Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003367)

(Analysis AN005518)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17
HEPES 107	ME881871	0.53	0.67	0.54	0.63	0.54	0.54	0.53	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0.02	19.86
HEPES 80	ME881870	0.70	0.62	0.54	0.59	0.64	0.58	0.57	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.00	0.00	19.55
aCD 161	ME881906	NA	0.43	0.44	0.44	0.89	0.91	0.88	0.77	0.35	0.39	0.44	0.93	8.01	0.90	0.76	0.80	1.61
Uric 124	ME881860	0.77	0.85	0.70	0.52	0.47	0.46	0.55	1.54	1.94	2.00	1.41	1.64	1.61	1.58	1.37	1.52	0.02
Uric 96	ME881861	0.61	0.76	0.65	0.42	0.38	0.41	0.42	1.27	1.76	1.73	1.40	1.49	1.46	1.34	1.13	1.32	NA
Penicillin G 289	ME881874	0.72	0.87	0.78	0.69	0.70	0.56	0.56	1.50	1.50	1.50	1.47	1.50	1.49	1.48	2.02	2.08	0.00
Cystine 120	ME881872	0.62	0.80	0.86	0.56	0.61	0.50	0.49	1.59	1.54	1.59	1.53	1.56	1.57	1.54	1.66	1.65	0.56
Cystine 74	ME881873	0.61	0.78	0.86	0.54	0.62	0.51	0.49	1.56	1.54	1.60	1.49	1.53	1.57	1.56	1.62	1.70	0.56
Butyric PAR	ME881839	NA	0.22	NA	0.12	NA	0.25	NA	1.26	1.29	1.25	1.14	1.06	1.10	1.13	0.89	1.06	1.26
Phenol Red 195	ME881876	0.33	0.43	0.37	0.31	0.32	0.25	0.26	1.42	1.42	1.53	1.42	1.46	1.47	1.47	1.40	1.43	2.66
Folic 311	ME881878	0.47	0.61	0.53	0.42	0.45	0.35	0.37	1.55	1.53	1.54	1.60	1.61	1.47	1.53	1.45	1.44	2.85
Phenol Red 93	ME881875	0.37	0.46	0.42	0.33	0.37	0.27	0.30	1.56	1.59	1.69	1.57	1.61	1.59	1.63	1.55	1.59	2.93
Formic PARENT	ME881834	0.52	0.89	0.45	0.79	1.13	0.59	0.40	1.35	1.33	1.39	1.28	1.23	1.10	1.39	1.23	1.15	2.49
Glucose 59	ME881865	0.66	0.85	0.75	0.62	0.62	0.47	0.49	1.40	1.40	1.47	1.40	1.40	1.42	1.42	1.48	1.52	2.14
Glucose 71	ME881866	0.61	0.80	0.70	0.57	0.57	0.43	0.45	1.39	1.39	1.44	1.39	1.41	1.41	1.41	1.47	1.52	2.28
Cysteine PARENT	ME881846	1.57	1.46	2.72	2.33	1.59	1.89	3.05	0.26	0.06	0.05	0.56	0.24	0.05	0.46	0.26	0.06	0.09
Citric 111	ME881868	1.77	1.71	1.65	1.86	1.93	1.79	1.62	0.00	0.00	0.00	0.00	0.00	0.00	0.00	NA	0.00	0.00
Methylcrotonyl-CoA 408	ME881898	1.90	2.07	1.71	2.27	1.90	2.13	1.96	0.01	0.00	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.00
Lauroyl-CoA 408	ME881905	3.15	2.92	1.68	2.80	2.44	2.47	1.29	0.08	0.03	0.03	0.07	0.06	0.05	0.06	0.14	0.03	0.08
Oleoyl-CoA (18:1) 79	ME881911	2.01	3.14	2.09	2.87	1.97	3.10	2.14	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Myristoyl-CoA 408	ME881908	2.54	3.61	2.17	2.57	2.05	2.62	1.72	0.01	0.00	0.01	0.01	0.01	0.00	0.01	0.01	0.00	0.01
Palmitoyl-CoA (16:0) 79	ME881910	2.58	3.14	2.34	2.80	2.01	2.70	1.76	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
NADPH 408	ME881885	2.87	3.00	2.49	2.78	2.48	1.82	2.93	0.05	0.02	0.04	0.02	0.02	0.05	0.04	0.05	0.02	0.04
Propionic PARENT	ME881836	2.73	1.83	2.41	2.34	1.90	2.58	2.10	0.18	0.20	0.41	0.03	0.16	0.09	0.22	0.02	0.02	0.04
Malonyl-CoA 408	ME881899	3.09	2.75	2.24	2.34	2.38	2.22	2.23	0.00	0.00	0.00	0.01	0.01	0.01	0.01	0.01	0.01	0.01
NADH 408	ME881883	3.16	3.02	1.94	2.35	2.41	2.12	2.34	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Octanoyl-CoA 79	ME881902	2.21	2.85	1.99	2.61	1.97	2.34	1.96	0.05	0.06	0.10	0.09	0.07	0.14	0.12	0.13	0.08	0.09
Oxaloacetic 87	ME881848	2.05	2.87	2.14	2.60	1.83	2.29	2.37	0.20	0.18	0.20	0.20	0.20	0.12	0.13	0.01	0.02	0.01
Succinyl-CoA 408	ME881901	2.38	1.97	1.94	2.38	2.13	2.32	2.15	0.00	0.00	NA	0.00	0.00	0.01	0.01	0.01	0.00	0.01
Acetyl-CoA 461	ME881893	2.30	2.24	2.04	2.45	2.29	2.22	2.10	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
FAD 408	ME881890	2.33	2.30	1.92	2.28	2.06	2.16	2.24	0.01	0.00	0.00	0.00	0.00	0.00	0.01	0.01	0.01	NA
Ketoglutaric 57	ME881855	2.51	2.19	2.12	1.99	2.34	2.19	2.32	0.05	0.05	0.07	0.09	0.12	0.06	0.06	NA	0.09	0.11
Alanine NEG PAR	ME881838	2.37	2.44	2.23	2.37	2.27	2.30	2.11	0.14	0.16	0.18	0.17	0.16	0.17	0.16	0.04	0.04	0.13
Ketoglutaric 101	ME881854	2.42	2.40	2.17	2.24	2.27	2.02	2.21	0.17	0.22	0.18	0.22	0.24	0.21	0.19	0.12	0.09	0.03
Coenzyme A 79	ME881887	2.58	2.57	2.10	2.53	2.41	2.58	2.54	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
FAD 79	ME881889	2.61	2.73	2.10	2.60	2.32	2.46	2.49	0.00	0.01	0.01	0.00	0.00	0.00	0.01	0.01	0.01	0.00
Fumaric 71	ME881843	2.37	2.71	2.32	2.47	2.28	2.40	2.48	0.04	0.04	0.04	0.03	0.04	0.03	0.04	0.02	0.02	0.01
Malic 115	ME881852	2.38	2.67	2.33	2.44	2.26	2.43	2.46	0.05	0.04	0.05	0.05	0.04	0.05	0.05	0.03	0.03	0.01
Malic 71	ME881853	2.37	2.68	2.33	2.46	2.26	2.42	2.48	0.04	0.04	0.05	0.04	0.05	0.05	0.04	0.03	0.02	0.01
Taurine 80	ME881847	2.48	2.51	2.37	2.51	2.47	2.47	2.34	0.02	0.02	0.03	0.03	0.03	0.03	0.03	0.01	0.01	0.00
Methylcrotonyl-CoA 79	ME881897	2.47	2.57	2.27	2.55	2.39	2.57	2.43	0.01	0.00	0.01	0.01	0.01	0.00	0.01	0.01	0.01	0.00
NAD+ 540	ME881881	2.54	2.54	2.34	2.50	2.41	2.56	2.43	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Acetyl-CoA 79	ME881891	2.47	2.41	2.21	2.70	2.60	2.56	2.37	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
HMG-CoA 408	ME881903	2.20	2.33	2.14	2.63	2.68	2.66	2.28	0.01	0.00	0.00	0.00	0.01	0.00	0.01	0.02	0.01	0.01
Propionyl-CoA 408	ME881894	2.53	2.26	2.24	2.69	2.44	2.26	2.36	0.06	0.07	0.06	0.04	0.05	0.05	0.06	0.07	0.05	0.03
Acetyl-CoA 408	ME881892	2.41	2.35	2.10	2.57	2.43	2.48	2.31	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Coenzyme A 408	ME881888	2.41	2.42	1.98	2.46	2.40	2.31	2.35	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Palmitoleyl-CoA (16:1) 79	ME881909	2.41	3.08	2.13	2.72	2.14	2.61	2.21	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Butyryl-CoA 408	ME881896	2.59	2.80	2.23	2.36	2.19	2.35	2.10	0.01	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.01	0.00
Butyryl-CoA 79	ME881895	2.69	2.96	2.32	2.46	2.23	2.34	2.25	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.00	0.01	0.01
Succinic 73	ME881844	3.33	2.79	2.23	1.81	1.70	2.08	2.11	0.16	0.15	0.14	0.15	0.14	0.14	0.15	0.13	0.14	0.07
Succinic 99	ME881845	3.24	2.75	2.19	1.72	1.65	2.06	2.11	0.18	0.17	0.17	0.17	0.20	0.21	0.17	0.10	0.15	0.09
GSSG 179	ME881880	2.97	2.10	2.19	1.84	2.52	1.62	2.07	0.00	0.00	0.01	0.00	0.00	0.01	0.00	0.00	0.00	NA
GSSG 306	ME881879	3.24	2.43	2.45	2.14	3.02	1.66	2.36	0.00	0.01	0.01	0.00	0.01	0.01	0.01	0.01	0.00	0.00
Pyruvic 32	ME881837	1.81	1.95	1.83	1.95	1.89	1.72	1.64	0.32	0.37	0.39	0.40	0.37	0.40	0.36	0.01	0.01	2.88
Riboflavin 243	ME881877	1.01	1.35	1.55	1.36	1.55	1.21	0.91	0.89	0.94	0.90	0.80	1.05	0.77	0.87	0.53	0.81	1.88
Phenylalanine 147	ME881858	1.27	1.55	1.41	1.32	1.25	1.20	1.17	0.85	0.84	0.89	0.85	0.85	0.86	0.85	0.94	0.99	1.80
Phenylalanine 72	ME881859	1.20	1.48	1.33	1.23	1.19	1.14	1.10	0.80	0.78	0.84	0.79	0.79	0.79	0.79	0.88	0.93	1.79
Arginine 131	ME881862	0.95	1.16	1.05	0.88	0.90	0.72	0.76	1.26	1.29	1.34	1.27	1.27	1.29	1.27	1.27	1.32	0.99
Arginine 156	ME881863	0.94	1.16	1.05	0.87	0.89	0.70	0.74	1.27	1.29	1.35	1.28	1.28	1.29	1.28	1.27	1.33	0.98
Citrulline 131	ME881864	1.48	1.40	1.38	1.28	1.13	1.05	1.18	1.02	1.07	1.06	1.03	1.02	0.99	1.02	0.98	1.06	0.20
myo-Inositol 161	ME881867	1.28	1.42	1.29	1.25	1.29	1.26	1.31	1.03	0.96	0.99	1.01	1.01	0.99	0.97	1.03	1.01	0.48
Citric 173	ME881869	1.15	1.10	1.07	1.21	1.26	1.17	1.05	NA	NA	0.00	NA	0.00	NA	NA	NA	NA	NA
NAD+ 273	ME881882	1.31	1.32	1.22	1.30	1.25	1.33	1.26	NA	0.00	0.00	NA	NA	0.00	0.00	NA	NA	NA
Malonic 59	ME881842	1.65	0.91	1.70	1.15	2.17	1.04	1.97	0.81	0.70	0.61	0.43	0.66	0.45	0.78	0.45	0.73	0.34
Lactic 71	ME881841	1.50	1.60	1.50	1.52	1.46	1.38	1.30	0.93	0.85	0.87	0.87	0.90	0.89	0.84	0.01	0.02	NA
Lactic 87	ME881840	1.55	1.68	1.57	1.62	1.54	1.46	1.36	0.96	0.94	0.94	0.94	0.96	0.94	0.91	0.03	0.03	0.00
Acetic PAR	ME881835	2.38	1.66	2.00	1.88	1.84	1.68	1.69	0.22	0.34	0.32	0.24	0.26	0.31	0.26	0.19	0.33	0.85
Aspartic 88	ME881850	1.56	1.79	1.75	1.72	1.65	1.67	1.64	0.67	0.69	0.73	0.66	0.68	0.66	0.67	0.67	0.71	0.19
Asparagine 113	ME881849	1.64	1.86	1.77	1.75	1.71	1.70	1.63	0.65	0.65	0.66	0.63	0.64	0.65	0.64	0.67	0.68	0.12
Aspartic 115	ME881851	1.58	1.86	1.76	1.78	1.69	1.70	1.69	0.63	0.64	0.70	0.66	0.66	0.65	0.63	0.62	0.65	0.17
Glutamic acid 102	ME881856	1.86	2.00	1.91	1.95	1.86	1.86	1.86	0.48	0.49	0.53	0.48	0.51	0.49	0.50	0.44	0.44	0.13
Glutamic acid 128	ME881857	1.89	2.12	2.00	2.05	1.90	1.91	1.92	0.42	0.44	0.47	0.43	0.46	0.43	0.43	0.36	0.37	0.17

Factors:

F1	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:100 uM C75
F2	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:15 uM C75
F3	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM C75
F4	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:20 uM C75
F5	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:40 uM C75
F6	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 uM C75
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:100 uM C75
F9	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug Treatment:15 uM C75
F10	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug Treatment:1 uM C75
F11	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug Treatment:20 uM C75
F12	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug Treatment:40 uM C75
F13	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug Treatment:5 uM C75
F14	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug Treatment:Control
F15	Sample source:NA \| Sample Type:Medium \| Drug Treatment:Control
F16	Sample source:NA \| Sample Type:Medium \| Drug Treatment:NA
F17	Sample source:NA \| Sample Type:QC \| Drug Treatment:NA

Data matrix