Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001270)

(Analysis AN002110)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7
DODECANOIC ACID	ME297359	0.89	1.24	0.83	0.67	0.90	1.01	1.11
GAMMA-TOCOPHEROL	ME297403	0.97	0.95	1.23	0.96	1.00	0.97	1.00
3-HYDROXYISOVALERIC ACID	ME297324	1.03	1.16	1.83	0.79	1.78	0.81	0.58
4-HYDROXYPHENYLACETIC ACID	ME297357	1.00	1.86	1.81	0.71	1.11	0.53	0.54
Drug-like	ME297367	1.77	1.05	0.68	0.07	0.40	0.47	0.33
GLUTAMINE (3TMS)	ME297368	0.87	1.14	0.76	0.88	0.82	0.83	1.22
CYSTEINE	ME297348	1.17	1.11	1.05	0.65	0.93	1.09	0.77
THREONINE	ME297335	0.98	0.99	0.81	0.79	0.85	0.85	1.13
GLUTAMIC ACID	ME297352	0.92	1.26	0.91	1.31	1.25	1.08	0.95
3-HYDROXYBUTYRIC ACID	ME297320	0.72	1.42	1.71	3.21	1.61	0.78	0.80
RIBOSE	ME297362	1.47	0.92	1.65	0.47	1.19	0.81	0.33
PIPECOLIC ACID	ME297334	1.06	1.09	2.20	0.57	1.01	1.08	0.61
GLUTAMINE (4TMS)	ME297350	0.86	1.63	1.21	0.76	0.79	1.03	0.94
HEXADECANOIC ACID	ME297383	0.91	1.21	1.00	1.01	1.00	0.89	1.04
NA	ME297404	1.32	1.29	0.96	0.40	1.06	0.85	0.19
XYLOSE	ME297358	0.85	0.97	1.00	0.90	1.15	1.01	1.16
HIPPURIC ACID (2TMS)	ME297369	1.29	0.99	1.38	0.27	1.04	0.94	0.68
HISTIDINE	ME297375	0.98	1.12	0.82	0.62	0.85	0.99	1.07
LYSINE (4TMS)	ME297376	1.00	1.06	0.80	0.64	0.96	0.94	1.06
myo-INOSITOL	ME297384	1.35	1.17	1.05	0.89	0.70	1.38	0.54
CYSTATHIONINE	ME297389	1.27	0.71	1.70	0.72	0.74	0.72	0.72
NAPROXEN	ME297385	1.04	0.96	1.00	0.98	1.00	0.98	0.97
ASPARAGINE (3TMS)	ME297361	1.03	1.28	0.78	0.81	1.06	0.89	0.93
ALANINE	ME297316	0.89	1.15	0.72	0.58	0.87	0.76	1.21
OCTADECENOIC ACID, 9-(Z)	ME297392	0.92	1.23	0.99	0.98	1.01	0.83	1.04
MALTOSE 2	ME297401	2.30	0.19	0.44	0.14	0.18	0.53	0.09
2-AMINOBUTYRIC ACID	ME297321	0.94	1.04	1.23	1.28	1.11	0.86	0.98
5,6-Dihydrouracil-like	ME297319	0.97	0.96	0.90	1.10	1.05	1.04	1.06
TRYPTOPHAN	ME297390	0.65	1.12	0.65	1.21	0.78	0.77	1.51
L-Threonic acid	ME297346	1.21	1.31	1.59	0.64	1.35	0.96	0.44
ERYTHRITOL	ME297343	0.88	1.55	1.43	0.75	1.62	0.89	0.74
chiro-INOSITOL	ME297380	0.97	1.18	0.77	0.63	2.72	0.70	0.72
Cysteine, S-methyl-, DL- (2TMS)	ME297337	0.74	0.86	0.83	0.82	0.89	0.78	1.44
ISOMALTOSE	ME297402	1.44	1.05	1.96	0.38	1.00	1.20	0.21
LIDOCAINE	ME297366	0.56	1.54	2.71	0.56	2.92	0.56	0.56
HIPPURIC ACID (1TMS)	ME297372	1.17	1.33	0.71	0.22	0.90	0.80	0.83
XYLULOSE	ME297363	0.92	1.40	1.49	1.33	1.62	1.43	0.63
3,4-Dihydroxybutanoic acid-like	ME297339	1.11	1.64	1.62	0.68	1.22	0.88	0.48
BETA-ALANINE (3TMS)	ME297338	0.95	1.44	1.04	0.91	1.17	1.16	0.84
MANNITOL	ME297377	1.15	0.99	1.46	2.13	0.87	1.14	0.61
CREATININE	ME297347	1.39	0.71	1.37	0.76	1.52	0.67	0.51
ALPHA-KETOGLUTARIC ACID	ME297349	0.88	2.08	0.90	0.55	1.19	0.74	0.79
SUCROSE	ME297399	0.86	1.28	0.67	0.50	1.84	1.67	0.90
scyllo-INOSITOL	ME297381	1.34	2.25	0.41	0.18	0.37	2.34	0.31
URIC ACID	ME297386	0.77	1.18	1.12	1.43	1.26	0.94	1.11
2-OXOBUTYRIC ACID	ME297315	1.07	1.06	1.10	1.08	1.25	1.04	0.81
BETA-ALANINE (2TMS)	ME297323	0.96	1.15	1.41	0.75	1.49	0.85	0.81
CHOLESTEROL	ME297408	0.98	1.00	0.97	0.92	1.00	0.92	1.04
HydroxyButyric acid-nTMS	ME297318	1.09	0.99	1.46	1.07	1.66	1.11	0.64
LYSINE (3TMS)	ME297364	1.01	0.81	0.82	0.39	1.02	0.36	1.21
ORNITHINE (4TMS)	ME297370	1.01	1.10	0.98	0.70	1.11	0.75	0.98
TARTARIC ACID	ME297356	1.21	1.62	0.94	0.53	1.08	0.92	0.56
UREA	ME297322	1.13	1.12	1.50	0.65	1.23	1.13	0.63
TYROSINE	ME297379	0.94	1.34	0.87	0.67	1.16	0.91	0.97
HEPTADECANOIC ACID	ME297387	0.95	1.12	0.96	0.89	0.99	0.94	1.04
MALTOSE 1	ME297400	2.29	0.27	0.38	0.20	0.30	0.60	0.16
RIBITOL	ME297365	0.97	1.36	1.33	0.87	1.54	1.10	0.71
PALMITOLEIC ACID	ME297382	0.77	1.94	1.04	0.65	0.85	0.86	0.99
SERINE	ME297333	0.91	0.96	0.74	1.30	0.99	0.78	1.20
OCTADECADIENOIC ACID, 9,12-(Z,Z)	ME297391	0.96	1.05	0.94	0.65	0.99	0.68	1.10
DOCOSAHEXAENOIC ACID	ME297398	0.87	1.17	0.73	0.54	0.86	0.89	1.22
ISOLEUCINE	ME297328	0.97	0.89	0.69	1.29	1.22	0.93	1.10
MALIC ACID	ME297342	0.92	2.19	0.82	0.63	1.07	0.69	0.76
GLUCURONIC ACID	ME297378	1.13	1.78	1.34	0.39	1.65	0.80	0.41
Inositol-2-phosphate, myo- (7TMS)	ME297397	0.86	0.90	1.07	0.98	0.80	0.91	1.24
KYNURENINE	ME297388	1.28	1.13	0.89	0.82	1.57	0.61	0.60
Pseudo uridine-like	ME297395	1.10	1.14	1.52	0.54	1.18	1.07	0.68
LEUCINE	ME297327	0.99	0.98	0.83	1.41	1.19	0.95	1.01
Iminodiacetic acid (3TMS)	ME297345	1.02	1.08	1.14	0.80	1.09	1.12	0.89
OCTADECANOIC ACID	ME297393	0.97	1.07	0.99	0.91	1.00	1.03	1.02
ORNITHINE (3TMS)	ME297351	0.93	0.94	0.85	0.65	0.93	0.61	1.22
GLYCERIC ACID	ME297330	0.77	1.19	0.83	0.77	1.07	0.74	1.27
Aminomalonic acid-like	ME297340	0.74	0.78	0.70	0.93	0.88	0.84	1.50
2,3-Dihydroxybutanoic acid-like	ME297332	0.97	1.29	1.51	0.99	1.26	1.16	0.73
EDTA_minor_peak	ME297396	0.88	0.93	0.84	0.70	0.85	0.59	1.30
TAURINE	ME297360	1.69	1.79	0.24	0.71	0.35	0.77	0.36
VALINE	ME297325	0.92	0.96	0.87	1.40	1.22	0.79	1.10
Ethanolamine-like	ME297326	1.02	0.98	0.90	0.93	1.02	0.83	1.03
FRUCTOSE	ME297374	0.66	0.66	0.98	0.92	0.54	0.90	1.62
PHENYLALANINE	ME297354	1.10	1.17	1.06	0.98	1.28	0.99	0.75
ACETAMINOPHEN	ME297355	1.22	1.07	1.09	1.23	0.43	1.21	0.79
ASPARAGINE (4TMS)	ME297353	1.06	1.05	1.00	0.58	1.15	0.88	0.92
GLUTARIC ACID	ME297336	0.96	1.30	0.98	0.96	0.98	0.96	0.95
1-STEAROYL-sn-GLYCERO-3-PHOSPHOCHOLINE derivative	ME297409	0.62	0.59	0.63	0.36	0.49	0.50	1.87
1,5-ANHYDRO-D-GLUCITOL	ME297373	0.99	0.98	0.79	0.08	0.80	0.76	1.18
PROLINE	ME297329	1.07	0.93	0.96	0.77	0.90	1.19	0.96
PYRUVIC ACID	ME297313	1.13	1.08	0.98	0.44	1.02	0.97	0.85
1-PALMITOYL-sn-GLYCERO-3-PHOSPHOCHOLINE derivative	ME297405	0.57	0.61	0.53	0.61	0.54	0.43	1.93
CYSTINE	ME297394	0.92	1.16	0.79	1.21	0.98	0.82	1.11
CITRIC ACID	ME297371	0.75	1.59	0.63	0.63	0.73	0.53	1.30
ADIPIC ACID	ME297344	1.01	1.00	1.30	0.82	1.39	0.89	0.85
GLYCINE	ME297317	0.96	1.15	0.93	0.77	0.99	0.76	1.05
Glutamine [-H2O] (2TMS) BP	ME297341	0.87	1.00	0.94	1.00	0.92	1.02	1.18
FUMARIC ACID	ME297331	0.89	1.15	1.16	0.98	0.99	1.31	1.00
ALPHA-TOCOPHEROL	ME297407	0.90	0.98	0.76	0.94	0.77	0.71	1.27
ADENOSINE	ME297406	1.16	0.63	0.58	1.71	0.70	0.60	1.13
GLYCOLIC ACID	ME297314	0.99	1.06	1.22	1.05	1.03	1.36	0.88

Factors:

F1	Category:NSTI \| Bacterial sp:Gr. A strep
F2	Category:NSTI \| Bacterial sp:Gr. G strep
F3	Category:NSTI \| Bacterial sp:Polymicrob.
F4	Category:NSTI \| Bacterial sp:S. anginous
F5	Category:NSTI \| Bacterial sp:S. aureus
F6	Category:NSTI \| Bacterial sp:Stap+Strep
F7	Category:Surgery \| Bacterial sp:None

Data matrix