Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003148)

(Analysis AN005165)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7
Malonic acid C12 PARENT	ME824020	0.02	4.79	0.06	0.04	2.32	0.03	0.05
Malonyl-CoA C12 PARENT	ME823995	0.05	4.01	0.11	NA	0.82	0.01	NA
Glycerol 3-phosphate C12 PARENT	ME824098	4.94	1.12	0.66	0.34	0.16	0.11	0.00
Lactate C12 PARENT	ME824146	5.10	0.74	0.64	0.32	0.10	0.09	0.01
Dihydroxyacetone phosphate C12 PARENT	ME824094	4.58	0.84	0.21	0.25	0.08	0.04	NA
D-Sedoheptulose 7-phosphate C12 PARENT	ME824086	4.67	0.44	0.42	0.21	0.13	0.13	NA
Dihydroxyacetone phosphate C13-label-1	ME824095	4.02	0.77	0.10	0.49	0.16	0.17	NA
Glycerol 3-phosphate C13-label-1	ME824099	3.52	0.84	0.53	0.63	0.29	0.20	NA
Lactate C13-label-1	ME824147	3.53	0.91	0.84	0.69	0.34	0.34	0.01
Succinate C13-label-3	ME824027	0.02	0.21	0.08	0.07	4.81	1.14	0.00
alpha-Ketoglutaric acid C12 PARENT	ME824159	0.14	0.64	0.43	0.08	3.32	2.38	0.02
alpha-Ketoglutaric acid C13-label-5	ME824164	0.21	0.38	0.26	0.03	3.63	2.14	0.01
Citrate C13-label-6	ME824059	0.07	0.05	0.07	0.40	3.44	1.96	NA
alpha-Ketoglutaric acid C13-label-2	ME824161	0.03	0.06	0.06	0.03	3.32	2.50	NA
alpha-Ketoglutaric acid C13-label-3	ME824162	0.02	0.11	0.13	0.02	3.15	2.24	NA
Succinate C12 PARENT	ME824024	0.18	2.83	1.03	0.16	2.49	0.58	0.05
Succinate C13-label-1	ME824025	0.12	2.91	1.07	0.06	2.11	0.72	0.01
Succinate C13-label-2	ME824026	0.09	1.25	0.43	0.07	3.62	0.88	0.00
Malonyl-CoA C13-label-2	ME823997	NA	1.21	0.02	0.04	2.72	0.04	NA
Succinate C13-label-4	ME824028	NA	1.44	0.20	NA	2.47	0.38	NA
Lactate C13-label-3	ME824149	0.03	0.01	0.01	4.50	0.79	0.68	NA
Glycerol 3-phosphate C13-label-2	ME824100	0.01	NA	NA	2.45	0.54	0.34	NA
Dihydroxyacetone phosphate C13-label-2	ME824096	NA	0.10	0.10	3.01	0.96	0.53	NA
Lactate C13-label-2	ME824148	NA	0.02	0.01	2.94	0.71	0.66	NA
Myristic acid C13-label-2	ME824167	2.66	0.11	3.12	0.45	0.08	0.23	0.01
Palmitic acid C13-label-2	ME824182	1.97	0.50	3.59	0.51	0.34	0.35	0.05
Palmitic acid C13-label-3	ME824183	1.44	0.11	3.77	0.29	0.09	0.30	NA
Palmitic acid C13-label-4	ME824184	2.77	0.01	1.70	0.67	0.01	0.51	NA
Oleic acid C13-label-4	ME824237	1.62	0.09	2.75	0.36	0.32	0.56	NA
Butanoyl-CoA C12 PARENT	ME824060	1.76	0.06	2.40	0.42	0.08	0.35	NA
Stearic acid C13-label-4	ME824218	2.04	0.04	2.18	0.37	0.30	0.43	NA
Oleic acid C13-label-5	ME824238	0.78	NA	2.11	0.23	NA	0.62	NA
Butanoyl-CoA C13-label-1	ME824061	1.36	NA	2.11	0.27	NA	0.26	NA
Myristic acid C13-label-3	ME824168	1.28	NA	2.17	0.30	NA	0.25	NA
Palmitoleic acid C13-label-4	ME824201	1.79	NA	1.40	0.48	NA	0.32	NA
Palmitic acid C13-label-5	ME824185	1.41	NA	1.26	0.55	NA	0.78	NA
Palmitoleic acid C13-label-5	ME824202	1.28	NA	1.60	0.45	NA	0.67	NA
Stearic acid C13-label-5	ME824219	1.14	NA	1.79	0.17	NA	0.63	NA
Citrate C12 PARENT	ME824053	0.70	3.35	2.08	0.20	0.51	0.38	0.09
Citrate C13-label-1	ME824054	0.71	2.97	2.18	0.12	0.81	0.54	0.01
L-Glutamine C13-label-4	ME824261	1.51	2.13	1.67	0.23	0.26	0.20	NA
L-Glutamine C13-label-5	ME824262	1.80	2.54	1.97	0.01	0.01	0.01	0.00
Pyruvate C12 PARENT	ME824150	3.01	1.90	1.65	0.14	0.12	0.17	0.02
NADH C13-label-2	ME824104	1.84	1.49	0.72	0.87	0.68	0.40	NA
Pyruvate C13-label-1	ME824151	2.38	1.57	1.43	0.22	0.29	0.45	0.01
NADH C12 PARENT	ME824102	2.30	1.80	0.90	0.54	0.28	0.18	NA
NADH C13-label-1	ME824103	2.27	1.83	0.88	0.53	0.30	0.19	NA
Oleic acid C13-label-3	ME824236	0.26	0.28	2.14	0.59	1.45	1.29	NA
Stearic acid C13-label-3	ME824217	0.71	0.47	2.10	0.52	1.49	0.72	NA
Stearic acid C13-label-2	ME824216	1.02	0.92	1.72	0.82	1.84	0.93	0.07
Malate C13-label-4	ME824256	1.33	1.08	1.27	0.28	1.15	0.88	NA
Oleic acid C13-label-2	ME824235	0.86	0.98	1.35	0.89	1.34	1.24	0.02
L-Glutamine C13-label-3	ME824260	1.02	0.96	0.78	0.93	1.30	1.01	NA
Malate C13-label-2	ME824254	1.14	0.83	1.07	0.56	1.23	1.17	NA
NAD+ C12 PARENT	ME824124	1.03	1.49	2.45	0.27	0.34	0.42	NA
NAD+ C13-label-1	ME824125	1.01	1.46	2.42	0.26	0.38	0.46	NA
NAD+ C13-label-2	ME824126	0.29	1.02	1.89	0.48	0.95	1.14	NA
L-Aspartic acid C13-label-1	ME824155	0.45	1.62	1.77	0.42	1.04	1.03	0.00
L-Aspartic acid C13-label-4	ME824158	0.40	1.33	1.59	0.14	1.25	1.29	NA
L-Glutamate C12 PARENT	ME824263	0.65	2.39	1.87	0.68	0.94	0.80	0.00
L-Glutamate C13-label-1	ME824264	0.56	2.10	1.98	0.33	0.91	0.79	0.00
Malate C12 PARENT	ME824252	1.20	2.05	1.94	0.71	0.53	0.57	0.00
ADP C13-label-1	ME824281	0.92	1.48	1.73	0.50	0.74	0.63	NA
AMP C12 PARENT	ME824291	0.74	1.52	1.82	0.44	0.88	0.60	NA
AMP C13-label-1	ME824292	0.74	1.44	1.72	0.41	1.05	0.64	NA
ADP C12 PARENT	ME824280	1.10	1.72	1.91	0.58	0.72	0.64	0.00
Malate C13-label-1	ME824253	0.90	1.78	2.05	0.37	0.78	0.80	0.00
Myristic acid C12 PARENT	ME824165	1.25	1.24	1.81	0.92	0.83	0.77	0.39
Myristic acid C13-label-1	ME824166	1.15	1.13	2.23	0.84	0.75	0.74	0.36
L-Aspartic acid C12 PARENT	ME824154	0.96	1.67	1.45	1.01	1.17	1.07	0.00
Palmitic acid C12 PARENT	ME824180	1.18	1.63	1.57	1.01	0.93	0.73	0.21
Palmitic acid C13-label-1	ME824181	1.15	1.62	1.72	0.97	0.90	0.71	0.19
Palmitoleic acid C12 PARENT	ME824197	1.22	1.74	1.31	1.09	0.80	0.82	0.01
Palmitoleic acid C13-label-1	ME824198	1.11	1.64	1.36	1.04	0.75	0.77	0.01
Stearic acid C12 PARENT	ME824214	1.20	1.72	1.34	1.01	1.01	0.79	0.19
Stearic acid C13-label-1	ME824215	1.17	1.73	1.40	1.00	1.02	0.77	0.18
Oleic acid C12 PARENT	ME824233	1.19	1.88	1.21	1.06	0.98	0.90	0.08
Oleic acid C13-label-1	ME824234	1.12	1.78	1.20	1.02	0.94	0.86	0.07
L-Glutamate C13-label-5	ME824268	1.41	1.64	1.46	0.35	0.92	0.90	0.00
ATP C13-label-1	ME824270	1.45	1.29	1.54	0.81	0.81	0.77	0.00
ATP C12 PARENT	ME824269	1.34	1.71	1.57	0.77	0.64	0.64	0.00
Acetyl-CoA C12 PARENT	ME824029	1.21	1.56	1.58	0.61	0.54	0.50	NA
Acetyl-CoA C13-label-1	ME824030	1.09	1.48	1.49	0.63	0.70	0.62	NA
ADP C13-label-4	ME824284	NA	NA	0.03	0.38	1.94	1.34	0.00
alpha-Ketoglutaric acid C13-label-4	ME824163	NA	0.01	0.01	0.02	2.19	1.45	NA
ATP C13-label-2	ME824271	NA	NA	NA	0.16	1.39	1.22	0.00
ATP C13-label-4	ME824273	NA	NA	NA	0.46	1.54	1.33	0.00
ATP C13-label-3	ME824272	NA	NA	NA	0.56	1.47	1.31	0.00
ATP C13-label-5	ME824274	NA	NA	NA	0.65	1.45	1.23	0.00
Acetyl-CoA C13-label-4	ME824033	0.05	0.05	0.06	0.86	1.49	1.60	NA
ATP C13-label-6	ME824275	NA	NA	NA	0.79	1.03	1.50	0.00
L-Glutamate C13-label-4	ME824267	0.18	0.22	0.21	0.89	2.18	2.33	NA
NAD+ C13-label-4	ME824128	NA	0.05	0.08	0.80	1.89	2.19	NA
L-Aspartic acid C13-label-3	ME824157	0.68	0.25	0.59	0.37	2.05	2.06	NA
NAD+ C13-label-3	ME824127	0.18	0.51	0.85	0.86	1.60	2.00	NA
ADP C13-label-3	ME824283	0.41	0.26	0.59	0.85	2.04	2.00	0.03
L-Glutamate C13-label-2	ME824265	0.39	0.57	0.68	0.78	1.90	1.68	NA
alpha-Ketoglutaric acid C13-label-1	ME824160	0.04	0.42	0.32	NA	2.35	1.86	NA
Citrate C13-label-5	ME824058	0.50	0.66	0.43	0.37	2.52	1.52	NA
L-Aspartic acid C13-label-2	ME824156	0.31	0.95	1.23	0.26	1.45	1.81	NA
L-Glutamate C13-label-3	ME824266	0.55	1.07	1.07	0.49	1.70	1.44	0.00
Citrate C13-label-3	ME824056	0.65	0.81	0.73	0.29	2.10	1.40	NA
Citrate C13-label-2	ME824055	0.46	1.00	0.85	0.36	1.96	1.37	NA
Citrate C13-label-4	ME824057	0.37	0.97	0.76	0.29	2.21	1.41	NA
NADH C13-label-5	ME824107	0.01	0.00	0.00	3.00	1.82	1.17	NA
Pyruvate C13-label-3	ME824153	0.01	0.01	0.01	2.89	1.57	1.84	0.00
NADH C13-label-4	ME824106	NA	0.03	0.01	1.84	1.74	1.06	NA
NADH C13-label-3	ME824105	0.25	0.79	0.46	1.94	1.57	0.98	NA
L-Glutamine C13-label-1	ME824258	0.39	0.62	0.49	1.41	1.66	1.43	NA
L-Glutamine C13-label-2	ME824259	0.63	0.39	0.39	1.61	1.65	1.32	NA
Acetyl-CoA C13-label-2	ME824031	0.49	0.32	0.44	1.79	1.34	1.63	NA
Acetyl-CoA C13-label-3	ME824032	0.32	0.25	0.15	1.59	1.51	1.68	NA
L-Glutamine C12 PARENT	ME824257	0.33	0.51	0.38	1.98	2.22	1.92	0.00
Pyruvate C13-label-2	ME824152	0.21	0.04	0.14	2.19	1.43	1.99	NA
Malate C13-label-3	ME824255	1.97	0.17	0.44	0.73	1.41	1.26	NA
Palmitic acid C13-label-6	ME824186	2.20	NA	0.41	1.22	0.02	1.15	NA
Myristic acid C13-label-6	ME824171	1.42	NA	0.16	1.38	NA	1.04	NA
Palmitoleic acid C13-label-6	ME824203	1.71	NA	0.40	0.97	NA	0.92	NA
Myristic acid C13-label-4	ME824169	2.05	NA	0.74	0.72	NA	0.49	NA
Stearic acid C13-label-6	ME824220	1.93	NA	0.65	0.60	NA	0.82	NA
Butanoyl-CoA C13-label-2	ME824062	1.29	NA	0.96	1.03	NA	0.73	NA
Myristic acid C13-label-5	ME824170	1.38	NA	0.73	0.82	NA	1.07	NA
Oleic acid C13-label-6	ME824239	1.75	NA	0.96	0.75	0.06	1.17	NA
ATP C13-label-7	ME824276	NA	NA	NA	1.17	0.31	1.62	0.00
Palmitic acid C13-label-10	ME824190	0.44	NA	NA	1.49	0.01	2.06	NA
Palmitic acid C13-label-12	ME824192	0.14	NA	NA	1.25	0.01	1.94	NA
Oleic acid C13-label-9	ME824242	0.37	NA	0.14	0.61	NA	2.31	NA
Stearic acid C13-label-10	ME824224	0.61	NA	NA	0.99	0.05	2.03	NA
Palmitic acid C13-label-9	ME824189	0.32	NA	NA	0.99	0.03	2.02	NA
Oleic acid C13-label-10	ME824243	0.43	NA	NA	0.85	0.03	2.05	NA
Palmitoleic acid C13-label-9	ME824206	0.41	NA	0.10	0.87	NA	2.02	NA
Butanoyl-CoA C13-label-3	ME824063	0.77	NA	0.78	1.04	NA	1.41	NA
Oleic acid C13-label-7	ME824240	0.93	NA	0.76	0.50	NA	1.81	NA
Stearic acid C13-label-7	ME824221	1.18	NA	0.52	0.47	NA	1.67	NA
Stearic acid C13-label-8	ME824222	1.46	NA	0.13	1.06	0.05	1.69	NA
Palmitoleic acid C13-label-7	ME824204	1.11	NA	0.39	0.83	NA	1.66	NA
Oleic acid C13-label-8	ME824241	1.08	NA	0.21	0.88	NA	1.83	NA
Palmitic acid C13-label-7	ME824187	1.04	NA	0.28	0.98	NA	1.69	NA
Palmitic acid C13-label-8	ME824188	1.25	NA	0.08	1.68	0.02	1.98	NA
Myristic acid C13-label-8	ME824173	0.53	NA	0.02	1.43	NA	1.37	NA
Myristic acid C13-label-7	ME824172	0.74	NA	0.09	1.21	NA	1.65	NA
Palmitoleic acid C13-label-8	ME824205	1.08	NA	0.09	1.28	NA	1.56	NA

Factors:

F1	Sample source:BT-474 \| Isotopic Tracer:[13C5] L-glutamine \| Drug Treatment:1 uM Fasnall
F2	Sample source:BT-474 \| Isotopic Tracer:[13C5] L-glutamine \| Drug Treatment:1 uM GSK2194069
F3	Sample source:BT-474 \| Isotopic Tracer:[13C5] L-glutamine \| Drug Treatment:Vehicle
F4	Sample source:BT-474 \| Isotopic Tracer:[13C6] D-glucose \| Drug Treatment:1 uM Fasnall
F5	Sample source:BT-474 \| Isotopic Tracer:[13C6] D-glucose \| Drug Treatment:1 uM GSK2194069
F6	Sample source:BT-474 \| Isotopic Tracer:[13C6] D-glucose \| Drug Treatment:Vehicle
F7	Sample source:BT-474 \| Isotopic Tracer:NA \| Drug Treatment:NA

Data matrix