41	3.38
Phenol Red 195	ME897698	0.19	0.27	0.23	0.19	0.26	0.20	0.18	1.52	1.50	1.56	1.43	1.51	1.47	1.63	1.49	3.04
Phenol Red 93	ME897697	0.19	0.27	0.22	0.19	0.26	0.20	0.19	1.60	1.64	1.65	1.51	1.61	1.60	1.65	1.55	2.99
Ascorbic acid 79	ME897681	NA	NA	NA	0.31	0.51	NA	0.41	0.99	1.00	1.69	1.13	0.64	0.68	2.20	0.93	0.29
Uric 124	ME897675	0.31	0.40	0.37	0.37	0.40	0.37	0.50	1.54	1.92	1.52	1.85	1.87	1.51	2.54	0.84	0.00
Uric 96	ME897676	0.34	0.41	0.33	0.31	0.36	0.32	0.51	1.40	1.83	1.37	1.62	1.67	1.42	2.32	0.78	NA
Penicillin G 289	ME897696	0.38	0.53	0.46	0.37	0.48	0.42	0.35	1.48	1.67	1.56	1.60	1.52	1.62	1.56	2.32	0.00
Cystine 120	ME897690	0.01	0.12	0.03	0.09	0.26	0.06	0.01	1.79	1.93	1.88	1.93	1.95	1.97	1.86	2.22	0.35
Cystine 74	ME897691	0.01	0.11	0.03	0.09	0.26	0.06	0.01	1.82	1.95	1.85	1.91	1.90	2.00	1.83	2.25	0.35
GSSG 179	ME897704	2.75	1.80	2.86	1.27	0.71	1.90	2.35	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	NA
Butyryl-CoA 408	ME897720	2.76	2.16	2.49	1.85	0.96	2.76	3.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Butyryl-CoA 79	ME897719	2.79	2.32	2.64	1.74	0.99	2.84	2.97	0.00	0.01	0.01	0.01	0.00	0.00	0.01	0.01	0.00
Taurine 80	ME897662	2.94	1.81	2.66	1.66	1.30	2.02	2.97	0.07	0.17	0.09	0.19	0.21	0.15	0.07	0.01	0.00
NAD+ 540	ME897705	3.12	1.85	2.80	1.85	1.54	2.09	3.09	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
FAD 408	ME897714	2.91	1.95	2.74	1.97	1.46	2.20	2.72	0.00	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.00
FAD 79	ME897713	2.98	2.01	2.79	1.98	1.48	2.28	2.78	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Palmitoleyl-CoA (16:1) 79	ME897733	3.68	1.64	3.16	1.69	1.11	2.23	2.73	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.01
Myristoyl-CoA 408	ME897732	3.23	1.95	3.06	1.72	1.05	2.45	2.65	0.02	0.03	0.02	0.03	0.03	0.03	0.02	0.02	0.02
GSSG 306	ME897703	3.32	2.11	3.41	1.51	0.90	2.24	2.83	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Oleoyl-CoA (18:1) 79	ME897735	3.41	1.92	3.49	1.62	1.09	2.26	2.48	0.00	0.01	0.00	0.00	0.01	0.01	0.01	0.00	0.00
Lauroyl-CoA 408	ME897729	2.30	2.56	2.44	2.53	1.59	2.68	1.69	0.05	0.06	0.06	0.05	0.05	0.07	0.05	0.10	0.07
Coenzyme A 408	ME897712	2.36	2.84	2.16	2.89	1.59	2.53	1.95	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Coenzyme A 79	ME897711	2.37	2.78	2.21	2.91	1.62	2.49	1.94	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Acetyl-CoA 79	ME897715	2.65	2.23	2.28	2.17	1.89	2.52	2.60	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Alanine NEG PAR	ME897653	2.21	2.10	2.24	2.28	2.02	2.04	2.16	0.17	0.17	0.22	0.18	0.17	0.17	0.15	0.01	0.05
Acetyl-CoA 408	ME897716	2.00	1.71	1.70	1.64	1.48	1.87	1.94	0.00	0.00	0.00	0.00	0.00	0.00	0.00	NA	0.00
Acetyl-CoA 461	ME897717	2.05	1.81	1.85	1.73	1.54	1.96	2.07	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Ascorbic acid 157	ME897680	2.43	1.71	2.21	1.95	1.65	1.70	2.39	0.17	0.23	0.34	0.19	0.14	0.25	0.32	0.17	0.52
HMG-CoA 408	ME897727	2.73	1.42	2.46	1.50	2.02	1.66	2.52	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Methylcrotonyl-CoA 408	ME897722	2.94	0.92	2.34	0.88	0.53	0.97	3.07	0.00	0.00	0.01	0.01	0.00	0.00	0.00	0.01	NA
Palmitoyl-CoA (16:0) 79	ME897734	3.56	1.52	3.50	1.02	0.78	2.23	3.67	0.01	0.00	0.01	0.00	0.01	0.00	0.01	0.01	0.00
Propionyl-CoA 408	ME897718	3.69	1.43	3.06	1.18	0.76	2.01	3.63	0.08	0.05	0.11	0.06	0.03	0.06	0.03	0.07	0.06
Malic 115	ME897667	3.64	1.26	3.48	1.35	0.91	1.26	3.46	0.11	0.17	0.13	0.17	0.13	0.15	0.10	0.01	0.00
Fumaric 71	ME897658	3.83	1.08	3.68	1.16	0.76	1.18	3.64	0.12	0.14	0.13	0.19	0.12	0.15	0.07	0.04	0.03
Malic 71	ME897668	3.76	1.16	3.64	1.26	0.83	1.17	3.61	0.10	0.16	0.12	0.16	0.12	0.14	0.09	0.01	0.01
Malonyl-CoA 408	ME897723	3.97	1.22	3.25	1.15	0.49	1.28	3.93	0.01	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.01
Methylcrotonyl-CoA 79	ME897721	4.02	1.17	3.30	1.14	0.77	1.48	4.33	0.01	0.01	0.01	0.02	0.01	0.01	0.01	0.01	0.00
Succinyl-CoA 408	ME897725	4.92	0.46	3.65	0.30	0.18	0.82	3.82	0.02	0.06	0.02	0.01	0.04	0.01	0.01	0.02	0.03
Succinic 73	ME897659	3.80	0.25	3.02	0.20	0.27	0.30	5.34	0.44	0.37	0.39	0.32	0.32	0.33	0.50	0.27	0.07
Succinic 99	ME897660	3.67	0.23	3.03	0.19	0.26	0.29	5.20	0.45	0.37	0.41	0.39	0.40	0.34	0.53	0.33	0.08
Ketoglutaric 101	ME897669	4.21	0.33	3.82	0.31	0.26	0.64	4.51	0.43	0.22	0.40	0.21	0.22	0.25	0.44	0.06	0.02
Ketoglutaric 57	ME897670	3.71	0.46	3.40	0.52	0.47	0.75	3.98	0.54	0.32	0.42	0.30	0.36	0.35	0.51	0.17	0.07
NADH 408	ME897707	0.97	3.06	2.62	3.40	1.95	3.08	0.91	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Octanoyl-CoA 79	ME897726	1.56	2.53	1.13	2.56	3.51	3.34	0.91	0.05	0.03	0.07	0.03	0.04	0.03	0.07	0.11	0.04
Propionic PARENT	ME897651	0.70	2.03	1.51	2.07	1.92	1.85	0.90	0.49	1.29	1.11	0.87	0.61	0.46	0.42	0.02	0.09
Lactic 71	ME897656	0.42	2.07	0.91	2.10	1.95	1.90	0.34	0.42	1.20	0.81	1.13	0.85	1.22	0.34	0.00	NA
Lactic 87	ME897655	0.44	2.14	0.93	2.18	2.03	1.99	0.36	0.44	1.25	0.84	1.19	0.88	1.28	0.36	0.00	0.00
Stearic PAR	ME897695	1.04	1.80	1.37	2.04	2.86	1.63	0.96	0.44	0.49	0.48	0.53	0.67	0.52	0.53	0.75	0.25
Palmitic PAR	ME897694	1.12	1.93	1.76	2.19	3.59	1.59	1.05	0.28	0.30	0.33	0.32	0.45	0.34	0.46	0.55	0.05
Myristic PAR	ME897687	1.38	1.85	1.65	2.44	2.99	1.85	1.38	0.31	0.24	0.32	0.25	0.29	0.25	0.36	0.35	0.46
Palmitoleic PAR	ME897693	1.57	1.98	1.54	2.62	3.25	1.86	1.44	0.24	0.23	0.21	0.24	0.31	0.22	0.26	0.33	0.04
Citrulline 131	ME897679	0.77	1.53	0.68	2.12	2.85	1.14	0.78	0.86	0.91	0.88	0.86	0.90	0.85	0.85	0.32	0.06
Phenylalanine 147	ME897673	0.78	1.64	0.73	2.21	2.90	1.29	0.84	0.50	0.73	0.57	0.71	0.73	0.69	0.51	0.71	1.19
Phenylalanine 72	ME897674	0.75	1.57	0.70	2.12	2.83	1.21	0.80	0.48	0.69	0.54	0.67	0.69	0.65	0.49	0.67	1.21
Malonyl-CoA 426	ME897724	1.87	0.65	1.56	0.57	0.29	0.67	1.73	0.00	NA	NA	NA	NA	NA	NA	NA	NA
HMG-CoA 426	ME897728	1.46	0.78	1.35	0.82	1.10	0.89	1.27	NA	0.00	NA	NA	NA	NA	NA	NA	NA
NAD+ 273	ME897706	1.41	0.83	1.27	0.81	0.67	0.94	1.41	NA	NA	NA	NA	NA	NA	0.00	NA	NA
Cysteine PARENT	ME897661	2.79	1.39	3.15	1.42	0.80	1.96	1.48	0.31	0.20	0.30	0.46	0.49	0.31	0.54	0.04	0.97
myo-Inositol 161	ME897684	2.15	1.43	1.71	1.63	1.45	1.44	2.09	0.50	0.52	0.50	0.50	0.50	0.52	0.52	0.52	0.54
Pyruvic 32	ME897652	1.73	1.66	2.13	1.39	1.25	1.77	1.51	0.66	0.51	0.77	0.40	0.27	0.67	0.65	0.00	1.39
Butyric PAR	ME897654	2.22	1.77	2.55	1.48	0.72	1.90	2.03	0.50	0.40	0.57	0.34	0.23	0.46	0.49	0.02	0.92
C75 209	ME897692	1.52	1.86	2.36	1.32	1.29	1.71	2.06	0.33	0.46	0.58	0.34	0.44	0.23	0.67	0.47	0.63
Acetic PAR	ME897650	0.76	1.19	1.70	1.22	1.31	0.99	1.93	0.40	0.92	0.41	0.89	0.72	1.02	0.64	0.78	1.78
Malonic 59	ME897657	1.40	0.78	2.11	1.45	1.40	1.30	1.41	0.84	0.60	0.92	0.64	0.48	0.97	0.72	0.64	0.53
Asparagine 113	ME897664	1.68	1.01	1.18	1.43	1.88	0.75	1.95	0.72	0.84	0.78	0.80	0.80	0.81	0.73	0.88	0.14
Aspartic 115	ME897666	1.75	0.95	1.29	1.00	1.26	0.81	1.74	0.87	0.90	0.91	0.93	0.92	0.91	0.90	0.95	0.35
Aspartic 88	ME897665	1.63	0.96	1.29	1.01	1.20	0.83	1.67	0.89	0.93	0.93	0.94	0.94	0.95	0.94	0.98	0.37
Glutamic acid 102	ME897671	1.75	1.08	1.51	1.22	1.35	1.06	1.74	0.87	0.76	0.80	0.77	0.82	0.72	0.90	0.75	0.32
Glutamic acid 128	ME897672	2.08	1.02	1.67	1.24	1.43	0.98	2.08	0.76	0.66	0.72	0.68	0.75	0.61	0.83	0.66	0.24
Formic PARENT	ME897649	1.05	0.71	0.95	0.32	1.53	1.48	1.18	0.79	0.94	0.76	0.86	1.02	0.84	1.17	0.69	2.79
Pemetrexed 321	ME897701	0.80	0.81	0.81	0.28	1.75	0.79	0.83	1.53	1.81	0.72	NA	0.70	NA	0.79	1.02	NA
Pemetrexed 297	ME897700	1.10	0.56	0.94	0.63	0.83	0.54	0.65	1.20	0.82	1.40	1.34	1.32	1.55	0.88	1.10	0.53
aCD 161	ME897730	0.90	0.86	0.67	0.90	1.52	0.89	0.64	0.78	1.42	0.80	0.54	1.15	1.03	1.56	1.27	0.81
Riboflavin 243	ME897699	0.86	1.17	1.01	1.10	1.40	1.07	0.68	1.13	1.14	1.04	1.19	1.38	1.01	0.71	0.71	1.05
Arginine 131	ME897677	0.51	1.15	0.56	1.40	1.77	0.88	0.52	1.05	1.14	1.09	1.13	1.13	1.15	1.08	1.23	0.79
Arginine 156	ME897678	0.49	1.16	0.53	1.44	1.87	0.86	0.50	1.04	1.14	1.09	1.13	1.12	1.15	1.08	1.24	0.76

Factors:

F1	Sample source:BT-474 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:0.1 uM Fasnall
F2	Sample source:BT-474 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:10 uM Fasnall
F3	Sample source:BT-474 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM Fasnall
F4	Sample source:BT-474 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:20 uM Fasnall
F5	Sample source:BT-474 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:40 uM Fasnall
F6	Sample source:BT-474 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 uM Fasnall
F7	Sample source:BT-474 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:Control
F8	Sample source:BT-474 breast cancer cells \| Sample Type:Medium \| Drug Treatment:0.1 uM Fasnall
F9	Sample source:BT-474 breast cancer cells \| Sample Type:Medium \| Drug Treatment:10 uM Fasnall
F10	Sample source:BT-474 breast cancer cells \| Sample Type:Medium \| Drug Treatment:1 uM Fasnall
F11	Sample source:BT-474 breast cancer cells \| Sample Type:Medium \| Drug Treatment:20 uM Fasnall
F12	Sample source:BT-474 breast cancer cells \| Sample Type:Medium \| Drug Treatment:40 uM Fasnall
F13	Sample source:BT-474 breast cancer cells \| Sample Type:Medium \| Drug Treatment:5 uM Fasnall
F14	Sample source:BT-474 breast cancer cells \| Sample Type:Medium \| Drug Treatment:Control
F15	Sample source:NA \| Sample Type:Medium \| Drug Treatment:10 uM Fasnall
F16	Sample source:NA \| Sample Type:QC \| Drug Treatment:NA

Data matrix