Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002903)

(Analysis AN004762)

Metabolite	Structure	F1	F2
glycocholate	ME754741	0.24	1.80
metronidazole	ME754766	0.00	2.05
verapamil	ME754813	NA	1.00
warfarin	ME754814	0.07	1.37
C16:0 LPC	ME754820	1.52	0.46
hydroxycotinine	ME754749	1.51	0.47
C18:0 LPC	ME754824	1.60	0.37
C18:2 LPE	ME754836	1.54	0.44
C20:4 LPE	ME754840	1.54	0.43
C20:3 LPC A	ME754827	1.57	0.40
C16:1 LPC plasmalogen	ME754832	1.57	0.40
C20:1 LPC	ME754829	1.57	0.40
C18:1 LPC plasmalogen	ME754833	1.56	0.41
C20:3 LPC B	ME754828	1.56	0.42
C18:0 LPE B	ME754839	1.56	0.42
C20:0 LPE	ME754842	1.56	0.42
C18:2 LPC	ME754822	1.45	0.53
C18:1 LPC	ME754823	1.44	0.54
C20:4 LPC	ME754826	1.44	0.54
C18:3 LPE	ME754835	1.45	0.50
C22:5 LPC	ME754831	1.47	0.50
thiamine	ME754803	1.48	0.50
C14:0 LPC	ME754818	1.46	0.52
alpha-glycerophosphocholine	ME754689	1.47	0.51
C20:1 LPE	ME754841	1.46	0.51
C18:0 LPE A	ME754838	1.41	0.57
C22:6 LPE	ME754843	1.42	0.56
C26 carnitine	ME754723	1.38	0.58
C18:1 LPE	ME754837	1.39	0.59
2-aminoisobutyric acid	ME754667	1.39	0.59
4-pyridoxate	ME754676	1.39	0.59
C18:3 LPC	ME754821	1.40	0.58
C16:0 LPE	ME754834	1.40	0.58
C16:1 LPC	ME754819	1.40	0.58
N-acetylmethionine	ME754778	1.38	0.66
methylguanidine	ME754763	1.36	0.61
C20:5 LPC	ME754825	1.36	0.63
C22:6 LPC	ME754830	1.35	0.63
valsartan	ME754812	1.49	0.02
atenolol	ME754694	2.00	0.00
metoprolol	ME754765	1.86	0.42
sulfamethoxazole	ME754801	1.82	0.18
acetaminophen	ME754680	0.66	1.36
adenosine	ME754684	0.65	1.37
1-methyladenosine	ME754664	0.64	1.37
glycodeoxycholate/glycochenodeoxycholate	ME754742	0.64	1.38
diacetylspermine	ME754733	0.55	1.47
imidazole propionate	ME754752	0.57	1.45
methyl N-methylanthranilate	ME754762	0.56	1.46
phenylacetylglutamine	ME754791	0.62	1.40
kynurenic acid	ME754755	0.59	1.43
cortisol	ME754727	0.60	1.42
N-carbamoyl-beta-alanine	ME754783	0.60	1.42
3-methoxytyramine	ME754670	0.39	1.64
3-(N-acetyl-L-cystein-S-yl) acetaminophen	ME754669	0.48	1.41
C4-OH carnitine	ME754705	0.47	1.56
L-alpha-glutamyl-L-lysine	ME754756	0.51	1.52
C5:1 carnitine	ME754707	0.49	1.53
sphinganine	ME754878	0.49	1.54
C16:0 SM	ME754871	1.09	0.90
C34:2 PE plasmalogen	ME754861	1.10	0.90
C36:5 PE plasmalogen	ME754862	1.10	0.90
homocitrulline	ME754748	1.11	0.88
C38:6 PC plasmalogen	ME754852	1.11	0.89
C18:1 carnitine	ME754721	1.10	0.89
choline	ME754725	1.10	0.89
3-methylxanthine	ME754672	1.07	0.93
C18:0 SM	ME754873	1.07	0.92
valine	ME754811	1.07	0.92
N1-methyl-2-pyridone-5-carboxamide	ME754769	1.08	0.92
caffeine	ME754699	1.09	0.91
leucine	ME754757	1.08	0.91
C38:7 PE plasmalogen	ME754864	1.08	0.91
arginine	ME754691	1.08	0.91
C16:1 SM	ME754870	1.08	0.91
C14:0 SM	ME754869	1.13	0.87
C40:7 PE plasmalogen	ME754867	1.12	0.87
3-hydroxyhippurate	ME754675	1.14	0.86
citrulline	ME754726	1.14	0.86
C22:1 SM	ME754875	1.13	0.86
C38:7 PC plasmalogen	ME754851	1.13	0.86
C34:2 DAG_Na	ME754882	1.19	0.81
C22:0 SM	ME754876	1.18	0.81
homoarginine	ME754747	1.18	0.81
C38:6 PE plasmalogen	ME754865	1.15	0.85
isoleucine	ME754754	1.15	0.84
C20:0 SM	ME754874	1.17	0.82
C38:5 PE plasmalogen	ME754866	1.16	0.83
piperine	ME754794	1.16	0.83
metformin	ME754759	1.10	0.70
allopurinol riboside	ME754688	1.27	0.87
1,7-dimethyluric acid	ME754662	1.31	0.69
C34:1 DAG_Na	ME754881	1.26	0.73
5-acetylamino-6-amino-3-methyluracil	ME754677	1.24	0.74
C34:3 PE plasmalogen	ME754860	1.25	0.74
allantoin	ME754687	1.21	0.78
N-lauroylglycine	ME754786	1.23	0.76
C18:2 carnitine	ME754722	1.23	0.76
C36:3 PE plasmalogen	ME754863	1.23	0.76
1-carboxymethylmetronidazole	ME754663	0.60	1.13
glutamate	ME754738	0.98	1.02
N6,N6-dimethyllysine	ME754773	0.97	1.03
C38:4 PE	ME754858	0.97	1.03
C36:4 PE	ME754855	0.97	1.03
C14:2 carnitine	ME754718	0.97	1.03
C34:3 PC plasmalogen	ME754849	0.97	1.03
biliverdin	ME754697	0.96	1.04
C24:1 ceramide (d18:1)	ME754880	0.97	1.04
threonine	ME754804	0.93	1.07
proline	ME754795	0.93	1.07
N-acetylaspartic acid	ME754777	0.93	1.07
C34:3 PC	ME754847	0.93	1.07
1-methylguanosine	ME754666	0.93	1.07
butyrobetaine	ME754698	0.93	1.07
methylimidazoleacetic acid	ME754764	0.94	1.07
N-ethylglycinexylidide	ME754784	0.94	1.07
methionine	ME754760	0.92	1.08
taurine	ME754802	0.93	1.08
2-deoxyuridine	ME754668	0.93	1.08
lysine	ME754758	0.93	1.08
betaine	ME754695	0.96	1.05
xanthosine	ME754817	0.95	1.05
C34:4 PC	ME754846	0.95	1.05
ADMA	ME754685	0.95	1.05
C34:2 PE	ME754853	0.95	1.05
aspartate	ME754693	0.94	1.06
SDMA	ME754798	0.94	1.06
C38:6 PE	ME754857	0.95	1.06
glycine	ME754740	0.95	1.06
NMMA	ME754788	1.03	0.97
4-hydroxy-3-methylacetophenone	ME754674	1.03	0.96
C18 carnitine	ME754720	1.04	0.96
dimethylglycine	ME754734	1.04	0.96
pipecolic acid	ME754793	1.06	0.94
C16 carnitine	ME754719	1.06	0.94
C36:5 PC plasmalogen	ME754850	1.06	0.94
tryptophan	ME754807	1.05	0.95
guanidinoacetic acid	ME754743	1.05	0.95
C18:1 SM	ME754872	1.05	0.95
C36:2 PC	ME754848	1.05	0.95
C36:2 PS plasmalogen	ME754868	0.99	1.01
ectoine	ME754736	0.99	1.01
urate	ME754809	1.00	1.01
N-methylproline	ME754787	1.00	1.00
N6-methyllysine	ME754772	1.00	1.00
myristoleic acid	ME754767	1.00	1.00
C36:2 PE	ME754856	1.00	1.00
cytosine	ME754732	1.00	1.00
S-methyl-L-cysteine-S-oxide	ME754800	1.02	0.98
phenylalanine-d8 [iSTD]	ME754660	1.02	0.98
inosine	ME754753	1.02	0.98
3-methylhistidine	ME754671	1.02	0.98
bilirubin	ME754696	1.02	0.98
valine-d8 [iSTD]	ME754661	1.01	0.99
serine	ME754799	1.01	0.99
niacinamide	ME754785	1.01	0.99
C32:2 PC	ME754845	1.01	0.99
carnitine	ME754700	1.01	0.99
DMGV	ME754735	0.68	1.33
xanthopterin	ME754816	0.71	1.30
trimethylamine-N-oxide	ME754806	0.72	1.29
N-acetylputrescine	ME754780	0.72	1.30
creatine	ME754729	0.72	1.30
methionine sulfoxide	ME754761	0.72	1.30
alpha-hydroxymetoprolol	ME754690	0.70	1.23
cystine	ME754731	0.74	1.27
C7 carnitine	ME754710	0.76	1.25
asparagine	ME754692	0.75	1.26
N-acetylalanine	ME754776	0.75	1.26
C8 carnitine	ME754711	0.76	1.26
urocanic acid	ME754810	0.76	1.26
acisoga	ME754683	0.79	1.22
C10 carnitine	ME754713	0.77	1.25
proline-betaine	ME754796	0.77	1.24
alanine	ME754686	0.77	1.24
C4 carnitine	ME754704	0.77	1.24
C5 carnitine	ME754706	0.78	1.23
C6 carnitine	ME754709	0.78	1.24
C3-DC-CH3 carnitine	ME754703	0.85	1.16
C9 carnitine	ME754712	0.85	1.16
tyrosine	ME754808	0.84	1.16
N-acetyltryptophan	ME754781	0.84	1.16
C12:1 carnitine	ME754715	0.84	1.16
C5-DC carnitine	ME754708	0.84	1.16
C3 carnitine	ME754702	0.84	1.17
hippurate	ME754745	0.84	1.17
C14 carnitine	ME754716	0.81	1.20
C-glycosyltryptophan	ME754724	0.81	1.21
glutamine	ME754739	0.83	1.18
N2,N2-dimethylguanosine	ME754770	0.83	1.18
N6,N6,N6-trimethyllysine	ME754774	0.81	1.19
sphingosine	ME754877	0.82	1.19
ornithine	ME754789	0.82	1.19
7-methylguanine	ME754679	0.82	1.19
N-acetylornithine	ME754779	0.82	1.19
acetaminophen glucuronide	ME754681	0.83	1.11
trigonelline	ME754805	0.90	1.11
C34:0 PE	ME754854	0.90	1.11
C40:6 PE	ME754859	0.90	1.11
C16:0 ceramide (d18:1)	ME754879	0.91	1.09
C2 carnitine	ME754701	0.91	1.09
histidine	ME754746	0.91	1.10
guanosine	ME754744	0.91	1.10
5-hydroxymethyl-4-methyluracil	ME754678	0.91	1.10
C14:1 carnitine	ME754717	0.91	1.10
N6-acetyllysine	ME754775	0.90	1.10
GABA	ME754737	0.90	1.10
acetyl-galactosamine	ME754682	0.90	1.10
creatinine	ME754730	0.90	1.10
C30:0 PC	ME754844	0.89	1.12
xanthine	ME754815	0.89	1.12
cotinine	ME754728	0.88	1.13
C12 carnitine	ME754714	0.88	1.12
pseudouridine	ME754797	0.88	1.12
pantothenate	ME754790	0.87	1.14
N4-acetylcytidine	ME754771	0.87	1.14
N1-acetylspermidine	ME754768	0.87	1.14
hypotaurine	ME754751	0.87	1.14
4-acetamidobutanoate	ME754673	0.87	1.14
hydroxyproline	ME754750	0.87	1.14
phenylalanine	ME754792	0.86	1.14
1-methylguanine	ME754665	0.86	1.15
N-alpha-acetylarginine	ME754782	0.86	1.15

Factors:

F1	Group:Control
F2	Group:Septic Shock

Data matrix