Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolome of three Vancomycin-intermediate Staphylococcus aureus (VISA) mutants compared with the parent strain MM66 (Study ST000309)

GC-MS (Analysis AN000489)

Metabolite	Structure	F1	F2	F3	F4
Mannitol	ME108878	0.24	0.14	0.18	3.44
Butylamine	ME108825	0.17	1.40	2.20	0.24
Dodecanoic acid	ME108836	1.03	0.69	1.28	NA
Tetradecanoic acid	ME108924	1.10	0.82	1.09	NA
dodecanoylglycerol	ME108837	NA	1.32	1.34	0.34
GABA	ME108844	NA	1.27	0.73	NA
Pyrrole-2-carboxylic acid	ME108911	NA	0.93	1.07	NA
Ethyl phosphoric acid	ME108841	0.40	0.03	2.02	1.55
4-hydroxyproline	ME108810	0.10	NA	2.85	0.05
11-Octadecenoic acid	ME108786	0.34	NA	1.95	0.71
3-Hydroxypyruvic acid	ME108806	0.26	NA	1.74	NA
cysteine	ME108831	0.35	NA	1.65	NA
Palmitelaidic acid	ME108899	2.03	0.38	0.85	0.75
Sorbitol-6-P	ME108918	2.83	0.09	0.07	NA
2,4-hydroxybutanoic acid	ME108793	0.36	1.56	NA	1.07
Cadaverine	ME108826	1.14	1.98	0.17	0.70
ornitine	ME108897	1.34	1.77	0.09	0.80
Glutamine	ME108852	0.93	2.27	0.22	0.58
Nicotinic acid	ME108892	0.83	2.10	0.14	0.92
Inosine	ME108870	1.51	0.49	NA	NA
Hypoxanthine	ME108869	1.11	1.62	0.28	NA
2-Pyrrolidone-5-carboxylic acid	ME108805	0.86	1.14	NA	NA
galactosamine	ME108846	0.87	1.13	NA	NA
2,4-hydroxybenzoic acid	ME108792	NA	0.38	1.15	1.47
Glucose	ME108849	NA	0.20	0.97	1.83
Citramalic acid	ME108828	NA	0.56	NA	1.44
sucrose	ME108923	NA	NA	0.21	1.79
Arabitol	ME108819	1.82	0.14	0.07	1.97
Glycerol	ME108855	1.17	0.15	0.07	2.61
docosanol	ME108835	0.67	0.47	0.59	2.27
Pentadecanoylglycerol	ME108902	0.59	0.39	0.78	2.25
Pentadecanoic acid	ME108901	0.94	0.47	0.29	2.31
pyruvic acid	ME108912	0.94	0.37	0.50	2.19
Glycine	ME108858	0.87	1.12	0.15	1.86
Guanine	ME108860	0.87	0.99	0.05	2.09
methyl-hexadecanoic acid	ME108883	0.64	0.63	0.26	2.47
Glycerol-3-P	ME108857	0.84	0.76	0.18	2.22
Heptadecanoic acid	ME108862	0.76	0.78	0.24	2.23
Nonadecanoic acid	ME108893	0.76	0.72	0.21	2.30
2-hydroxyglutaric acid	ME108799	0.81	0.86	0.05	2.29
Thymine	ME108927	0.74	0.94	0.09	2.23
Spermidine	ME108919	1.02	0.70	0.02	2.26
Uridine	ME108932	1.01	0.66	0.10	2.23
glucose-6-p	ME108850	0.82	0.67	0.01	2.50
1-Methyl-beta-D-galactopyranoside	ME108787	0.90	0.58	0.09	2.43
Ribitol	ME108913	0.98	0.55	0.05	2.41
mannose-6-p	ME108880	0.38	0.24	NA	2.38
B-alanine	ME108822	0.51	0.93	0.04	2.53
fructose-6-p	ME108842	0.38	0.65	0.06	2.91
2-methyl-2-hydroxybutanoic acid	ME108801	0.93	NA	NA	1.07
Glutaric acid	ME108853	0.82	NA	NA	1.18
2(1H)-Pyrimidinone, 1-b-D-ribofuranosyl-4-hydroxy-5^-P	ME108790	1.10	NA	NA	0.90
N-Acetylglucosylamine	ME108887	1.32	NA	NA	0.68
alanine	ME108817	1.38	1.46	0.08	1.08
glutamic acid	ME108851	1.28	1.50	0.05	1.17
Threonic acid	ME108925	1.26	1.59	0.04	1.11
Hydroxyphosphinyloxyacetic acid	ME108868	1.03	1.68	0.16	1.12
Ribose-5-p	ME108915	1.05	1.66	0.08	1.22
a-Ketoglutaric acid	ME108816	1.22	1.70	0.05	1.03
Asparagine	ME108820	1.12	1.73	0.04	1.11
serine	ME108916	0.88	1.65	0.13	1.34
Uracil	ME108930	0.96	1.40	0.34	1.30
Guanosine	ME108861	1.08	1.45	0.13	1.34
Tryptophan	ME108928	1.13	1.46	0.14	1.26
2-methyl-2,3-hydroxypropanoic acid	ME108800	1.58	1.28	0.16	0.98
Xylitol	ME108934	1.58	1.25	0.07	1.10
Glycolic acid	ME108859	1.48	1.14	0.43	0.95
1-Monohexadecanoylglycerol	ME108788	1.24	1.29	0.49	0.97
5-Methylthioadenosine	ME108812	1.28	1.35	0.35	1.02
Proline	ME108906	1.26	1.47	0.26	1.01
2-Methylserine	ME108802	1.11	1.31	NA	0.57
4,5-dimethyl-2,6-hydroxypyrimidine	ME108808	0.99	0.88	NA	1.13
2-Amino-4,6-dihydroxypyrimidine	ME108794	0.85	0.96	NA	1.20
Orotic acid	ME108898	0.83	1.03	NA	1.14
Homocysteine	ME108865	0.90	1.14	NA	0.95
2-PGA	ME108804	0.99	1.13	NA	0.88
glucosamine	ME108848	1.04	1.08	NA	0.88
Cystathonine	ME108830	1.25	0.97	NA	0.78
N-Acetyl aspartic acid	ME108886	1.20	0.80	NA	1.00
Arabinofuranose	ME108818	1.05	0.96	NA	0.99
Dihydroorotic acid	ME108833	1.13	0.94	NA	0.93
Citric acid	ME108829	1.72	0.74	0.06	1.48
Inositol	ME108871	1.80	0.79	0.04	1.37
Gluconic acid	ME108847	1.37	0.44	NA	1.19
malic acid	ME108876	1.29	0.50	NA	1.20
2-hydroxy-1,3-propanediylphosphate	ME108797	1.54	0.35	NA	1.11
a-Glycerophosphorylglycerol	ME108815	1.48	0.23	NA	1.29
2-hydroxybutanoic acid	ME108798	0.71	0.83	NA	1.46
Pipecolic acid	ME108905	0.72	0.73	NA	1.55
N-Acetyl-serine	ME108890	0.56	0.77	NA	1.67
2-Aminoadipic acid	ME108795	0.73	0.60	NA	1.67
Mannitol-p	ME108879	0.62	0.61	NA	1.77
4-methyl-2-hydroxypentanoic acid	ME108811	1.00	0.62	NA	1.38
methyl-tetradecanoic acid	ME108884	0.87	0.51	NA	1.63
2,4,6-Tri-tert.-butylbenzenethiol	ME108791	1.20	0.86	0.60	1.34
N-Acetyl-Lysine	ME108889	1.27	0.74	0.49	1.50
4,8-hydroxy-2-Quinolinecarboxylic acid	ME108809	0.92	0.89	0.67	1.51
Docosanoic acid	ME108834	0.80	0.69	0.74	1.77
ribose	ME108914	1.40	1.01	0.15	1.44
lysine	ME108875	1.36	1.11	0.04	1.49
Aspartic acid	ME108821	1.29	1.19	0.07	1.45
Succinic acid	ME108922	1.36	1.17	0.08	1.39
Fumaric acid	ME108843	1.23	1.15	0.08	1.55
Homoserine	ME108866	1.24	1.18	0.04	1.54
leucine	ME108874	1.30	1.11	0.14	1.44
methionine	ME108881	1.27	1.13	0.13	1.48
Nicotinamide	ME108891	1.26	1.09	0.14	1.51
N-Acetylglutamic acid	ME108888	1.14	1.12	0.27	1.47
Adenosine	ME108814	1.26	1.10	0.34	1.30
Threonine	ME108926	1.26	1.20	0.19	1.34
Monomethylphosphate	ME108885	1.07	1.23	0.05	1.65
tyrosine	ME108929	1.10	1.17	0.06	1.67
Heptadecanoylglycerol	ME108863	1.08	0.93	0.26	1.73
isoleucine	ME108872	1.15	0.91	0.24	1.70
Glyceric acid	ME108854	1.22	1.04	0.06	1.68
valine	ME108933	1.25	0.97	0.11	1.67
pyrophosphate	ME108910	1.30	0.73	0.02	1.96
3-PGA	ME108807	1.41	0.71	0.02	1.86
Pyroglutamic acid	ME108909	1.38	0.74	0.09	1.79
phenylalanine	ME108903	1.39	0.84	0.20	1.57
Malonic acid	ME108877	1.56	0.78	0.04	1.63
Phosphoric acid	ME108904	1.45	0.82	0.07	1.65
Eicosanoic acid	ME108838	0.96	0.61	0.47	1.96
Glycerol-2-P	ME108856	1.07	0.67	0.18	2.08
Nonadecanoylglycerol	ME108894	1.04	0.79	0.24	1.93
Putrescine	ME108908	1.16	0.60	0.33	1.91
eicosanoylglycerol	ME108839	1.25	0.74	0.34	1.68
Adenine	ME108813	1.18	0.71	0.34	1.77
lactic acid	ME108873	1.22	0.68	0.31	1.79
ethanolamine	ME108840	0.90	0.52	1.75	0.84
1-Monooctadecanoylglycerol	ME108789	1.14	1.03	0.78	1.04
Benzoic acid	ME108823	1.09	1.15	0.65	1.11
Propan-1,2-diol	ME108907	1.40	0.82	1.08	0.70
Urea	ME108931	1.35	0.80	0.95	0.90
b-Lactic acid	ME108824	0.43	0.97	1.06	1.54
Hydroxylamine	ME108867	1.03	0.59	1.15	1.23
palmitic acid	ME108900	1.01	0.86	0.99	1.14
Squalene	ME108920	0.71	0.92	1.19	1.18
stearic acid	ME108921	0.89	0.77	0.99	1.34
Nonanoic acid	ME108895	0.80	0.78	1.16	1.26
octadecanol	ME108896	0.85	0.70	1.19	1.26

Factors:

F1	source:mutant \| type:VISA2
F2	source:mutant \| type:VISA3
F3	source:mutant \| type:VISA4
F4	source:parent \| type:hVISA

Data matrix