Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003411)

(Analysis AN005602)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16
HEPES 107	ME895400	0.44	0.40	0.31	0.35	0.40	0.28	0.34	0.01	0.02	0.01	0.02	0.01	0.02	0.01	0.00	22.05
HEPES 80	ME895399	0.43	0.39	0.33	0.37	0.37	0.34	0.34	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.00	22.00
Folic 311	ME895413	0.15	0.19	0.16	0.13	0.15	0.11	0.12	1.44	1.45	1.45	1.42	1.43	1.53	1.47	1.34	7.20
Pyruvic 32	ME895363	0.40	0.44	0.38	0.43	0.42	0.36	0.40	1.30	1.29	1.32	1.27	1.33	1.36	1.53	0.02	7.61
C75 209	ME895403	1.83	0.64	0.03	0.44	0.90	0.10	0.00	4.76	2.33	0.15	2.06	3.37	0.71	0.00	0.00	0.00
Lactic 71	ME895367	0.40	0.42	0.39	0.41	0.38	0.35	0.34	1.84	1.80	1.81	1.79	1.75	1.88	1.71	0.05	0.00
Lactic 87	ME895366	0.47	0.48	0.44	0.46	0.43	0.41	0.39	2.10	2.01	1.99	2.03	1.97	2.12	1.96	0.07	0.00
Propionic PARENT	ME895362	0.20	0.23	0.22	0.25	0.24	0.22	0.20	2.02	2.37	1.44	2.38	2.43	2.25	1.75	1.22	0.00
Uric 124	ME895386	0.21	0.32	0.21	0.23	0.16	0.14	0.17	1.96	2.31	2.44	1.87	2.04	2.23	1.94	1.08	0.01
Uric 96	ME895387	0.19	0.27	0.20	0.22	0.18	0.11	0.17	1.85	2.35	2.13	1.78	1.84	1.94	1.81	0.94	0.00
Cystine 120	ME895401	0.01	0.01	0.01	0.01	0.01	0.00	0.01	2.07	2.08	2.06	2.04	2.07	2.11	2.06	2.25	0.78
Cystine 74	ME895402	0.01	0.01	0.01	0.01	0.01	0.00	0.01	2.07	2.08	2.14	2.02	2.03	2.13	2.05	2.30	0.68
Penicillin G 289	ME895407	0.40	0.51	0.43	0.39	0.38	0.30	0.31	1.77	1.80	1.82	1.79	1.76	1.82	1.77	2.09	0.00
Asparagine 113	ME895375	0.47	0.52	0.66	0.48	0.52	0.51	0.42	1.68	1.68	1.68	1.68	1.66	1.72	1.64	1.78	0.34
Citrulline 131	ME895390	0.50	0.46	0.46	0.43	0.41	0.36	0.37	1.79	1.72	1.78	1.74	1.68	1.82	1.73	1.84	0.33
Formic PARENT	ME895360	0.57	0.21	0.25	0.30	0.56	0.24	0.48	1.10	0.87	2.79	2.72	1.27	1.38	1.51	1.65	1.82
Glucose 59	ME895393	0.24	0.30	0.26	0.21	0.22	0.16	0.17	1.75	1.77	1.78	1.75	1.76	1.79	1.76	1.87	2.32
Glucose 71	ME895394	0.18	0.22	0.20	0.16	0.16	0.12	0.13	1.72	1.75	1.76	1.72	1.72	1.78	1.73	1.89	2.63
Phenol Red 195	ME895409	0.21	0.28	0.23	0.20	0.21	0.15	0.16	1.52	1.54	1.57	1.47	1.49	1.60	1.58	1.50	2.90
Phenol Red 93	ME895408	0.24	0.31	0.26	0.22	0.23	0.17	0.19	1.66	1.72	1.75	1.65	1.65	1.78	1.76	1.66	3.11
Phenylalanine 147	ME895384	0.34	0.41	0.37	0.34	0.33	0.31	0.31	1.56	1.61	1.63	1.57	1.56	1.64	1.60	1.86	2.87
Phenylalanine 72	ME895385	0.33	0.40	0.36	0.34	0.32	0.30	0.31	1.54	1.57	1.61	1.54	1.53	1.64	1.58	1.85	3.15
Riboflavin 243	ME895410	0.39	0.38	0.48	0.42	0.45	0.36	0.39	1.76	1.62	1.66	1.56	1.68	1.74	1.66	1.48	1.76
Arginine 131	ME895388	0.26	0.32	0.29	0.24	0.25	0.19	0.20	1.78	1.82	1.84	1.78	1.79	1.85	1.81	1.83	1.62
Arginine 156	ME895389	0.20	0.24	0.22	0.18	0.19	0.14	0.15	1.82	1.88	1.90	1.83	1.82	1.93	1.86	1.90	1.58
Butyric PAR	ME895365	1.20	0.08	1.08	0.62	1.17	1.05	1.07	0.20	2.34	1.70	0.82	1.08	2.34	0.95	0.23	1.47
Pemetrexed 321	ME895412	0.90	1.04	NA	NA	0.68	NA	NA	0.55	0.89	1.83	0.73	1.17	0.73	0.89	1.20	NA
Ascorbic acid 79	ME895392	NA	0.97	1.27	0.93	NA	0.46	0.59	0.76	0.66	0.63	0.64	0.59	0.72	0.49	0.41	1.05
Succinic 73	ME895370	2.30	2.01	1.68	1.26	1.20	1.54	1.45	0.68	0.69	0.86	0.69	0.71	0.71	0.70	0.61	0.22
Succinic 99	ME895371	2.21	1.97	1.63	1.20	1.20	1.55	1.45	0.67	0.71	0.87	0.73	0.72	0.70	0.69	0.64	0.17
Palmitoleic PAR	ME895404	1.51	1.72	1.44	1.69	1.47	1.39	1.67	0.64	0.70	0.99	0.72	0.72	0.76	0.81	0.94	0.11
Alanine NEG PAR	ME895364	1.68	1.71	1.51	1.60	1.53	1.59	1.42	0.75	0.82	0.83	0.80	0.80	0.86	0.79	0.21	0.66
Ketoglutaric 101	ME895380	1.53	1.63	1.45	1.53	1.45	1.41	1.43	0.87	0.83	1.00	0.90	0.85	1.08	0.98	0.29	0.05
Ketoglutaric 57	ME895381	1.37	1.45	1.30	1.35	1.33	1.32	1.40	0.88	0.83	0.94	1.07	1.03	1.28	0.72	0.69	0.31
myo-Inositol 161	ME895395	0.65	0.73	0.65	0.64	0.63	0.63	0.64	1.48	1.49	1.49	1.46	1.45	1.53	1.47	1.52	1.27
Myristic PAR	ME895398	0.93	0.83	0.77	0.86	0.69	0.73	0.96	1.59	1.61	1.36	1.44	1.58	1.42	1.48	0.63	0.42
Palmitic PAR	ME895405	0.72	0.82	0.80	0.81	0.75	0.66	1.36	1.19	1.23	1.48	1.33	1.40	1.65	1.46	1.53	0.12
Stearic PAR	ME895406	0.71	0.80	0.95	0.84	0.72	0.64	1.16	1.12	1.17	1.69	1.20	1.41	1.32	1.38	1.80	0.29
aCD 161	ME895441	1.32	1.40	0.71	1.48	0.78	0.85	0.68	0.88	0.93	1.32	1.17	1.24	0.85	0.61	0.73	0.99
Pemetrexed 297	ME895411	0.90	0.57	1.24	1.30	1.14	0.95	0.76	1.07	1.07	0.65	1.08	1.04	0.74	1.03	0.80	0.84
Malonic 59	ME895368	1.56	0.83	1.22	0.95	0.58	0.82	1.60	0.92	1.26	1.12	1.25	1.23	0.93	1.03	0.90	0.61
Glutamic acid 102	ME895382	1.16	1.30	1.20	1.23	1.15	1.20	1.18	1.08	1.10	1.10	1.08	1.08	1.11	1.06	1.02	0.44
Glutamic acid 128	ME895383	1.15	1.34	1.18	1.25	1.14	1.19	1.16	1.07	1.16	1.08	1.10	1.09	1.15	1.05	1.00	0.32
Aspartic 115	ME895377	0.89	1.03	0.91	0.97	0.93	0.93	0.94	1.30	1.31	1.30	1.28	1.30	1.32	1.29	1.35	0.43
Aspartic 88	ME895376	0.96	1.09	0.98	1.04	0.98	1.00	1.01	1.23	1.26	1.23	1.26	1.27	1.23	1.23	1.25	0.49
Ascorbic acid 157	ME895391	1.80	1.64	1.44	1.59	1.54	1.47	1.48	0.36	0.40	0.40	0.48	0.40	0.44	0.40	0.31	1.43
Cysteine PARENT	ME895372	1.92	2.18	1.68	2.16	1.99	1.95	1.74	0.28	0.31	0.19	0.36	0.24	0.18	0.33	0.23	2.31
NAD+ 273	ME895417	1.84	1.71	1.62	1.70	1.72	1.75	1.65	0.00	0.00	0.00	0.00	0.00	0.00	0.00	NA	NA
Octanoyl-CoA 79	ME895437	1.61	2.97	2.22	1.95	1.93	1.82	2.66	0.26	0.23	0.16	0.22	0.16	0.16	0.18	0.18	0.10
Lauroyl-CoA 408	ME895440	3.21	2.74	1.93	2.60	2.49	2.26	1.64	0.05	0.03	0.03	0.06	0.05	0.05	0.05	0.05	0.03
Malonyl-CoA 408	ME895434	3.03	2.80	2.20	2.39	2.32	2.33	2.10	0.02	0.01	0.02	0.02	0.01	0.01	0.01	0.02	0.01
Butyryl-CoA 408	ME895431	2.82	3.03	2.25	2.39	2.31	2.31	2.15	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.00
Butyryl-CoA 79	ME895430	2.78	2.96	2.21	2.43	2.23	2.35	2.21	0.01	0.02	0.02	0.02	0.01	0.02	0.03	0.02	0.01
Succinyl-CoA 408	ME895436	2.91	2.13	2.07	2.38	2.78	2.49	2.14	0.04	0.05	0.03	0.05	0.05	0.04	0.05	0.07	0.02
Propionyl-CoA 408	ME895429	2.70	2.48	1.78	2.67	2.65	2.21	2.29	0.06	0.07	0.05	0.04	0.06	0.06	0.08	0.06	0.03
Acetyl-CoA 79	ME895426	2.46	2.47	2.22	2.70	2.56	2.53	2.37	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
HMG-CoA 408	ME895438	2.33	2.37	2.25	2.71	2.63	2.56	2.36	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.01	0.01
Methylcrotonyl-CoA 79	ME895432	2.56	2.47	2.23	2.58	2.39	2.55	2.33	0.03	0.03	0.03	0.02	0.02	0.02	0.02	0.03	0.01
NAD+ 540	ME895416	2.68	2.46	2.34	2.47	2.54	2.47	2.37	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
FAD 79	ME895424	2.64	2.73	2.04	2.58	2.35	2.31	2.47	0.02	0.03	0.03	0.03	0.02	0.03	0.03	0.03	0.00
Coenzyme A 408	ME895423	2.54	2.41	1.84	2.48	2.50	2.36	2.52	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Coenzyme A 79	ME895422	2.69	2.49	1.99	2.58	2.49	2.52	2.55	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
FAD 408	ME895425	2.53	2.45	1.83	2.41	2.10	2.18	2.29	0.03	0.02	0.02	0.03	0.03	0.03	0.02	0.03	NA
Taurine 80	ME895373	2.43	2.43	2.36	2.43	2.36	2.30	2.26	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.05	0.01
Fumaric 71	ME895369	2.36	2.56	2.25	2.41	2.24	2.28	2.30	0.13	0.12	0.11	0.13	0.13	0.12	0.12	0.05	0.02
Malic 115	ME895378	2.35	2.57	2.23	2.38	2.24	2.28	2.34	0.12	0.12	0.12	0.13	0.12	0.13	0.12	0.05	0.02
Malic 71	ME895379	2.35	2.59	2.23	2.41	2.24	2.24	2.33	0.12	0.12	0.12	0.12	0.12	0.12	0.12	0.05	0.01
Citric 111	ME895396	2.30	2.23	2.10	2.37	2.47	2.31	2.07	0.10	0.11	0.12	0.10	0.10	0.12	0.13	0.04	0.00
Citric 173	ME895397	2.24	2.10	2.09	2.28	2.43	2.20	1.97	0.12	0.13	0.15	0.13	0.13	0.15	0.15	0.06	0.00
Methylcrotonyl-CoA 408	ME895433	2.34	2.36	2.09	2.23	2.30	2.62	2.14	0.03	0.02	0.04	0.02	0.03	0.04	0.03	0.03	0.01
Acetyl-CoA 408	ME895427	2.40	2.30	2.13	2.46	2.45	2.37	2.21	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Acetyl-CoA 461	ME895428	2.32	2.24	2.10	2.40	2.41	2.35	2.17	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	NA
Oleoyl-CoA (18:1) 79	ME895446	1.96	3.07	2.08	2.89	1.65	2.66	2.95	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.00
Oxaloacetic 87	ME895374	2.60	2.82	1.60	2.84	2.04	2.61	2.46	0.03	0.06	0.04	0.02	0.07	0.02	0.02	0.02	0.02
Myristoyl-CoA 408	ME895443	2.63	3.21	2.14	2.66	1.95	2.52	2.16	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.00
Palmitoleyl-CoA (16:1) 79	ME895444	2.35	3.07	2.04	2.83	1.83	2.58	2.34	0.03	0.02	0.05	0.03	0.03	0.04	0.03	0.07	0.00
Palmitoyl-CoA (16:0) 79	ME895445	2.32	3.22	2.10	2.71	1.84	2.71	2.32	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.04	0.00
NADH 408	ME895418	2.97	3.31	1.80	2.32	2.18	1.91	2.83	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
GSSG 179	ME895415	2.69	3.18	2.71	2.29	2.46	1.78	2.19	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00
GSSG 306	ME895414	2.67	3.13	2.72	2.30	2.50	1.77	2.21	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
NADPH 408	ME895420	2.00	0.85	7.42	0.75	4.60	0.80	0.80	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.01
Acetic PAR	ME895361	0.34	1.60	2.62	0.14	4.65	1.96	0.22	0.17	0.16	0.04	0.60	0.28	0.04	0.16	0.09	1.38
NADPH 328	ME895421	1.01	0.30	4.29	0.26	2.35	0.24	0.21	0.00	NA	0.01	0.00	NA	0.00	NA	NA	NA

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:NA
F16	Sample source:NA \| Sample Type:QC \| Drug Treatment:NA

Data matrix