Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004228)

HILIC NEGATIVE ION MODE (Analysis AN007038)

Metabolite	Structure	F1	F2	F3
5-Hydroxyindole-3-acetic acid	ME1145112	1.62	0.36	1.02
N-Acetyl-DL-tryptophan	ME1145160	1.58	0.44	0.97
Phenylacetylglycine	ME1145175	1.54	0.48	0.98
Hippuric Acid	ME1145138	1.81	0.10	1.11
Methyl indole-3-acetate	ME1145153	1.90	0.05	1.06
3-methylphenylacetic acid	ME1145109	1.87	0.13	1.00
Cinnamoylglycine	ME1145116	1.90	0.10	1.01
Deoxycholic Acid	ME1145121	1.83	0.22	0.93
3-Indoxyl sulphate	ME1145108	1.75	0.28	0.96
beta-Muricholic acid	ME1145098	1.79	0.28	0.92
Indole-3-pyruvic acid	ME1145139	1.81	0.32	0.83
Inosine	ME1145140	1.88	0.26	0.83
2,3-Dihydroxybenzoic acid	ME1145103	0.04	2.12	0.80
Malonic acid	ME1145152	0.17	2.00	0.78
N-Glycolylneuraminic acid	ME1145165	0.10	2.02	0.85
L-Anserine	ME1145142	0.27	1.69	1.05
D-2-Hydroxyglutaric acid	ME1145120	0.43	1.56	1.00
N-alpha-Acetyl-L-asparagine	ME1145157	0.40	1.58	1.03
3-Hydroxybutyric acid	ME1145107	0.32	1.89	0.73
2/3-Hydroxybutyrate	ME1145104	0.26	1.83	0.89
3-Hydroxy-3-methylglutaric acid	ME1145106	0.27	1.77	0.95
N-Acetylglutamic acid	ME1145161	0.35	1.70	0.93
3-Phosphoglyceric acid	ME1145110	0.38	1.75	0.83
N-Acetylneuraminic acid	ME1145164	0.38	1.75	0.85
L-Ascorbic acid 2-sulfate	ME1145143	0.58	1.52	0.87
N-Tigloylglycine	ME1145167	0.62	1.39	0.99
D-Sedoheptulose 7-phosphate	ME1145130	0.69	1.40	0.89
D-Ribulose 5-phosphate	ME1145128	0.64	1.41	0.94
Glucose 6-phosphate	ME1145133	0.65	1.42	0.91
Citraconic Acid	ME1145118	0.86	0.97	1.21
Oleic acid	ME1145169	0.91	1.18	0.88
Linoleic acid	ME1145149	0.89	1.21	0.88
N-Acetyl-alpha-D-glucosamine 1-phosphate	ME1145158	0.89	1.20	0.89
(+/-)11(12)-EET	ME1145094	0.89	1.18	0.91
Pentadecanoic acid	ME1145174	0.90	1.16	0.92
Allantoin	ME1145114	0.87	1.17	0.95
DHAP/GAP	ME1145123	0.87	1.19	0.93
Docosahexaenoic acid	ME1145126	0.86	1.20	0.92
D-Saccharic acid	ME1145129	0.96	1.00	1.06
Uric acid	ME1145190	0.94	1.01	1.06
L-Cysteine-S-sulfate	ME1145145	0.87	1.09	1.05
Stearic acid	ME1145181	0.86	1.09	1.06
Arachidonic acid	ME1145115	0.90	1.14	0.96
DL-4-Hydroxyphenyllactic acid	ME1145125	0.89	1.12	1.00
Malic acid	ME1145151	0.95	1.07	0.97
Ethyl myristate	ME1145131	0.91	1.08	1.01
Myo-inositol	ME1145155	0.93	1.06	1.01
Gluconic acid	ME1145132	0.76	1.15	1.11
L-Glutathione oxidized	ME1145147	0.77	1.14	1.11
Quinolinic acid	ME1145180	0.73	1.21	1.07
N-Acetyl-1-aspartylglutamic acid	ME1145159	0.76	1.19	1.06
Succinic acid	ME1145182	0.77	1.20	1.04
O-Acetylserine	ME1145168	0.71	1.32	0.97
Theophylline	ME1145186	0.70	1.33	0.96
N-Isovalerylglycine	ME1145166	0.79	1.24	0.97
L-Cysteinesulfinic acid	ME1145146	0.76	1.28	0.95
Orotidine	ME1145172	0.75	1.26	0.99
Pyroglutamic acid	ME1145178	0.74	1.27	0.99
Linolenic Acid	ME1145097	0.83	1.26	0.89
(±)10(11)-EpDPA	ME1145095	0.78	1.35	0.84
Palmitoleic acid	ME1145173	0.79	1.32	0.87
cis-Aconitic acid	ME1145117	1.15	0.91	0.93
Thymine	ME1145187	1.14	0.97	0.86
L-Lactic acid	ME1145150	1.04	0.90	1.08
Taurine	ME1145183	1.03	0.92	1.06
N-Acetyl-L-phenylalanine	ME1145163	1.03	0.95	1.02
Glycerol 3-phosphate	ME1145135	1.09	0.92	0.99
Glycerophospho-N-palmitoyl ethanolamine	ME1145136	1.07	0.92	1.02
11(Z),14(Z)-Eicosadienoic acid	ME1145101	0.98	1.10	0.90
Glycerol	ME1145134	1.01	1.07	0.90
Phenyllactic acid	ME1145176	1.00	1.00	0.99
trans-Cinnamic acid	ME1145189	1.03	0.99	0.97
Citric acid	ME1145119	1.07	0.99	0.93
Dihomo-gamma-Linolenic Acid	ME1145124	1.04	1.03	0.92
Adenosine diphosphate ribose	ME1145113	0.92	1.29	0.74
Myristic acid	ME1145156	0.99	1.17	0.80
Tetradecanedioic acid	ME1145185	1.00	1.18	0.77
16-Hydroxyhexadecanoic acid	ME1145102	1.06	1.09	0.81
trans-10-Heptadecenoic acid	ME1145188	1.03	1.13	0.80
Jasmonic acid	ME1145141	1.49	0.83	0.60
Taurochenodeoxycholic Acid (sodium salt)	ME1145184	1.45	0.76	0.73
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid	ME1145096	1.20	0.50	1.37
Xanthosine	ME1145192	1.16	0.63	1.26
Glycyl-L-leucine	ME1145137	1.26	0.83	0.89
Deoxyuridine	ME1145122	1.34	0.74	0.90
Uridine	ME1145191	1.32	0.73	0.94
Oleoyl-L-alpha-lysophosphatidic acid	ME1145170	1.19	0.74	1.09
D-Ribose 5-phosphate	ME1145127	1.21	0.83	0.96
Pseudouridine	ME1145177	1.17	0.84	0.99
11(E)-Eicosenoic Acid	ME1145100	1.16	0.84	1.00
Orotic acid	ME1145171	1.17	0.83	1.00
Methylsuccinic acid	ME1145154	1.36	0.48	1.20
L-Iditol	ME1145148	1.36	0.57	1.10
1,5-Anhydro-D-glucitol	ME1145099	1.31	0.62	1.08
L-Aspartic acid	ME1145144	1.34	0.60	1.07
N-Acetyl-L-methionine	ME1145162	1.36	0.60	1.05
2^-Deoxycytidine	ME1145105	1.31	0.67	1.03
4-Methylphenol	ME1145111	1.27	0.66	1.08
Pyruvic acid	ME1145179	1.26	0.70	1.05

Factors:

F1	Treatment:Control \| Sample source:Serum
F2	Treatment:E. coli \| Sample source:Serum
F3	Treatment:n/a \| Sample source:Serum

Data matrix