Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003431)

(Analysis AN005635)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17	F18	F19	F20	F21	F22
Cholic 343	ME898045	0.51	0.53	1.03	0.69	0.43	0.41	0.57	0.64	0.69	0.27	0.34	0.20	0.40	0.27	13.31	0.23	0.40	0.19	0.38	0.43	0.30	0.61
Phenol Red 195	ME898043	0.07	0.18	0.03	0.09	0.20	0.04	0.02	0.05	0.07	0.12	0.09	0.03	0.07	0.09	0.06	0.30	0.85	0.48	19.02	0.03	0.05	0.04
Phenol Red 93	ME898042	0.10	0.18	0.09	0.28	0.46	0.15	0.16	0.13	0.10	0.16	0.25	0.15	0.22	0.26	0.17	0.78	0.96	0.73	17.34	0.12	0.12	0.10
HEPES 107	ME898027	0.33	0.47	0.46	0.51	0.50	0.32	0.14	0.18	0.12	0.24	0.33	0.20	0.42	0.24	0.27	0.35	0.34	0.47	14.66	0.91	0.49	0.54
HEPES 80	ME898026	0.43	0.50	0.35	0.58	0.44	0.44	0.19	0.16	0.19	0.34	0.39	0.20	0.31	0.37	0.19	0.64	0.46	0.48	13.51	0.86	0.97	0.99
Folic 311	ME898048	0.20	0.36	0.19	0.51	0.68	0.34	0.26	0.26	0.24	0.32	0.55	0.26	0.40	0.52	0.25	1.42	1.60	1.12	12.95	0.21	0.21	0.16
Glucose 71	ME898015	0.23	0.41	0.24	0.30	0.70	0.45	0.34	0.34	0.32	0.37	0.70	0.26	0.35	0.50	0.30	0.22	1.18	0.96	14.02	0.07	0.12	0.12
Glucose 59	ME898014	0.26	0.46	0.26	0.36	0.77	0.50	0.39	0.38	0.35	0.39	0.78	0.28	0.42	0.56	0.36	0.27	1.36	1.04	13.46	0.09	0.13	0.13
Mannose 59	ME898017	0.27	0.49	0.29	0.34	0.78	0.51	0.42	0.40	0.35	0.43	0.84	0.31	0.39	0.61	0.36	0.26	1.34	0.98	13.26	0.08	0.13	0.15
Cysteine PAR	ME897988	0.28	0.14	0.92	0.82	1.18	1.32	0.37	0.27	0.11	0.78	0.11	0.12	0.45	0.17	0.28	0.88	1.09	2.89	9.12	0.29	0.48	0.28
Cystine 120	ME898028	0.49	0.94	0.29	0.34	0.50	0.36	0.48	0.51	0.42	0.95	1.21	0.58	0.64	0.50	0.68	1.15	2.80	1.72	7.60	0.27	0.26	0.29
Cystine 74	ME898029	0.52	1.01	0.32	0.24	0.54	0.35	0.53	0.53	0.47	1.01	1.26	0.56	0.66	0.47	0.65	1.12	2.90	1.62	7.42	0.21	0.30	0.33
Butyric PAR	ME897974	0.02	0.02	0.06	3.04	2.46	1.84	0.02	0.16	0.10	0.02	0.03	0.04	0.10	0.09	0.02	3.67	0.03	0.08	8.25	0.05	0.03	0.02
Propionic PAR	ME897971	0.18	0.04	0.71	2.58	0.16	0.26	0.30	0.07	0.14	1.34	0.29	0.06	NA	0.14	NA	4.86	0.52	0.81	6.51	1.57	0.24	0.09
Mannose 95	ME898018	0.08	0.03	0.13	0.59	0.09	0.15	0.14	0.17	4.25	6.63	5.88	0.15	3.75	0.09	0.05	0.08	0.10	0.18	0.04	0.06	0.12	0.18
Glycerol 2-phosphate 79	ME898007	0.26	0.19	0.22	0.57	0.30	0.29	0.29	0.18	0.22	0.53	0.26	0.30	0.30	0.22	0.20	0.88	0.38	0.45	0.00	9.07	3.19	4.69
Methylmalonic 55	ME897987	0.20	0.74	0.92	0.16	0.55	0.80	0.26	0.37	0.20	0.05	0.24	0.73	0.14	0.30	0.24	0.38	6.78	9.40	0.03	0.17	0.17	0.15
Methylmalonic 73	ME898084	0.17	0.81	0.94	0.02	0.46	0.90	0.25	0.27	0.19	0.01	0.35	0.56	0.04	0.24	0.12	0.54	7.00	9.59	0.00	0.03	0.29	0.19
C75 209	ME898031	0.27	0.77	0.20	0.20	3.78	0.36	0.42	0.42	0.82	0.23	2.65	0.39	0.27	1.01	0.48	0.25	7.95	0.30	0.21	0.36	1.27	0.24
Butyryl-CoA 408	ME898068	0.08	1.92	0.21	0.06	0.55	0.05	0.09	0.56	0.10	0.89	6.32	0.53	0.05	0.67	0.03	0.10	7.52	0.20	0.03	0.12	1.40	0.04
Butyryl-CoA 79	ME898067	0.13	1.61	0.27	0.33	1.05	0.16	0.48	0.61	0.25	0.90	5.77	0.96	0.14	0.68	0.21	0.19	7.05	0.16	0.04	0.21	1.49	0.26
Uric 124	ME898005	0.46	0.36	0.41	3.58	4.66	6.14	0.16	0.10	0.17	0.26	0.36	0.28	0.48	0.41	0.35	1.15	0.90	1.24	0.04	0.57	0.46	0.46
Uric 96	ME898006	0.45	0.32	0.39	3.66	4.72	6.10	0.13	0.08	0.14	0.23	0.31	0.26	0.46	0.35	0.36	1.05	0.91	1.17	0.01	0.53	0.40	0.46
Glycerol 2-phosphate 127	ME898008	0.25	0.25	2.16	0.60	0.45	0.15	0.59	0.15	0.13	2.71	0.80	0.39	0.40	0.64	0.59	6.60	0.41	4.12	0.30	0.32	0.23	0.29
Succinyl-CoA 408	ME898073	0.40	0.34	0.34	0.40	0.24	0.52	0.03	0.09	0.06	1.20	0.88	1.62	0.24	0.34	0.20	5.78	4.05	5.52	0.02	0.36	0.08	0.28
Ascorbic 157	ME898012	3.64	3.86	3.06	0.10	0.19	0.06	0.14	0.20	0.27	1.24	1.93	0.71	0.19	0.23	0.21	0.22	0.44	0.20	0.37	1.44	2.49	1.63
Malonic 59	ME897977	0.04	1.13	1.36	0.22	1.70	2.51	0.04	0.21	0.23	0.11	1.39	1.90	0.06	1.16	1.46	0.10	3.87	4.02	0.00	0.03	0.69	0.77
Succinic 73	ME897985	0.02	0.92	1.31	0.30	1.72	2.74	0.01	0.07	0.05	0.21	2.27	3.60	0.06	0.94	1.27	0.12	2.99	3.59	0.00	0.02	0.38	0.42
Succinic 99	ME897986	0.00	0.91	1.28	0.30	1.70	2.72	0.01	0.08	0.09	0.21	2.24	3.64	0.06	0.93	1.26	0.12	2.98	3.64	0.00	0.02	0.39	0.44
Mannitol 89	ME898019	0.58	0.21	0.28	0.30	0.21	0.24	2.00	1.26	1.32	0.09	0.08	0.09	1.51	0.69	0.77	3.88	2.29	2.94	0.38	2.54	0.65	0.68
Sorbitol 71	ME898020	0.60	0.21	0.28	0.30	0.22	0.23	2.05	1.24	1.34	0.08	0.08	0.09	1.55	0.68	0.78	3.99	2.28	2.90	0.18	2.55	0.70	0.69
Fructose-1,6-bisphosphate 177	ME898040	0.19	0.30	0.09	2.41	0.70	0.93	0.99	0.70	1.33	0.08	0.10	0.07	0.95	0.79	0.67	3.69	1.00	2.07	NA	2.67	0.21	0.13
Fructose-1,6-bisphosphate 97	ME898039	0.41	0.07	0.07	4.67	1.50	1.59	0.99	0.45	0.99	0.10	0.03	0.02	0.98	0.51	0.35	3.93	1.48	1.91	0.00	2.66	0.09	0.17
Acetic PAR	ME897970	1.44	0.76	2.55	0.82	0.79	0.99	1.16	0.30	1.72	1.00	0.57	0.97	0.92	0.80	0.70	0.63	0.57	0.57	2.82	0.42	0.22	0.43
Trehalose 59	ME898041	0.61	0.56	4.50	0.87	1.13	1.34	0.49	0.82	0.79	0.46	0.52	0.21	0.79	1.40	0.75	0.70	1.27	1.30	2.60	0.55	0.78	0.50
Pyruvic 32	ME897972	0.57	0.59	0.37	1.71	1.62	1.00	0.18	0.12	0.11	0.98	1.15	0.53	0.39	0.55	0.32	2.51	2.30	1.83	4.93	0.32	0.50	0.40
Riboflavin 243	ME898044	0.64	0.43	0.62	0.84	1.01	0.70	0.33	0.54	0.48	0.55	0.71	0.97	0.43	0.67	0.44	2.79	1.98	2.09	5.05	0.61	0.32	0.49
Arginine 131	ME898009	0.44	0.53	0.37	1.66	1.77	1.50	0.46	0.38	0.38	1.35	1.41	0.93	0.78	0.84	0.69	1.46	1.61	1.35	3.02	0.76	0.63	0.67
Arginine 156	ME898010	0.45	0.53	0.38	1.66	1.77	1.50	0.47	0.38	0.38	1.34	1.41	0.93	0.78	0.84	0.69	1.46	1.59	1.36	3.02	0.77	0.64	0.67
Phenylalanine 147	ME898003	0.49	0.55	0.47	1.62	2.35	2.36	0.75	0.60	0.61	0.83	1.03	0.70	0.50	0.53	0.50	1.03	1.24	1.18	3.80	0.62	0.61	0.62
Phenylalanine 72	ME898004	0.47	0.53	0.47	1.55	2.28	2.27	0.73	0.58	0.61	0.83	1.01	0.68	0.50	0.52	0.47	1.00	1.21	1.14	3.77	0.63	0.60	0.63
myo-Inositol 161	ME898016	2.84	2.58	2.40	2.42	1.88	2.23	0.43	0.32	0.35	0.22	0.29	0.26	0.99	1.06	0.97	0.73	0.86	1.01	0.39	0.27	0.29	0.18
Uridine 111	ME898030	3.02	2.27	2.28	0.82	1.42	1.48	0.34	0.41	0.55	0.27	0.55	0.31	2.00	1.26	1.95	0.67	0.93	0.76	0.00	0.50	0.52	0.70
aCD 161	ME898078	1.56	1.84	1.15	0.93	NA	0.51	2.23	NA	0.97	0.45	0.50	0.92	NA	NA	1.82	0.49	0.49	0.46	NA	0.72	1.08	1.65
O-Phospho-L-serine 79	ME898022	2.22	1.96	1.89	2.03	2.56	2.41	1.88	1.54	0.77	0.17	0.13	0.15	0.57	0.53	0.62	0.02	0.03	0.06	0.00	0.79	0.81	0.83
O-Phospho-L-serine 97	ME898021	2.32	1.97	2.11	2.08	2.67	2.47	1.90	1.77	0.95	0.16	0.11	0.18	0.57	0.57	0.57	0.05	0.05	0.05	0.01	0.79	0.76	0.86
Maleic 27	ME897984	1.50	1.81	1.43	0.65	0.85	0.82	1.58	1.16	1.36	NA	NA	NA	0.53	0.62	NA	NA	NA	NA	NA	0.28	0.54	0.40
Xanthine 108	ME898002	2.16	2.23	2.27	1.02	1.05	1.09	2.58	2.42	1.35	0.36	0.40	0.35	0.54	0.47	0.52	0.61	0.98	0.82	0.00	0.62	0.54	0.61
Xanthosine 151	ME898037	1.92	1.94	1.91	1.50	1.60	1.60	2.47	2.07	1.18	0.16	0.13	0.10	0.90	0.80	0.88	0.18	0.20	0.21	0.00	1.07	1.03	1.15
Citraconic 85	ME897991	1.22	2.13	1.23	1.48	1.49	0.89	2.39	2.28	1.15	0.63	0.38	0.69	1.11	1.15	0.70	0.02	0.08	0.08	0.01	1.30	1.23	1.38
Maleic 71	ME897983	1.52	1.64	1.64	1.23	1.31	1.17	1.76	1.71	1.32	0.65	0.64	0.74	0.86	0.87	1.01	0.36	0.33	0.37	0.14	1.01	1.10	1.11
Oleoyl-CoA (18:1) 79	ME898083	0.43	1.69	0.97	0.43	0.75	0.60	0.47	0.76	0.81	0.81	2.10	0.79	0.17	0.33	0.14	2.19	3.41	2.16	0.01	0.70	1.93	1.34
Palmitoleyl-CoA (16:1) 79	ME898081	0.54	1.33	0.51	0.32	0.71	0.28	0.43	0.61	0.75	0.56	3.44	0.59	0.21	0.41	0.19	2.00	5.31	2.18	0.07	0.23	1.62	0.69
Myristoyl-CoA 408	ME898080	0.46	1.50	0.68	1.21	1.88	1.03	0.45	0.90	0.44	0.30	3.04	0.19	0.24	0.86	0.65	0.94	3.42	2.03	0.05	0.32	1.88	0.49
Palmitoyl-CoA (16:0) 79	ME898082	0.41	2.28	0.56	0.33	3.65	0.50	0.38	0.63	0.57	0.20	2.95	0.33	0.19	0.69	0.24	0.81	4.80	1.55	0.04	0.19	1.42	0.25
2-Hydroxybutyric 57	ME897980	0.42	0.32	0.08	0.69	0.57	0.68	0.46	2.26	1.57	1.14	2.60	0.41	0.50	0.71	0.58	3.21	1.47	1.34	1.64	0.74	0.75	0.59
Pemetrexed 297	ME898046	0.66	0.54	1.94	0.57	0.33	0.22	0.83	2.36	1.75	0.75	0.86	1.83	1.21	1.06	0.92	1.78	0.23	0.53	0.60	0.36	0.76	0.77
Malonyl-CoA 408	ME898071	1.70	0.07	1.44	2.01	0.08	1.53	0.37	0.02	0.08	1.83	0.06	1.47	1.58	0.25	1.24	2.57	0.13	2.29	0.00	2.51	0.07	1.70
Malonyl-CoA 426	ME898072	1.61	0.06	1.32	1.89	0.06	1.44	0.33	0.02	0.07	1.72	0.05	1.36	1.45	0.23	1.14	2.38	0.11	2.26	0.00	2.29	0.07	1.64
HMG-CoA 408	ME898075	0.60	1.56	1.00	0.37	2.35	0.65	0.67	1.04	1.09	0.24	0.60	0.10	0.02	0.29	0.04	3.09	3.31	2.02	0.01	0.88	1.86	0.70
HMG-CoA 426	ME898076	0.72	1.58	0.67	0.23	2.54	0.69	0.60	1.07	0.76	0.16	0.57	0.04	0.02	0.33	0.06	2.77	2.90	2.00	NA	0.68	1.65	0.50
Alanine NEG PAR	ME897973	0.75	1.05	0.50	2.01	1.51	1.38	0.17	0.11	0.12	0.51	0.51	0.39	0.15	0.20	0.20	3.50	3.35	3.27	0.09	1.21	1.08	0.92
Pyroglutamic 82	ME897990	0.54	0.65	0.55	1.19	1.38	1.05	0.46	0.45	0.44	0.94	1.17	0.78	0.89	1.09	0.88	2.42	2.41	2.16	1.13	0.81	0.82	0.80
GSSG 179	ME898050	1.05	1.03	1.44	1.41	1.19	0.92	0.44	0.37	0.45	0.44	0.53	0.40	0.61	0.79	0.48	2.54	2.15	2.85	0.01	0.94	0.97	0.98
GSSG 306	ME898049	1.09	1.06	1.50	1.41	1.25	0.98	0.46	0.38	0.48	0.45	0.57	0.41	0.67	0.83	0.51	2.65	2.23	3.03	0.00	0.94	1.04	1.05
Coenzyme A 408	ME898058	1.03	0.59	0.98	1.43	0.79	1.15	0.34	0.19	0.22	1.17	0.66	1.06	0.85	0.52	0.61	3.26	1.94	2.73	0.00	1.16	0.56	0.77
Coenzyme A 79	ME898057	1.11	0.61	1.00	1.43	0.83	1.18	0.35	0.22	0.24	1.27	0.66	1.10	0.91	0.58	0.67	3.35	2.08	2.87	0.00	1.17	0.55	0.83
Acetyl-CoA 408	ME898064	0.78	0.79	0.82	0.95	0.75	0.71	0.27	0.29	0.36	1.08	0.74	1.08	0.84	1.05	0.75	2.51	2.39	2.58	0.00	1.15	0.76	0.83
Acetyl-CoA 461	ME898065	0.80	0.81	0.83	0.98	0.78	0.71	0.30	0.31	0.40	1.16	0.77	1.14	0.86	1.09	0.79	2.64	2.53	2.80	0.00	1.14	0.78	0.87
Acetyl-CoA 79	ME898063	0.85	0.84	0.88	0.99	0.76	0.72	0.30	0.31	0.41	1.16	0.76	1.19	0.88	1.13	0.84	2.72	2.63	2.80	0.00	1.16	0.78	0.89
Penicillin G 289	ME898038	0.47	0.82	0.37	1.28	1.64	0.67	0.63	0.56	0.47	0.69	1.05	0.42	0.92	1.07	0.69	3.62	3.82	2.47	0.00	0.49	0.44	0.41
NADH 335	ME898054	0.42	0.38	0.37	1.58	1.40	1.04	0.42	0.45	0.43	0.44	0.37	0.28	1.08	1.05	0.72	3.00	2.22	2.17	NA	1.47	0.89	0.80
NADH 408	ME898053	0.46	0.44	0.41	1.83	1.56	1.14	0.47	0.50	0.46	0.52	0.43	0.32	1.20	1.14	0.82	3.22	2.38	2.31	0.00	1.56	0.93	0.90
Lactic 71	ME897976	0.33	0.29	0.19	1.53	1.21	0.84	0.28	0.18	0.24	0.71	0.59	0.37	0.85	0.94	0.68	3.87	2.88	2.65	NA	1.03	0.74	0.61
Lactic 87	ME897975	0.33	0.32	0.21	1.67	1.40	0.94	0.28	0.24	0.30	0.65	0.67	0.42	0.98	0.98	0.76	4.16	3.11	2.94	0.00	1.08	0.82	0.74
Propionyl-CoA 408	ME898066	1.20	0.97	1.69	0.82	0.47	0.47	0.28	0.16	0.26	0.54	0.56	1.31	0.53	0.70	0.42	3.02	3.04	4.69	0.05	0.46	0.45	0.87
Glucose 6-phosphate 139	ME898035	0.86	0.41	0.41	1.01	0.92	1.59	0.32	0.30	0.25	0.44	0.44	0.41	0.86	0.62	0.76	2.34	3.93	3.96	NA	0.67	0.15	0.35
Glucose 6-phosphate 97	ME898034	1.08	0.46	0.57	0.94	1.13	1.60	0.42	0.36	0.33	0.52	0.56	0.51	1.11	0.75	0.91	2.44	3.77	4.13	0.00	0.78	0.22	0.41
Octanoyl-CoA 79	ME898074	1.39	0.50	0.95	0.68	1.98	1.78	0.51	0.99	0.28	1.13	0.89	0.56	1.07	0.85	0.88	1.15	0.27	0.68	0.04	1.39	1.69	3.23
Citric 111	ME898023	NA	1.28	NA	NA	NA	NA	0.33	0.28	0.18	1.45	1.68	0.81	1.22	1.25	NA	1.78	1.40	1.48	0.00	1.30	1.59	1.74
Taurine 80	ME897989	0.68	0.75	0.74	0.78	0.65	0.63	0.23	0.23	0.24	1.49	1.48	1.37	1.30	1.45	1.39	1.22	1.36	1.36	0.00	1.80	1.89	1.95
Lauroyl-CoA 408	ME898077	0.30	1.91	0.81	0.92	0.71	1.92	0.79	0.71	1.31	0.41	2.52	0.60	1.41	0.96	0.94	0.80	2.01	0.62	0.40	0.92	1.05	0.50
2-Hydroxybutyric 17	ME897979	0.46	1.22	0.59	0.61	1.38	0.77	0.91	0.61	0.75	0.61	1.07	1.06	0.78	0.46	0.76	0.71	1.63	1.20	1.63	1.33	0.92	2.50
3-Hydroxybutyric 59	ME897981	0.64	0.50	0.20	0.45	1.55	1.79	0.24	0.75	1.36	0.94	1.17	1.08	1.01	0.67	0.36	0.50	2.36	1.56	0.86	1.02	1.68	1.89
3-Hydroxybutyric 17	ME897978	0.69	0.45	0.99	1.06	0.98	1.33	0.45	0.30	0.15	0.53	1.67	1.29	1.29	1.13	0.76	0.92	0.79	3.26	0.44	1.42	1.26	1.17
Ketoglutaric 101	ME897998	1.80	1.14	1.06	1.36	1.29	1.08	0.72	0.51	0.47	1.91	1.62	0.98	1.68	1.84	1.40	0.94	0.80	0.69	0.02	0.46	0.63	0.57
Ketoglutaric 57	ME897999	1.81	1.09	1.08	1.31	1.22	1.02	0.80	0.61	0.56	1.76	1.61	0.89	1.60	1.72	1.44	0.93	0.84	0.71	0.06	0.55	0.73	0.58
Palmitoleic PAR	ME898032	1.21	1.11	1.51	0.65	1.30	0.75	0.58	0.80	0.88	1.78	2.04	1.20	0.44	0.74	0.57	1.34	1.60	1.37	0.08	0.77	1.15	1.10
Formic PAR	ME897969	0.99	1.19	2.27	1.13	1.30	0.66	0.45	0.96	0.95	0.59	0.53	0.98	0.90	0.68	0.85	0.99	0.67	1.28	0.48	0.77	1.46	0.82
Ascorbic 79	ME898013	0.58	1.24	0.71	1.24	1.34	0.62	1.23	2.09	1.33	0.49	0.73	0.76	0.66	0.72	1.06	1.39	1.32	1.30	0.12	1.26	1.36	1.34
Myristic PAR	ME898025	0.80	1.61	1.27	0.56	1.96	0.86	0.83	1.07	1.47	1.13	1.77	0.70	0.58	1.04	0.76	1.05	1.28	0.84	0.67	0.56	1.13	0.95
Palmitic PAR	ME898033	0.80	1.54	0.94	0.54	1.64	0.98	1.67	1.30	1.99	0.80	1.07	1.02	0.78	1.20	1.15	0.95	1.07	0.89	0.09	0.87	0.93	0.70
Stearic PAR	ME898036	1.00	1.50	1.45	0.73	1.40	0.82	1.46	1.24	1.84	1.13	0.74	0.84	0.60	1.30	1.00	1.17	1.26	0.79	0.15	0.75	0.81	0.96
Citrulline 131	ME898011	1.68	1.31	1.24	1.31	1.19	1.67	1.26	1.05	1.06	0.85	0.74	0.87	0.74	0.83	0.84	1.37	1.14	1.71	0.26	0.56	0.66	0.63
Glutamic acid 102	ME898000	1.35	1.10	1.11	1.31	1.32	1.42	1.35	0.98	1.02	1.10	1.14	0.77	1.14	1.12	0.90	0.89	0.67	0.78	0.17	1.35	1.04	0.99
Glutamic acid 128	ME898001	1.44	1.10	1.11	1.33	1.37	1.44	1.39	0.97	1.02	1.09	1.16	0.73	1.14	1.10	0.88	0.85	0.61	0.76	0.16	1.37	1.02	0.97
Oxaloacetic 87	ME897992	1.71	1.80	1.02	1.49	1.90	1.72	0.19	0.72	0.05	1.15	2.06	0.98	0.89	0.60	0.51	1.14	0.91	1.81	0.31	0.31	1.45	0.17
Formyl-CoA 408	ME898062	1.82	0.95	0.30	0.91	1.90	2.09	0.56	0.28	0.59	0.33	1.00	0.38	1.37	0.61	0.88	1.04	0.71	1.26	0.37	2.26	1.67	0.37
Formyl-CoA 79	ME898061	1.03	1.22	0.97	0.81	1.38	2.05	0.69	0.46	0.65	1.30	1.09	1.06	0.90	0.50	0.66	0.72	0.90	0.64	0.24	2.12	1.73	1.71
Citric 173	ME898024	1.19	0.94	0.98	2.25	1.85	2.11	0.21	0.14	0.13	1.09	1.15	0.86	1.05	0.94	0.86	1.21	0.97	1.03	0.00	1.08	1.22	1.25
NADPH 328	ME898056	1.03	0.92	0.87	2.02	1.37	1.85	0.39	0.30	0.32	1.27	1.12	0.95	0.56	0.59	0.40	0.98	1.16	0.83	NA	1.39	1.43	1.26
NADPH 408	ME898055	1.16	0.99	0.91	2.24	1.51	2.06	0.43	0.32	0.32	1.39	1.23	1.06	0.61	0.65	0.47	1.01	1.31	0.97	0.00	1.44	1.53	1.39
Asparagine 113	ME897993	0.86	0.74	0.65	1.66	1.77	1.75	1.00	0.83	0.79	1.13	1.34	0.92	0.83	0.66	0.64	1.93	1.73	1.67	0.27	0.68	0.58	0.57
Aspartic 115	ME897995	1.15	0.93	0.82	1.73	2.07	1.80	0.65	0.41	0.43	0.97	1.05	0.76	0.83	0.88	0.62	1.62	1.33	1.54	1.00	0.72	0.85	0.85
Aspartic 88	ME897994	1.18	0.95	0.86	1.80	2.08	1.86	0.58	0.36	0.40	0.96	1.03	0.73	0.80	0.85	0.62	1.58	1.29	1.57	1.05	0.70	0.89	0.86
FAD 408	ME898060	0.47	0.61	0.65	1.37	1.19	1.29	0.36	0.44	0.51	0.69	0.65	0.62	0.55	0.39	0.51	2.05	2.16	2.02	0.00	1.45	1.73	1.80
FAD 79	ME898059	0.63	0.64	0.70	1.44	1.32	1.29	0.48	0.47	0.57	0.70	0.70	0.67	0.54	0.52	0.52	2.28	2.29	2.11	0.00	1.54	1.77	1.83
Fumaric 71	ME897982	1.22	0.66	0.52	1.79	1.48	1.48	0.31	0.13	0.10	1.24	1.25	0.69	1.24	1.31	0.89	2.07	1.69	1.69	0.02	0.92	1.12	1.16
Malic 115	ME897996	1.21	0.67	0.56	1.78	1.52	1.48	0.32	0.12	0.11	1.29	1.26	0.65	1.27	1.29	0.90	2.00	1.61	1.64	0.00	0.93	1.21	1.18
Malic 71	ME897997	1.22	0.66	0.56	1.76	1.52	1.49	0.32	0.12	0.11	1.30	1.26	0.64	1.26	1.32	0.90	2.03	1.65	1.63	0.00	0.92	1.18	1.18
NAD+ 273	ME898052	0.91	0.88	0.89	1.50	1.48	1.54	0.33	0.24	0.27	0.75	0.83	0.78	0.92	0.83	0.85	1.58	1.43	1.41	0.00	1.52	1.47	1.57
NAD+ 540	ME898051	0.94	0.90	0.92	1.56	1.53	1.58	0.34	0.25	0.29	0.79	0.86	0.84	0.94	0.89	0.90	1.67	1.50	1.47	0.00	1.61	1.55	1.66
Methylcrotonyl-CoA 408	ME898070	0.45	0.32	0.32	1.91	1.57	1.59	0.45	0.28	0.34	0.59	0.71	0.47	1.19	1.15	1.00	1.71	1.72	1.62	NA	1.34	1.73	1.51
Methylcrotonyl-CoA 79	ME898069	0.53	0.45	0.45	1.98	1.55	1.68	0.48	0.38	0.40	0.53	0.74	0.56	1.16	1.19	1.27	1.77	1.65	1.70	0.01	1.31	1.64	1.58

Factors:

F1	Sample source:CAL120 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM GSK214069
F2	Sample source:CAL120 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate
F3	Sample source:CAL120 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate + 1 uM GSK214069
F4	Sample source:HCC1806 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM GSK214069
F5	Sample source:HCC1806 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate
F6	Sample source:HCC1806 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate + 1 uM GSK214069
F7	Sample source:HS578T breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM GSK214069
F8	Sample source:HS578T breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate
F9	Sample source:HS578T breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate + 1 uM GSK214069
F10	Sample source:MCF7 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM GSK214069
F11	Sample source:MCF7 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate
F12	Sample source:MCF7 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate + 1 uM GSK214069
F13	Sample source:MDA-MB-231 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM GSK214069
F14	Sample source:MDA-MB-231 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate
F15	Sample source:MDA-MB-231 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate + 1 uM GSK214069
F16	Sample source:MDA-MB-468 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM GSK214069
F17	Sample source:MDA-MB-468 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate
F18	Sample source:MDA-MB-468 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate + 1 uM GSK214069
F19	Sample source:NA \| Sample Type:QC \| Drug Treatment:NA
F20	Sample source:SUM159PT breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM GSK214069
F21	Sample source:SUM159PT breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate
F22	Sample source:SUM159PT breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 mM dimethylmalonate + 1 uM GSK214069

Data matrix