Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002196)

(Analysis AN003595)

Metabolite	Structure	F1	F2	F3
C3-DC (C4-OH)	ME534419	0.78	1.83	1.14
C2	ME534417	1.03	2.08	0.76
Gln	ME534433	1.21	1.80	0.68
lysoPC a C26:0	ME534472	0.94	0.24	1.18
lysoPC a C28:0	ME534473	1.07	0.31	1.11
Met-SO	ME534456	0.79	0.08	1.30
C14:1-OH	ME534422	0.88	NA	1.08
PC aa C30:2	ME534478	0.95	0.04	1.06
SM C22:3	ME534560	0.89	1.48	0.98
PC aa C38:6	ME534499	1.14	1.50	0.82
PC aa C40:6	ME534505	1.24	1.36	0.78
PC aa C38:4	ME534497	1.24	1.31	0.79
PC aa C38:5	ME534498	1.20	1.32	0.81
PC ae C36:5	ME534526	1.15	1.35	0.84
PC ae C38:5	ME534532	1.16	1.34	0.84
PC ae C38:6	ME534533	1.19	1.38	0.81
Serotonin	ME534459	1.21	1.42	0.79
PC aa C36:4	ME534491	1.15	1.25	0.86
PC ae C36:4	ME534525	1.13	1.25	0.87
PC aa C36:5	ME534492	1.14	1.16	0.88
PC aa C40:5	ME534504	1.17	1.16	0.87
C14:2	ME534423	1.10	1.42	0.89
SM (OH) C22:1	ME534552	1.05	1.29	0.91
lysoPC a C20:4	ME534470	1.08	1.32	0.89
PC ae C40:6	ME534539	1.04	1.35	0.91
SM (OH) C22:2	ME534553	1.05	1.33	0.91
C18:1	ME534426	0.91	1.14	1.03
PC ae C34:0	ME534517	0.94	1.03	1.03
PC ae C34:1	ME534518	0.95	1.03	1.02
PC ae C32:1	ME534515	0.98	1.03	1.01
SM C16:0	ME534555	0.95	1.06	1.02
SM C24:1	ME534562	0.96	1.05	1.01
PC ae C38:4	ME534531	0.98	1.05	1.01
C3	ME534418	0.97	1.06	1.01
PC ae C34:2	ME534519	0.97	1.07	1.01
SM C16:1	ME534556	0.96	1.09	1.01
PC aa C28:1	ME534476	0.93	1.07	1.03
Trp	ME534446	0.93	1.10	1.03
C14:1	ME534421	0.94	1.12	0.98
PC aa C36:6	ME534493	0.98	1.11	0.99
lysoPC a C18:2	ME534468	0.98	1.13	0.99
SM C18:0	ME534557	0.97	1.13	1.00
PC ae C44:6	ME534549	1.02	1.13	0.96
PC ae C36:3	ME534524	1.00	1.11	0.98
SM C24:0	ME534561	1.01	1.10	0.98
Creatinine	ME534453	1.02	1.07	0.97
PC ae C44:5	ME534548	1.02	1.09	0.97
PC aa C38:3	ME534496	1.12	1.07	0.91
PC ae C36:0	ME534521	1.10	1.08	0.92
Cit	ME534432	1.07	1.07	0.94
PC aa C36:3	ME534490	1.07	1.10	0.94
lysoPC a C20:3	ME534469	1.06	1.12	0.94
SM (OH) C24:1	ME534554	1.07	1.13	0.93
H1	ME534565	1.08	0.98	0.96
PC aa C34:4	ME534486	1.07	1.02	0.95
PC aa C36:1	ME534488	1.01	0.97	1.00
PC aa C36:2	ME534489	1.02	1.01	0.99
lysoPC a C17:0	ME534465	0.88	1.33	1.01
Met	ME534440	0.87	1.33	1.00
lysoPC a C16:0	ME534463	0.92	1.20	1.01
lysoPC a C18:0	ME534466	0.94	1.20	1.00
SM C18:1	ME534558	1.00	1.18	0.96
SM C20:2	ME534559	0.99	1.19	0.97
SM (OH) C14:1	ME534550	0.96	1.21	0.98
SM (OH) C16:1	ME534551	0.98	1.22	0.97
PC ae C38:0	ME534527	0.95	1.34	0.96
lysoPC a C18:1	ME534467	0.98	1.27	0.96
lysoPC a C16:1	ME534464	0.97	1.27	0.96
PC ae C34:3	ME534520	0.97	1.27	0.96
PC aa C38:1	ME534495	0.68	0.65	1.26
Asp	ME534431	0.68	0.37	1.32
PC ae C38:1	ME534528	0.72	0.40	1.28
PC aa C24:0	ME534475	0.85	0.41	1.18
PC aa C40:2	ME534501	0.89	0.48	1.17
Glu	ME534434	0.76	0.47	1.25
PC ae C38:2	ME534529	0.80	0.48	1.23
PC aa C40:3	ME534502	0.82	0.54	1.20
PC aa C42:4	ME534509	0.75	0.57	1.24
PC ae C36:1	ME534522	0.77	0.53	1.23
t4-OH-Pro	ME534461	1.16	0.52	1.00
PC ae C42:0	ME534540	1.06	0.76	1.01
PC aa C40:1	ME534500	1.00	0.67	1.04
alpha-AAA	ME534451	1.01	0.59	1.07
Taurine	ME534462	1.06	0.58	1.05
lysoPC a C28:1	ME534474	0.74	1.13	1.12
PC ae C40:5	ME534538	0.73	0.99	1.16
Asn	ME534430	0.84	1.05	1.09
PC ae C30:0	ME534512	0.84	0.98	1.10
PC ae C42:5	ME534545	0.80	0.96	1.13
PC aa C32:0	ME534479	0.91	0.88	1.08
Gly	ME534435	0.86	0.86	1.11
ADMA	ME534450	0.86	0.89	1.11
His	ME534436	0.87	0.89	1.10
PC aa C30:0	ME534477	0.88	0.87	1.10
Spermidine	ME534460	0.89	0.88	1.09
PC aa C42:0	ME534506	0.98	0.82	1.05
PC ae C40:1	ME534534	0.96	0.84	1.05
PC ae C36:2	ME534523	0.88	0.82	1.11
SM C26:1	ME534564	0.91	0.83	1.09
PC aa C34:3	ME534485	0.94	0.79	1.08
PC ae C44:4	ME534547	0.92	0.76	1.10
Val	ME534448	0.90	0.79	1.10
C0	ME534416	1.06	0.90	0.98
C18	ME534425	1.02	0.87	1.01
PC aa C32:2	ME534481	0.90	0.99	1.06
SDMA	ME534458	0.91	0.95	1.06
PC aa C32:3	ME534482	0.96	0.91	1.04
PC aa C42:6	ME534511	0.96	0.91	1.04
C16	ME534424	1.00	0.91	1.02
C4	ME534420	0.98	0.91	1.03
PC ae C32:2	ME534516	0.95	0.99	1.03
PC aa C34:1	ME534483	0.96	0.97	1.03
PC aa C34:2	ME534484	0.95	0.97	1.03
C18:2	ME534427	0.98	0.94	1.02
PC aa C38:0	ME534494	0.98	0.97	1.02
Kynurenine	ME534455	0.71	0.78	1.22
PC ae C30:1	ME534513	0.74	0.80	1.19
PC ae C44:3	ME534546	0.74	0.82	1.19
Leu	ME534438	0.75	0.89	1.19
SM C26:0	ME534563	0.75	0.86	1.18
Arg	ME534429	0.80	0.89	1.15
Thr	ME534445	0.81	0.88	1.14
Putrescine	ME534457	0.79	0.85	1.14
PC ae C42:4	ME534544	0.80	0.84	1.15
Phe	ME534442	0.81	0.83	1.15
Ac-Orn	ME534449	0.93	0.64	1.12
PC ae C42:1	ME534541	0.93	0.61	1.12
PC aa C32:1	ME534480	0.92	0.71	1.11
PC ae C42:2	ME534542	0.94	0.69	1.10
PC ae C40:2	ME534535	0.89	0.69	1.13
Pro	ME534443	0.90	0.66	1.12
Ser	ME534444	0.80	0.78	1.16
PC aa C40:4	ME534503	0.86	0.79	1.13
PC aa C42:5	ME534510	0.82	0.80	1.15
PC ae C40:4	ME534537	0.84	0.80	1.14
lysoPC a C24:0	ME534471	0.86	0.73	1.08
PC ae C42:3	ME534543	0.86	0.74	1.13
Ala	ME534428	0.88	0.75	1.12
PC aa C42:1	ME534507	0.87	0.75	1.13
PC aa C36:0	ME534487	0.81	0.64	1.19
Orn	ME534441	0.84	0.68	1.16
Tyr	ME534447	0.86	0.65	1.16
PC ae C30:2	ME534514	0.79	0.70	1.19
Ile	ME534437	0.77	0.71	1.19
PC aa C42:2	ME534508	0.78	0.73	1.19
PC ae C40:3	ME534536	0.84	0.74	1.15
Lys	ME534439	0.81	0.71	1.17
PC ae C38:3	ME534530	0.83	0.72	1.16

Factors:

F1	Factor:AS
F2	Factor:Healthy control
F3	Factor:IIM

Data matrix