Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004186)

(Analysis AN007231)

Metabolite	Structure	F1	F2	F3
Dopamine quinone	ME1189006	0.19	0.32	2.80
Ile-Phe	ME1189127	0.30	2.61	0.19
Adipoylcarnitine(AcCa(6:0-DC)	ME1189021	0.32	2.17	0.65
Methionine sulfone	ME1189015	0.03	2.54	0.63
2-Aminooctanoic acid	ME1189125	1.34	0.89	0.67
LysoPE(18:1p/0:0)	ME1189085	1.35	0.88	0.67
LysoPE(16:0p/0:0)	ME1189113	1.33	0.87	0.70
Phe-Trp	ME1189096	1.35	0.86	0.69
Asp-Leu	ME1189062	1.33	0.81	0.77
LysoPC(20:3/0:0)	ME1188983	1.30	0.84	0.77
Arachidylcarnitine(AcCa(20:0)	ME1189034	1.35	0.77	0.78
LysoPC(17:0/0:0)	ME1189010	1.36	0.80	0.74
LysoPC(20:2/0:0)	ME1189029	1.24	0.86	0.83
LysoPE(0:0/22:5n3)	ME1189003	1.25	0.85	0.83
LysoPC(0:0/20:3)	ME1188982	1.28	0.86	0.78
N-Acetylornithine	ME1189039	1.28	0.85	0.80
LysoPE(0:0/18:0)	ME1189042	1.26	0.86	0.81
LysoPE(18:0/0:0)	ME1189049	1.27	0.86	0.80
2-Oxoarginine	ME1189079	1.29	0.81	0.83
Spermine	ME1189142	1.27	0.79	0.87
Ile-Val	ME1189119	1.38	0.95	0.55
Porphobilinogen	ME1189115	1.49	0.70	0.68
Tyr-Glu	ME1189022	1.51	0.77	0.58
LysoPE(0:0/20:4)	ME1188999	1.43	0.76	0.69
LysoPE(0:0/20:3)	ME1189004	1.43	0.81	0.65
LysoPE(18:0p/0:0)	ME1189051	1.45	0.79	0.63
LysoPE(18:1/0:0)	ME1188985	1.47	0.77	0.63
25-Hydroxyvitamin D3	ME1189061	1.16	0.98	0.81
Ser-Phe	ME1189071	1.13	1.01	0.82
Val-Leu	ME1189090	1.15	1.01	0.79
Ile-Ile	ME1189005	1.17	1.05	0.72
Methylcysteine	ME1189094	1.16	1.05	0.74
Hexenoylcarnitine(AcCa(6:1)	ME1189068	1.14	1.04	0.77
N,N,N-trimethyl-5-aminovaleric acid	ME1189105	1.13	1.06	0.76
Pro-Hyp	ME1188996	0.98	0.97	1.06
Tiglylcarnitine(AcCa(5:1)	ME1189123	0.97	0.99	1.05
Sphingosine 1-phosphate	ME1189066	1.01	0.93	1.06
Butyrylcarnitine(AcCa(4:0)	ME1188989	1.02	0.95	1.03
Valerylcarnitine(AcCa(5:0)	ME1189104	1.01	0.97	1.02
Proline betaine	ME1189151	1.03	0.99	0.97
Octadecanamide	ME1189030	1.03	0.97	0.99
3-Amino-2-piperidone	ME1189152	1.02	0.99	0.99
Phe-Ser	ME1189083	1.02	0.99	0.99
3-Methoxytyrosine	ME1189095	1.01	1.01	0.98
L-Isoleucine	ME1189156	1.00	1.00	1.00
L-Leucine	ME1189157	1.00	1.00	1.00
Choline	ME1189140	1.00	0.99	1.01
gamma-Glu-Tyr	ME1189109	0.99	1.00	1.01
Betaine	ME1189141	1.02	1.02	0.95
Niacinamide	ME1189053	1.05	1.00	0.93
N(6)-Methyllysine	ME1189150	1.05	0.99	0.94
Prolinamide	ME1189007	1.05	0.99	0.95
Methionine sulfoxide	ME1189128	0.91	1.11	1.01
Gly-Phe	ME1189116	0.97	1.03	1.01
Ile-Gly	ME1189089	0.96	1.06	1.00
Dihydrothymine	ME1189057	0.93	1.06	1.03
L-Carnitine	ME1189155	0.94	1.03	1.04
N-Hexosyl Glutamine	ME1189064	0.95	1.01	1.06
Val-Ile + Leu-Val	ME1189101	0.99	1.17	0.83
N-Hexosyl Valine	ME1189108	0.92	1.16	0.93
Isobutyrylcarnitine(AcCa(iso4:0)	ME1189063	1.01	1.06	0.93
Leu-Gly	ME1189118	0.97	1.09	0.94
N-a-Acetyl-L-arginine	ME1189099	0.97	1.09	0.93
1-Pyrroline-5-carboxylic acid	ME1189019	1.08	0.89	1.01
Sphinganine 1-phosphate	ME1189044	1.06	0.91	1.01
2-Amino-5-methylhexanoic acid	ME1189135	1.05	0.90	1.04
Indoleacetic acid	ME1189110	1.07	0.88	1.04
N-Acetyl-L-phenylalanine	ME1189149	1.10	0.88	0.99
Creatine	ME1189145	1.09	0.92	0.97
Stearoylcarnitine(AcCa(18:0)	ME1189050	1.09	0.92	0.97
Gly-Glu	ME1189027	1.07	0.93	0.98
Isovalerylcarnitine(AcCa(iso5:0)	ME1189124	1.07	0.92	0.99
LysoPE(16:0/0:0)	ME1189002	1.17	0.93	0.86
Phe-Gly	ME1189138	1.19	0.91	0.85
2-Pyrrolidinone	ME1188978	1.15	0.92	0.89
LysoPC(16:0/0:0)	ME1188993	1.17	0.91	0.88
2-Aminoheptanoic acid	ME1189130	1.17	0.88	0.90
LysoPC(18:1/0:0)	ME1188984	1.17	0.88	0.90
Palmitic amide	ME1189040	1.19	0.88	0.88
LysoPC(20:0/0:0)	ME1189014	1.18	0.89	0.88
LysoPC(22:5n3/0:0)+LysoPC(0:0/22:5n6)	ME1188981	1.18	0.89	0.88
LysoPC(0:0/18:1)	ME1188994	1.15	0.89	0.92
N-Hexosyl Alanine	ME1188997	1.14	0.88	0.94
4-Guanidinobutanoic acid	ME1189037	1.17	0.85	0.93
LysoPC(20:1/0:0)	ME1189000	1.19	0.85	0.91
Decenoylcarnitine(AcCa(10:1) 2	ME1189013	1.09	1.00	0.87
Gly-Ile	ME1189088	1.11	0.99	0.86
Ile-Leu + Leu-Ile	ME1189098	1.09	0.96	0.91
Homo-L-Arg	ME1189087	1.08	0.96	0.93
Ile-Pro	ME1189070	1.09	0.95	0.94
Stearoylethanolamide	ME1189018	1.08	0.95	0.95
Homostachydrine	ME1189081	1.10	0.93	0.93
Linoleamide	ME1189026	1.10	0.93	0.95
Indole-3-carboxaldehyde	ME1189102	1.13	0.92	0.91
Adenosine	ME1189111	1.11	0.97	0.89
Urocanic acid	ME1189065	1.13	0.94	0.90
LysoPE(0:0/22:6)	ME1188992	1.13	0.95	0.89
N-Hexosyl Tyrosine	ME1189082	1.12	0.95	0.89
Ser-Tyr	ME1189147	1.14	0.76	1.08
Tryptophan betaine	ME1189131	1.11	0.80	1.06
Asp-Ile	ME1189129	1.24	0.71	1.00
LysoPC(22:4/0:0)	ME1188998	1.23	0.80	0.90
2-Aminonicotinic acid	ME1189100	1.19	0.81	0.95
LysoPC(19:0/0:0)	ME1188976	1.21	0.80	0.94
Serotonin	ME1189024	1.22	0.80	0.93
N,N,N-Trimethyl-alanyl-proline betaine	ME1189038	0.53	1.36	1.24
Sphingosine	ME1189023	0.77	1.32	0.97
N-Hexosyl Isoleucine	ME1189075	0.75	1.28	1.03
Trp-Glu	ME1189120	0.76	1.24	1.05
N-Acetylasparagine	ME1188977	0.42	1.18	1.58
Asp-Phe	ME1189154	0.67	1.08	1.35
Ser-Leu	ME1189107	0.64	1.08	1.39
Biliverdin isomer2	ME1188990	0.61	1.20	1.29
S-Methylmethionine	ME1189041	0.60	1.16	1.35
Leu-Pro	ME1189136	0.64	0.91	1.57
Hexadecenoylcarnitine(AcCa(16:1)	ME1188979	0.62	0.99	1.51
His-Trp	ME1189035	0.63	1.01	1.48
Spermidine	ME1189103	0.65	1.00	1.46
gamma-Glu-Glu	ME1189060	0.56	1.13	1.45
Human Fibrinopeptide B residual [1-9, XGVNDNEEG]	ME1189074	0.55	1.07	1.52
N1-Acetylspermidine+N8-Acetylspermidine	ME1189046	0.60	1.06	1.47
gamma-Glu-Ile	ME1189078	0.81	1.06	1.18
Icosadienoylcarnitine(AcCa(20:2)	ME1189011	0.79	1.07	1.20
2-Methylguanosine	ME1189020	0.76	1.05	1.27
4-Acetamidobutanoic acid	ME1189093	0.77	1.03	1.27
Glu-Trp	ME1189056	0.79	1.05	1.23
Cortisol	ME1189048	0.77	1.06	1.24
Cytidine	ME1189017	0.78	1.04	1.25
Eicoseneoylcarnitine(AcCa(20:1)	ME1189058	0.80	1.00	1.26
Tridecanoylcarnitine(AcCa(13:0)	ME1189028	0.80	0.99	1.28
Human Fibrinopeptide A	ME1189072	0.82	1.02	1.22
N-(3-acetamidopropyl)pyrrolidin-2-one	ME1189153	0.82	1.00	1.24
N2,N2-Dimethylguanosine	ME1189036	0.72	1.02	1.35
Oleoylcarnitine(AcCa(18:1)	ME1189008	0.75	1.03	1.31
1-Methylinosine	ME1189122	0.72	1.07	1.29
Biliverdin isomer3	ME1189080	0.72	1.08	1.29
Leu-Phe	ME1189134	0.69	1.13	1.27
gamma-Glu-Met	ME1189112	0.72	1.11	1.24
Inosine	ME1189045	0.72	1.10	1.26
1-Methylguanosine	ME1189069	0.87	0.97	1.21
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	ME1189097	0.88	0.96	1.21
5-Hydroxyindoleacetic acid	ME1189052	0.93	0.92	1.17
Glutarylcarnitine(AcCa(5:0-DC)	ME1189012	0.94	0.94	1.14
Urea	ME1189092	0.81	1.10	1.15
5^-Methylthioadenosine	ME1189073	0.83	1.11	1.10
ADMA+SDMA	ME1189146	0.82	1.11	1.12
Quinolinic acid	ME1189054	0.81	1.12	1.12
Palmitoylcarnitine(AcCa(16:0)	ME1188995	0.90	0.99	1.14
Gly-Leu	ME1189091	0.92	0.99	1.11
L-Kynurenine	ME1189139	0.92	1.00	1.10
Methylimidazoleacetic acid	ME1189032	0.91	1.01	1.11
N6,N6,N6-Trimethyl-L-lysine	ME1189043	0.90	1.02	1.11
1-Methyladenosine	ME1189031	0.88	1.04	1.11
4-Trimethylammoniobutanoic acid	ME1189067	0.89	1.04	1.11
gamma-Glu-Thr	ME1189016	0.88	1.06	1.09
Hydroxyisovaleroyl carnitine(AcCa(5:0-OH)	ME1189001	0.88	1.07	1.08
Uridine+Pseudouridine	ME1189106	0.88	1.07	1.08
7-Methylguanine	ME1189143	0.85	1.07	1.13
gamma-Glu-Val	ME1189084	0.83	1.07	1.15
gamma-Glu-Ala	ME1189114	0.85	1.03	1.17
Linoleylcarnitine(AcCa(18:2)	ME1188991	0.86	1.03	1.15
gamma-Glu-Leu	ME1189133	0.87	1.03	1.14
Linolenylcarnitine(AcCa(18:3)	ME1188980	0.87	1.04	1.13
Phe-Glu	ME1189126	1.01	0.83	1.17
Trimethylamine N-oxide	ME1189117	0.97	0.81	1.25
N2-Methylguanine	ME1189033	0.89	0.82	1.34
N-acetyltryptophan	ME1189059	0.89	0.84	1.32
Pantothenol	ME1189009	0.85	0.79	1.42
Decanoylcarnitine(AcCa(10:0)	ME1188988	0.89	0.76	1.40
Octanoylcarnitine(AcCa(8:0)	ME1188987	0.89	0.78	1.38
1-Methylnicotinamide	ME1189144	0.74	0.92	1.42
Hexanoylcarnitine(AcCa(6:0)	ME1188986	0.77	0.93	1.39
Butenylcarnitine(AcCa(4:1)	ME1189077	0.80	0.84	1.43
Pyroglutamine	ME1189132	0.77	0.85	1.47
Piperine	ME1189148	1.56	1.04	0.21
Caffeine	ME1189076	2.18	0.29	0.20
Theophylline	ME1189137	1.97	0.29	0.47
Oleamide	ME1189055	1.65	0.60	0.56
Theobromine	ME1189121	1.72	0.64	0.45
Trigonelline	ME1189025	1.66	0.36	0.82
Nonanoylcarnitine(AcCa(9:0)	ME1189086	1.47	0.59	0.81
Undecanoylcarnitine(AcCa(11:0)	ME1189047	1.55	0.56	0.75

Factors:

F1	Sample source:Blood \| Disease:Healthy
F2	Sample source:Blood \| Disease:Liver Depression and Qi Stagnation
F3	Sample source:Blood \| Disease:Liver-Gallbladder Damp-Heat

Data matrix