Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomic-based investigation on the effects of antifungal agents in Candida albicans (Study ST000243)

ESI negative ion mode (Analysis AN000380)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
L-CYSTINE	ME700532	1.51	0.76	1.46	0.42	1.34	0.43	0.72	0.48	0.76	0.69	2.05	0.81
ALPHA-KETOGLUTARIC ACID	ME700482	0.27	0.98	0.09	1.62	0.25	2.58	0.27	2.24	0.45	1.99	0.10	1.98
(S)-DIHYDROOROTATE	ME700528	0.51	2.08	0.09	2.72	0.07	2.06	0.10	1.36	0.07	1.06	0.15	2.08
Proline_R2	ME700529	0.38	1.93	0.29	0.89	0.31	0.42	0.25	1.79	0.22	2.04	0.31	2.36
GLUCOSE/FRUCTOSE [M+Cl]-	ME700502	1.29	1.05	1.05	0.98	0.94	0.94	0.91	0.84	0.67	0.69	1.45	1.11
TRANS-ACONITATE	ME700510	1.88	0.89	0.76	0.96	0.81	0.90	1.02	0.93	0.98	0.92	1.02	0.88
CMP	ME700473	1.66	1.34	0.85	1.01	0.78	0.99	0.75	1.11	0.71	1.16	0.70	0.80
URACIL	ME700452	1.47	1.34	0.64	1.23	0.68	1.24	0.67	1.24	0.72	1.02	0.68	1.10
L-CYSTATHIONINE	ME700467	0.55	2.09	0.66	0.97	0.68	1.11	0.92	1.43	1.01	1.27	0.48	0.86
3-METHYL-2-OXOVALERIC ACID	ME700542	0.67	1.30	0.76	1.04	0.88	0.90	0.96	1.13	0.96	1.21	0.92	1.18
D-(-)-3-PHOSPHOGLYCERIC ACID	ME700538	0.67	1.29	0.80	1.00	0.67	1.07	1.19	0.98	1.07	1.03	0.97	1.41
GLYCERATE	ME700486	0.56	1.32	0.70	1.21	0.63	1.15	1.20	1.08	1.10	1.39	0.64	1.23
Glucose 6-phosphate/Fructose 6-phosphate	ME700535	0.73	0.92	0.92	1.08	0.78	1.20	1.01	1.19	1.19	1.42	0.63	1.08
QUINATE	ME700507	0.63	1.11	0.72	1.14	0.69	1.35	1.20	1.36	1.10	1.45	0.58	1.01
CITRATE	ME700495	0.62	0.83	0.68	1.18	0.79	1.20	1.17	1.21	1.05	1.11	1.07	1.33
HYPOXANTHINE	ME700469	0.40	0.99	0.61	1.06	0.78	1.29	1.13	1.56	1.38	1.17	0.71	1.20
XANTHINE	ME700498	0.46	1.19	0.64	1.12	0.73	1.23	1.06	1.41	1.14	0.95	0.86	1.41
4-HYDROXYBENZALDEHYDE	ME700503	1.31	0.97	0.89	1.07	0.92	1.00	0.92	0.95	1.11	1.00	0.87	0.94
Tryptophan-2,3,3-D3	ME700454	0.89	0.98	0.93	1.14	0.98	1.12	0.94	1.07	1.04	1.02	0.95	0.99
4-METHYL-2-OXO-PENTANOIC ACID	ME700541	1.17	1.17	0.73	1.00	0.84	0.83	0.92	1.07	0.91	1.09	0.92	1.19
CITRAMALATE	ME700496	1.02	1.13	0.74	1.27	0.79	1.14	0.93	1.24	0.88	0.97	0.83	1.13
GLYCERALDEHYDE	ME700485	1.11	0.99	0.78	1.41	0.77	1.15	0.90	1.10	0.77	1.03	0.90	1.16
3-HYDROXYPHENYLACETATE	ME700543	1.06	1.21	0.75	1.69	0.71	1.27	1.05	1.21	0.81	0.62	0.98	0.86
INDOLE-3-ACETATE	ME700533	0.68	1.33	0.77	1.54	0.72	1.45	1.23	1.36	0.95	0.65	0.86	0.91
CITRULLINE	ME700474	0.77	1.23	0.99	1.24	0.89	1.36	1.07	1.10	0.97	0.95	0.92	0.81
arginine	ME700449	0.71	1.39	0.82	1.23	0.87	1.31	0.91	1.26	0.92	1.11	0.82	0.85
N-ACETYLNEURAMINATE	ME700461	0.73	1.28	0.78	1.43	0.79	1.18	0.93	1.28	0.78	1.08	1.02	0.82
Valine	ME700513	0.64	1.36	0.70	1.42	0.73	1.32	0.99	1.22	0.85	0.98	0.89	1.12
L-Isoleucine	ME700493	0.60	1.40	0.66	1.40	0.69	1.44	0.92	1.27	0.75	1.01	0.95	1.20
L-Leucine	ME700519	0.62	1.30	0.70	1.41	0.73	1.35	0.97	1.26	0.77	0.94	1.01	1.20
Phenylalanine	ME700458	0.74	1.16	0.68	1.44	0.64	1.36	0.97	1.26	0.74	0.90	0.99	1.38
L-METHIONINE	ME700466	0.72	1.11	0.78	1.24	0.84	1.26	0.98	1.13	0.79	0.89	1.11	1.33
PYRIDOXINE	ME700491	0.70	1.17	0.75	1.33	0.78	1.22	1.01	1.19	0.79	0.93	1.03	1.28
5-OXO-L-PROLINE	ME700477	0.84	1.43	0.65	1.51	0.68	1.47	0.79	1.41	0.64	0.84	0.86	1.13
MYO-INOSITOL	ME700511	0.71	1.44	0.79	1.54	0.76	1.45	0.86	1.25	0.41	1.04	0.84	1.18
AZELAIC ACID	ME700512	0.82	1.54	0.45	1.69	0.50	1.75	0.45	1.48	0.46	1.26	0.49	1.41
N-ACETYL-L-ALANINE	ME700463	0.64	1.57	0.42	1.63	0.42	1.73	0.68	1.73	0.56	1.35	0.51	1.15
URIDINE	ME700515	0.87	1.43	0.38	1.47	0.43	1.70	0.62	1.79	0.67	1.42	0.38	1.18
SUCCINATE	ME700457	0.71	1.37	0.44	1.68	0.42	1.65	0.73	1.44	0.47	1.39	0.74	1.30
BETA-ALANINE	ME700475	0.57	1.54	0.50	1.59	0.45	1.60	0.90	1.51	0.68	1.41	0.59	1.05
Glutamine	ME700470	0.54	1.68	0.55	1.59	0.53	1.62	0.61	1.46	0.56	1.40	0.59	1.14
ADENOSINE 5^-MONOPHOSPHATE	ME700540	0.73	1.50	0.79	1.16	0.80	1.18	0.74	1.29	0.74	1.25	0.74	1.08
UMP	ME700516	0.72	1.55	0.75	1.29	0.67	1.31	0.67	1.36	0.60	1.51	0.64	1.01
MALONATE	ME700489	0.87	1.55	0.53	1.43	0.58	1.44	0.62	1.44	0.60	1.28	0.61	1.18
GLUTARATE	ME700494	0.78	1.23	0.50	1.43	0.56	1.36	0.73	1.47	0.72	1.37	0.60	1.37
N-ACETYLGLYCINE	ME700531	0.66	1.42	0.53	1.34	0.59	1.38	0.73	1.32	0.70	1.52	0.60	1.36
2-deoxy-D-galactose (fructose/glucose)	ME700546	0.76	1.39	0.51	1.48	0.54	1.41	0.85	1.60	0.68	1.31	0.50	1.20
FUMARATE	ME700536	0.82	1.24	0.52	1.40	0.46	1.59	0.98	1.48	0.77	1.46	0.52	1.19
N-ACETYL-DL-GLUTAMIC ACID	ME700464	0.48	1.29	0.48	1.63	0.44	1.69	0.91	1.70	0.75	1.35	0.54	1.21
Tryptophan	ME700455	0.53	1.26	0.56	1.57	0.60	1.55	0.92	1.46	0.83	1.14	0.75	1.21
L-SERINE	ME700465	0.61	1.40	0.63	1.18	0.62	1.58	1.00	1.49	0.89	1.26	0.84	0.95
Histidine	ME700522	0.50	1.61	0.57	1.35	0.58	1.59	0.79	1.46	0.84	1.49	0.58	0.98
METHYL BETA-D-GALACTOSIDE	ME700492	0.50	1.58	0.56	1.34	0.58	1.41	0.84	1.47	0.83	1.51	0.58	1.02
NALPHA-ACETYL-L-LYSINE	ME700460	0.59	1.47	0.54	1.40	0.60	1.54	0.92	1.45	0.97	1.31	0.60	0.96
Aspartic acid_R1	ME700525	0.60	1.36	0.65	1.27	0.67	1.47	0.94	1.53	0.98	1.35	0.56	0.94
L-ASPARAGINE	ME700468	0.65	1.39	0.62	1.33	0.62	1.55	0.89	1.55	0.82	1.38	0.62	0.94
N-METHYL-D-ASPARTIC ACID	ME700490	0.56	1.36	0.59	1.39	0.54	1.42	0.97	1.48	0.84	1.46	0.55	1.15
O-ACETYL-L-SERINE	ME700459	0.51	1.40	0.57	1.37	0.60	1.45	0.86	1.57	0.88	1.45	0.55	1.05
Threonine	ME700517	0.58	1.37	0.62	1.39	0.58	1.44	0.93	1.48	0.76	1.24	0.69	1.22
Tyrosine	ME700453	0.54	1.48	0.58	1.42	0.58	1.46	0.88	1.51	0.76	1.32	0.68	1.08
ADP	ME700526	0.55	1.47	0.55	1.35	0.44	1.28	1.08	1.58	0.94	1.25	0.61	1.15
UDP	ME700499	0.55	1.58	0.54	1.38	0.44	1.46	0.83	1.79	0.75	1.28	0.54	1.11
D-GLUCURONOLACTONE	ME700537	0.68	1.20	0.76	1.23	0.75	1.63	1.05	1.12	0.85	1.55	0.64	1.04
XYLITOL	ME700509	0.60	1.11	0.65	1.28	0.63	1.33	1.03	1.41	0.94	1.39	0.66	1.24
GLUCONIC ACID	ME700483	0.64	1.17	0.66	1.26	0.69	1.51	0.82	1.48	0.89	1.32	0.70	1.13
guanine	ME700450	0.52	1.07	0.61	1.23	0.69	1.54	0.91	1.49	0.94	1.25	0.74	1.37
(R)-MALATE	ME700480	0.74	1.29	0.60	1.45	0.55	1.39	1.03	1.25	0.86	1.34	0.63	1.17
GLYCOLATE	ME700501	0.76	1.27	0.75	1.24	0.81	1.24	0.87	1.18	0.82	1.24	0.80	1.15
GLYOXYLIC ACID	ME700500	0.73	1.18	0.67	1.40	0.68	1.30	0.84	1.27	0.90	1.33	0.77	1.09
L-CYSTEINE	ME700520	0.30	1.21	0.37	1.57	0.43	1.41	1.22	1.53	1.19	1.56	0.29	1.34
GLUTATHIONE	ME700484	0.48	1.23	0.55	1.36	0.57	1.33	1.12	1.80	1.22	1.25	0.60	0.82
HYPOTAURINE	ME700488	0.33	1.34	0.45	1.12	0.54	1.56	1.48	1.46	1.17	1.25	0.90	1.06
D-(-)-ARABINOSE	ME700523	0.59	1.06	0.86	1.07	0.92	1.74	0.93	1.42	1.28	0.74	1.14	0.77
Creatine-D3	ME700472	1.06	0.83	1.23	0.80	1.27	0.76	1.03	0.81	1.23	0.90	1.11	0.80
4-ACETAMIDOBUTANOATE	ME700527	0.72	1.05	1.03	0.86	1.16	0.80	1.62	0.99	1.49	0.85	0.92	0.67
ALLANTOIN	ME700497	0.59	0.69	1.11	0.92	1.05	1.02	1.23	1.25	1.23	0.87	1.01	1.15
4-COUMARATE	ME700504	0.66	0.95	0.89	1.13	0.97	0.88	1.14	1.13	1.04	0.80	1.18	1.21
ISOCITRIC ACID	ME700521	0.76	0.79	0.93	1.00	1.01	0.92	1.40	1.00	1.26	0.88	1.21	0.99
GUANOSINE	ME700506	0.70	0.74	0.88	0.87	0.94	1.06	1.37	1.12	1.58	1.04	0.93	1.01
2-alpha-D-glucosyl-D-glucose [M+Cl]-	ME700505	0.69	0.65	0.98	0.80	1.05	0.87	1.42	1.07	1.55	1.08	0.99	0.96
SUCROSE	ME700508	0.74	0.68	1.00	0.79	0.96	0.78	1.43	1.02	1.68	1.18	0.82	0.95
ALPHA-AMINOADIPATE	ME700476	0.66	0.89	0.84	1.05	0.84	0.98	1.36	1.29	1.23	1.15	0.81	1.08
GLYCEROL 2-PHOSPHATE	ME700487	0.77	0.85	0.98	1.12	0.96	1.17	1.08	1.21	1.37	1.13	0.64	0.89
TAURINE	ME700456	0.84	1.11	0.90	1.00	0.81	1.06	1.29	1.13	1.37	1.12	0.75	0.81
3-SULFINO-L-ALANINE	ME700481	0.38	2.44	0.35	1.17	0.36	1.11	0.88	1.09	0.78	1.27	0.37	1.83
lysine	ME700448	0.46	2.08	0.46	1.25	0.45	2.13	0.94	1.27	0.71	1.41	0.56	1.07
Aspartic acid_R2	ME700524	0.61	1.60	0.31	2.24	0.32	1.79	0.52	1.40	0.46	1.18	0.33	1.59
5-AMINOLEVULINIC ACID	ME700478	0.45	2.09	0.48	1.48	0.46	1.35	0.61	1.40	0.54	1.52	0.56	1.14
3-HYDROXY-3-METHYLGLUTARATE	ME700479	0.56	1.61	0.30	1.69	0.30	1.60	0.48	1.61	0.42	1.74	0.38	1.50
N-ACETYL-L-ASPARTIC ACID	ME700462	0.45	1.73	0.33	1.64	0.32	1.51	0.53	1.69	0.52	1.66	0.37	1.38
3^-CMP	ME700544	0.31	1.95	0.25	1.76	0.25	1.96	0.44	1.85	0.41	1.60	0.25	1.33
Proline_R1	ME700530	0.37	1.94	0.29	1.78	0.27	1.71	0.48	1.81	0.41	1.50	0.40	1.31
URATE	ME700451	3.09	0.48	0.68	0.55	1.10	0.70	1.00	0.86	1.20	0.54	0.68	0.89
UROCANATE	ME700514	4.15	0.68	0.67	0.73	0.64	0.73	0.59	0.66	0.62	0.63	0.61	0.88
CYTIDINE	ME700471	4.59	0.77	0.40	0.75	0.43	0.87	0.47	0.83	0.55	0.80	0.41	0.73
CYTIDINE 2^,3^-CYCLIC MONO-PHOS-PHATE	ME700539	4.72	0.87	0.26	0.90	0.31	0.89	0.40	0.91	0.44	0.84	0.26	0.75
HOMOVANILLATE	ME700534	6.44	0.58	0.27	0.57	0.27	0.51	0.37	0.58	0.34	0.51	0.36	0.52
3-(2-HYDROXYPHENYL)PROPANOATE	ME700545	8.96	0.18	0.14	0.24	0.15	0.24	0.18	0.22	0.16	0.15	0.20	0.20
N-ACETYL-L-LEUCINE	ME700518	7.66	0.24	0.25	0.30	0.69	0.28	0.45	0.26	0.31	0.26	0.30	0.20

Factors:

F1	Treatment:0.0625MIC \| Experiment:1
F2	Treatment:0.0625MIC \| Experiment:2
F3	Treatment:0.125MIC \| Experiment:1
F4	Treatment:0.125MIC \| Experiment:2
F5	Treatment:0.25MIC \| Experiment:1
F6	Treatment:0.25MIC \| Experiment:2
F7	Treatment:0.5MIC \| Experiment:1
F8	Treatment:0.5MIC \| Experiment:2
F9	Treatment:1.0MIC \| Experiment:1
F10	Treatment:1.0MIC \| Experiment:2
F11	Treatment:no drug \| Experiment:1
F12	Treatment:no drug \| Experiment:2

Data matrix