Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000054)

(Analysis AN000092)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14
palmitoleic acid	ME651941	1.26	0.40	0.84	0.49	0.72	0.37	1.26	2.40	1.05	0.22	0.81	1.46	1.13	1.11
succinate semialdehyde meox1	ME651954	0.75	0.97	1.31	0.67	1.70	2.44	0.81	0.34	2.12	0.62	0.85	0.51	0.43	0.25
alpha tocopherol	ME651912	1.77	0.76	0.65	0.76	0.68	0.53	0.53	1.01	1.18	0.28	0.55	0.35	1.08	2.30
aminomalonic acid	ME651914	1.13	0.99	1.22	2.55	0.55	0.13	1.09	0.11	0.67	0.53	0.97	0.99	1.46	0.53
sorbitol	ME651952	0.23	0.24	1.48	2.54	0.74	1.03	0.78	0.43	1.26	1.26	1.35	0.82	1.00	0.96
serine	ME651949	1.68	0.87	1.93	0.79	0.97	0.74	0.89	0.42	0.76	0.51	0.62	0.62	0.68	0.61
threonine	ME651955	2.41	0.74	1.85	0.70	0.57	0.54	1.29	0.26	0.58	0.35	0.47	0.52	0.56	0.43
shikimic acid	ME651951	1.29	1.24	1.12	1.29	1.19	1.07	1.22	0.10	1.21	1.54	1.24	1.21	0.35	0.28
urea	ME651958	1.57	0.43	0.96	1.28	1.31	0.58	0.86	0.61	0.95	2.48	1.20	0.99	0.70	0.40
alpha-ketoglutarate	ME651913	0.62	0.69	0.41	0.65	1.52	0.66	1.69	0.72	1.09	0.48	0.41	0.61	1.25	1.60
beta-hydroxybutyric acid	ME651919	1.36	1.68	0.78	1.21	1.51	2.48	0.97	1.18	0.85	0.58	0.43	0.43	0.97	0.98
lysine	ME651931	0.83	1.36	0.88	1.59	1.26	2.04	0.93	0.38	1.03	1.14	0.88	0.83	1.01	0.92
maleimide	ME651932	1.11	1.65	0.80	1.63	1.10	1.67	0.64	0.36	1.37	1.48	0.73	0.68	1.16	0.74
z dioctylphtalate	ME651960	1.05	1.28	0.70	1.08	0.78	1.32	0.87	0.74	0.84	0.70	0.71	0.75	1.27	1.90
citric acid	ME651923	1.31	1.10	0.79	1.56	1.16	0.71	0.81	0.77	1.77	1.19	0.60	0.69	0.99	0.57
malic acid	ME651933	1.39	1.35	1.03	1.49	1.25	0.87	0.79	0.67	0.93	0.96	0.62	0.65	1.10	0.88
phosphate	ME651944	1.26	0.99	0.82	1.43	1.50	1.01	1.18	0.94	1.10	1.16	0.64	0.79	0.84	0.71
isoleucine	ME651928	1.10	0.77	1.31	1.16	1.29	1.02	1.35	0.53	1.07	0.69	0.63	0.66	0.74	0.68
proline	ME651946	0.93	1.09	1.18	1.23	1.63	1.25	1.31	0.65	1.18	0.59	0.61	0.81	0.70	0.58
cholesterol	ME651922	1.33	1.12	1.26	1.12	1.50	1.07	0.86	0.84	1.14	0.98	0.65	0.81	0.67	0.71
oxoproline	ME651939	1.18	0.99	1.63	1.30	1.45	1.33	0.79	0.55	0.95	0.93	0.63	0.66	0.76	0.58
valine	ME651959	1.05	1.20	1.05	1.31	1.42	1.43	0.94	0.25	1.03	0.45	0.71	1.21	0.82	1.09
N-acetyl-L-aspartic acid 1	ME651935	1.02	1.02	0.95	1.27	1.49	1.47	0.78	0.68	1.15	0.93	0.53	0.57	0.93	1.38
serine minor	ME651950	1.04	0.92	1.22	1.20	1.68	1.95	0.63	0.60	1.13	0.77	0.68	0.73	0.91	0.79
threonine minor	ME651956	1.14	0.97	1.23	1.21	1.61	1.71	0.70	0.62	1.13	0.78	0.63	0.69	0.88	0.77
creatine major dehydrated TMS3	ME651924	0.97	0.98	0.97	1.51	1.05	0.74	1.28	0.88	0.76	0.83	0.72	1.01	1.31	0.74
salicylic acid	ME651948	1.06	0.91	0.77	1.45	0.80	0.79	1.86	0.42	0.84	0.72	0.78	0.68	1.04	0.84
pinitol	ME651945	0.93	0.80	0.84	1.03	1.59	1.03	0.93	0.84	0.91	0.84	1.31	1.30	0.81	0.94
oxalic acid	ME651938	0.96	1.27	0.80	1.10	1.19	0.82	0.93	0.81	1.53	0.80	0.77	0.71	1.00	1.00
lauric acid	ME651929	1.28	1.32	0.86	0.90	0.91	0.73	0.92	1.03	1.06	0.99	0.92	1.04	1.01	1.06
2-hydroxybutanoic acid	ME651911	1.04	1.25	0.78	1.23	1.46	1.38	0.98	0.96	0.84	0.76	0.78	0.92	1.08	1.07
chlorogenic acid major	ME651921	1.07	0.98	0.97	1.20	1.02	0.95	1.00	0.88	1.01	1.20	1.01	0.86	0.94	0.99
behenic acid	ME651917	1.09	1.10	0.85	0.91	0.96	1.07	1.03	0.79	1.04	0.82	0.91	1.02	1.00	1.24
palmitic acid	ME651940	1.02	1.16	0.83	1.27	1.07	1.44	0.96	0.90	1.04	0.88	0.93	1.24	0.99	1.06
caprylic acid	ME651920	1.04	1.32	0.94	1.10	1.14	1.32	1.03	0.85	1.09	1.01	0.97	1.08	0.87	0.81
pentadecanoic acid	ME651943	1.02	1.12	0.90	1.44	1.11	1.10	1.00	0.87	1.08	0.97	0.89	1.00	1.01	0.92
ribitol	ME651947	0.99	1.08	0.96	1.31	1.09	1.19	1.03	1.00	0.96	0.94	0.95	1.00	0.99	0.93
benzoic acid	ME651918	1.06	1.16	0.84	1.14	1.01	1.09	1.02	1.01	1.06	1.06	0.97	1.02	1.00	0.98
pelargonic acid	ME651942	1.06	1.20	0.91	1.13	1.08	1.21	1.03	1.03	1.10	1.16	0.92	1.01	0.90	0.90
arachidiic acid	ME651915	1.09	1.14	0.85	1.01	1.03	1.14	1.04	0.74	1.12	0.93	0.94	1.05	0.95	1.02
stearic acid	ME651953	1.00	1.19	0.82	1.11	1.05	1.24	0.98	0.88	1.09	0.90	0.90	1.15	1.00	1.15
heptadecanoic acid	ME651927	1.06	1.10	0.84	1.13	0.96	1.18	1.03	0.87	1.07	0.89	0.95	1.20	1.01	1.01
myristic acid	ME651934	1.04	1.12	0.86	1.09	1.00	1.18	1.03	0.93	1.05	0.92	0.96	1.07	1.02	1.00
glycerol	ME651926	0.91	1.29	0.75	1.17	1.02	1.27	1.11	1.08	0.85	0.83	1.09	1.39	1.07	1.04
octadecanol	ME651936	1.12	1.16	0.80	1.18	0.91	1.08	0.97	0.96	0.98	0.83	0.82	0.88	1.26	1.06
linoleic acid	ME651930	0.96	1.10	0.72	1.23	0.80	1.10	1.04	1.17	0.92	0.74	0.90	1.19	1.30	1.19
oleic acid	ME651937	0.94	1.14	0.69	1.23	0.98	1.21	1.04	1.19	0.93	0.78	0.86	1.20	1.25	1.17
glutamic acid 2TMS	ME651925	1.10	0.61	1.94	1.58	1.61	1.28	0.28	0.25	1.58	0.82	0.41	0.21	0.74	0.52
aspartate minor	ME651916	1.43	1.31	1.21	1.70	1.80	1.24	0.37	0.66	1.07	1.04	0.34	0.47	1.12	0.59
trans-4-hydroxy-L-proline minor1	ME651957	0.85	0.82	1.44	1.48	2.37	1.21	0.70	0.90	0.75	0.64	0.65	0.48	0.94	0.53
1-monopalmitin	ME651909	0.29	0.68	0.36	1.65	0.54	1.18	0.19	0.98	0.31	0.49	0.19	0.67	2.05	4.68
1-monostearin	ME651910	0.21	0.69	0.27	0.66	0.38	0.73	0.13	0.38	0.19	0.33	0.14	0.32	0.86	8.02

Factors:

F1	treatment:Basal \| pool aliquot:no
F2	treatment:Basal \| pool aliquot:yes
F3	treatment:DCIS \| pool aliquot:no
F4	treatment:DCIS \| pool aliquot:yes
F5	treatment:HER2 \| pool aliquot:no
F6	treatment:HER2 \| pool aliquot:yes
F7	treatment:LumA \| pool aliquot:no
F8	treatment:LumA \| pool aliquot:yes
F9	treatment:LumB \| pool aliquot:no
F10	treatment:LumB \| pool aliquot:yes
F11	treatment:Reduction \| pool aliquot:no
F12	treatment:Reduction \| pool aliquot:yes
F13	treatment:Total Pool1 \| pool aliquot:yes
F14	treatment:Total Pool2 \| pool aliquot:yes

Data matrix