Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003930)

(Analysis AN006453)

Metabolite	Structure	F1	F2	F3
N2,N2-dimethylguanosine	ME1043533	0.00	4.65	0.01
1-methyladenosine	ME1043415	0.01	3.64	0.26
1-methylguanosine	ME1043417	0.36	3.53	0.27
niacinamide	ME1043550	0.35	3.23	0.43
glucosamine	ME1043498	0.34	3.36	0.37
PE(38:4)	ME1043623	0.26	3.39	0.31
LPE(18:0)	ME1043611	0.72	2.91	0.28
LPC(18:0)	ME1043600	0.98	2.58	0.22
LPC(16:1)	ME1043595	1.08	2.70	0.08
1-methylnicotinamide	ME1043419	1.18	2.69	0.00
LPC(20:4)	ME1043602	1.18	2.59	0.05
stercobilin	ME1043589	NA	0.00	1.08
N-acetylhistamine	ME1043542	0.83	0.00	1.64
nicotinate	ME1043551	0.65	0.01	1.79
glutamate	ME1043499	0.64	0.45	1.57
isoleucine	ME1043518	0.58	0.36	1.67
leucine	ME1043521	0.63	0.38	1.62
serotonin	ME1043577	0.67	0.35	1.60
3-methylhistidine	ME1043424	0.55	0.26	1.75
lysine	ME1043524	0.56	0.27	1.73
phenylalanine	ME1043561	0.57	0.30	1.71
tyrosine	ME1043588	0.54	0.30	1.73
alanine	ME1043441	0.62	0.20	1.72
acetyl-galactosamine	ME1043435	0.67	0.23	1.66
pyridoxamine	ME1043571	0.67	0.26	1.65
taurine	ME1043579	0.37	0.22	1.92
anthranilic acid	ME1043446	0.33	0.05	2.03
1-methylhistamine	ME1043418	0.38	0.13	1.95
betalanine	ME1043451	0.36	0.11	1.97
N-carbamoyletalanine	ME1043549	0.47	0.26	1.81
trigonelline	ME1043582	0.44	0.28	1.83
valine	ME1043592	0.43	0.29	1.84
methionine	ME1043525	0.45	0.19	1.87
N-methylserotonin	ME1043554	0.54	0.21	1.78
tryptamine	ME1043585	0.50	0.21	1.81
histamine	ME1043506	0.49	0.20	1.83
tyramine	ME1043587	0.50	0.19	1.82
leu-gly	ME1043522	0.35	0.34	1.87
anserine	ME1043445	0.37	0.42	1.81
beta-guanidinopropionic acid	ME1043452	0.43	0.38	1.78
inosine	ME1043517	0.01	0.56	2.05
butyrobetaine	ME1043458	0.03	0.03	2.30
citrulline	ME1043488	0.02	0.02	2.30
imidazole propionate	ME1043513	0.01	0.00	2.32
N-methylproline	ME1043553	0.02	0.01	2.31
ectoine	ME1043496	0.06	0.03	2.27
2-deoxyadenosine	ME1043421	0.08	0.04	2.25
N-acetylhistidine	ME1043543	0.08	0.06	2.24
pterin	ME1043569	0.04	0.01	2.13
N-acetylaspartic acid	ME1043540	0.15	0.01	2.20
phosphocholine	ME1043562	0.17	0.02	2.18
adenosine	ME1043437	0.18	0.06	2.15
N-acetylornithine	ME1043545	0.16	0.08	2.16
ornithine	ME1043558	0.14	0.08	2.18
urocanic acid	ME1043591	0.21	0.14	2.09
methylimidazoleacetic acid	ME1043528	0.16	0.25	2.08
atenolol	ME1043450	0.19	0.22	2.07
ala-ala	ME1043440	0.19	0.19	2.08
xanthine	ME1043593	0.17	0.19	2.10
allopurinol riboside	ME1043443	0.10	0.23	2.13
Cer(d18:1/24:1)	ME1043635	0.08	0.14	2.13
xanthosine	ME1043594	0.06	0.35	2.11
bilirubin	ME1043454	0.21	0.29	2.02
guanidinoacetic acid	ME1043503	0.21	0.34	1.99
pseudouridine	ME1043568	0.17	0.38	2.00
trimethylamine-N-oxide	ME1043583	0.02	0.31	1.64
O-methyladenosine	ME1043557	0.00	0.01	1.75
3-methoxytyramine	ME1043423	0.23	0.03	1.80
hypotaurine	ME1043512	0.15	0.22	1.82
N4-acetylcytidine	ME1043534	0.25	0.91	1.67
4-aminohippuric acid	ME1043427	0.72	0.59	1.83
serine	ME1043576	0.75	0.72	1.35
thiamine	ME1043580	0.76	0.72	1.34
methylguanidine	ME1043527	0.68	0.74	1.39
piperine	ME1043564	0.70	0.67	1.42
methionine sulfoxide	ME1043526	0.58	0.63	1.54
sphinganine	ME1043633	0.64	0.60	1.50
C34:1 DAG or TAG NH4 adduct	ME1043637	0.64	0.56	1.52
N6-acetyllysine	ME1043538	0.64	0.55	1.52
imidazoleacetic acid	ME1043514	0.77	0.60	1.39
pipecolic acid	ME1043563	0.72	0.54	1.46
C20 carnitine	ME1043484	0.47	0.50	1.65
histidine	ME1043507	0.52	0.71	1.55
hydroxyproline	ME1043511	0.51	0.71	1.55
acetylcholine	ME1043434	1.00	0.80	1.11
2-deoxycytidine	ME1043422	0.88	0.80	1.20
trimethylbenzene	ME1043584	0.85	0.73	1.26
salsolinol	ME1043574	0.85	0.62	1.32
N1-acetylspermidine	ME1043531	0.94	0.62	1.24
SDMA	ME1043575	0.97	0.51	1.27
GABA	ME1043497	1.06	0.40	1.25
N6,N6-dimethyllysine	ME1043536	1.04	0.52	1.21
tryptophan	ME1043586	1.11	0.52	1.15
2-aminoisobutyric acid	ME1043420	0.91	0.06	1.16
4-pyridoxate	ME1043429	0.77	0.42	1.48
aspartate	ME1043449	0.75	0.43	1.49
N-acetylleucine	ME1043544	0.85	0.42	1.41
prolineetaine	ME1043567	0.87	0.35	1.44
glycine	ME1043501	0.84	0.33	1.47
putrescine	ME1043570	0.84	0.30	1.49
biotin	ME1043457	0.95	0.22	1.44
C7 carnitine	ME1043469	0.99	0.28	1.37
guanidinosuccinic acid	ME1043504	0.97	0.28	1.39
pantothenate	ME1043559	1.08	0.10	1.38
indoleacetic acid	ME1043515	0.92	0.07	1.45
pyridoxine	ME1043572	0.93	0.13	1.49
C4 carnitine	ME1043464	2.15	0.67	0.21
C5 carnitine	ME1043466	2.36	0.66	0.04
5-methylcytosine	ME1043432	2.17	0.45	0.30
C4-OH carnitine	ME1043465	2.20	0.44	0.28
pyroglutamic acid	ME1043573	2.16	0.31	0.38
sphingosine	ME1043631	2.13	0.26	0.43
urobilinogen	ME1043590	2.03	0.00	0.39
diacetylspermine	ME1043494	2.26	0.06	0.42
3-methylxanthine	ME1043425	2.40	0.04	0.25
PE(34:2)	ME1043619	2.40	0.12	0.27
N-acetylputrescine	ME1043546	1.74	0.23	0.77
alpha-glycerophosphocholine	ME1043444	1.84	0.34	0.63
proline	ME1043566	1.81	0.37	0.64
homoarginine	ME1043509	1.70	0.51	0.66
pantothenol	ME1043560	1.71	0.42	0.70
4-acetamidobutanoate	ME1043426	1.16	0.28	1.23
N-acetylglutamine	ME1043541	1.33	0.21	1.12
kynurenic acid	ME1043519	1.35	0.54	0.94
N-acetyltryptophan	ME1043547	1.30	0.52	0.99
linoleoyl ethanolamide	ME1043523	1.49	0.44	0.87
1-methylguanine	ME1043416	1.57	0.26	0.90
nor-psi-tropine	ME1043556	1.46	0.31	0.96
C18 carnitine	ME1043480	1.33	1.02	0.71
L-alpha-glutamyl-L-lysine	ME1043520	1.64	0.91	0.51
ADMA	ME1043438	1.57	0.84	0.61
C18:1 carnitine	ME1043481	1.56	0.91	0.58
arginine	ME1043447	1.54	0.72	0.69
N6,N6,N6-trimethyllysine	ME1043537	1.42	0.76	0.77
NMMA	ME1043555	1.42	0.70	0.80
PE(P-34:2)/PE(O-34:3)	ME1043624	1.86	0.82	0.37
cadaverine	ME1043459	1.93	0.64	0.40
N-acetylalanine	ME1043539	1.85	0.72	0.43
choline	ME1043487	1.76	1.06	0.34
4-guanidinobutanoic acid	ME1043428	1.60	1.12	0.44
DMGV	ME1043495	1.62	1.12	0.43
C3 carnitine	ME1043462	1.88	1.16	0.18
C16-OH carnitine	ME1043479	2.01	1.03	0.14
C18:2 carnitine	ME1043483	2.04	1.03	0.12
guanosine	ME1043505	0.00	2.06	1.30
methylthioadenosine	ME1043529	0.08	2.23	1.15
5-methylcytidine	ME1043431	0.53	2.51	0.64
PE(P-36:4)/PE(O-36:5)	ME1043626	0.56	2.32	0.71
PE(P-38:5)/PE(O-38:6)	ME1043628	0.48	2.29	0.79
PC(P-36:4)/PC(O-36:5)	ME1043618	0.44	2.11	0.92
cytidine	ME1043492	0.53	1.98	0.90
cytosine	ME1043493	0.51	2.05	0.88
LPE(18:1)	ME1043610	0.92	1.85	0.64
PC(30:0)	ME1043613	0.78	1.90	0.73
PE(P-36:2)/PE(O-36:3)	ME1043627	0.84	1.84	0.72
PC(P-34:2)/PC(O-34:3)	ME1043617	0.68	1.83	0.81
PE(36:2)	ME1043622	0.66	1.96	0.80
PE(P-38:4)/PE(O-38:5)	ME1043629	0.68	2.06	0.74
threonine	ME1043581	0.50	1.54	1.15
Cer(d18:1/16:0)	ME1043634	0.63	1.04	1.28
S-methyl-L-cysteine-S-oxide	ME1043578	0.74	0.91	1.26
carnosine	ME1043486	0.49	1.21	1.32
LPC(24:0)	ME1043604	0.71	1.25	1.12
SM(d18:1/16:0)	ME1043630	0.63	1.20	1.21
cyclohexylamine	ME1043491	0.89	0.99	1.10
N-lauroylglycine	ME1043552	1.07	1.01	0.94
phenylalanine-d8	ME1043413	1.00	0.98	1.01
valine-d8	ME1043414	0.97	1.02	1.01
homocitrulline	ME1043510	1.13	0.93	0.93
PE(36:4)	ME1043621	1.17	0.93	0.90
betaine	ME1043453	1.27	0.87	0.84
biliverdin	ME1043455	1.22	0.85	0.89
agmatine	ME1043439	1.03	1.20	0.88
C3-DC-CH3 carnitine	ME1043463	1.12	1.17	0.81
LPC(P-18:0)/LPC(O-18:1)_b	ME1043607	1.11	1.08	0.82
myristoleic acid	ME1043530	1.15	1.04	0.85
PC(36:2)	ME1043616	0.81	1.45	0.93
C34:1 DAG or TAG Na adduct	ME1043636	0.81	1.41	0.95
PE(34:0)	ME1043620	0.81	1.37	0.97
PC(32:2)	ME1043614	0.92	1.34	0.90
N6-methyllysine	ME1043535	0.84	1.27	1.00
PC(34:3)	ME1043615	0.85	1.33	0.96
C5-DC carnitine	ME1043467	0.91	1.65	0.75
PE(P-34:1)/PE(O-34:2)	ME1043625	0.91	1.49	0.83
C10:2 carnitine	ME1043472	0.78	1.86	0.01
LPC(P-16:0)/LPC(O-16:1)	ME1043605	1.07	2.30	0.29
C2 carnitine	ME1043461	1.12	2.17	0.32
LPE(20:0)	ME1043612	1.19	2.12	0.28
histidinol	ME1043508	1.13	1.86	0.46
C20:4 carnitine	ME1043485	1.02	2.03	0.37
LPE(18:2)	ME1043609	1.05	1.98	0.47
creatine	ME1043489	1.28	1.76	0.39
asparagine	ME1043448	1.23	1.97	0.33
LPC(16:0)	ME1043596	1.28	2.00	0.26
LPC(20:1)	ME1043603	1.13	1.70	0.54
N-alpha-acetylarginine	ME1043548	1.16	1.68	0.52
glutamine	ME1043500	1.10	1.59	0.63
C34:2 DAG or TAG Na adduct	ME1043638	1.09	1.49	0.68
creatinine	ME1043490	1.15	1.50	0.62
LPC(P-18:0)/LPC(O-18:1)_a	ME1043606	1.23	1.37	0.44
phytosphingosine	ME1043632	1.42	1.44	0.43
carnitine	ME1043460	1.35	1.38	0.52
N1-methyl-2-pyridone-5-carboxamide	ME1043532	1.38	1.40	0.49
acisoga	ME1043436	1.25	1.29	0.65
7-methylguanine	ME1043433	1.39	1.24	0.56
LPE(16:0)	ME1043608	1.43	1.19	0.55
C8 carnitine	ME1043470	1.46	1.36	0.02
C10 carnitine	ME1043471	1.56	1.22	0.02
allantoin	ME1043442	1.65	1.23	0.02
C12:1 carnitine	ME1043474	1.62	1.25	0.03
C12 carnitine	ME1043473	1.44	1.85	0.04
biopterin	ME1043456	1.45	1.98	0.14
LPC(18:3)	ME1043597	1.47	1.88	0.17
glycocholate	ME1043502	1.58	1.62	0.21
LPC(18:2)	ME1043598	1.52	1.68	0.23
5-hydroxytryptophan	ME1043430	1.45	1.63	0.31
LPC(18:1)	ME1043599	1.40	1.74	0.29
C14:2 carnitine	ME1043477	1.77	1.53	0.01
C14:1 carnitine	ME1043476	1.71	1.55	0.05
C6 carnitine	ME1043468	1.65	1.53	0.04
LPC(20:5)	ME1043601	1.69	1.73	0.07
C14 carnitine	ME1043475	1.64	1.62	0.08
pro-gly	ME1043565	1.64	1.63	0.15
C16 carnitine	ME1043478	1.56	1.48	0.30
C18:1-OH carnitine	ME1043482	1.73	1.40	0.19

Factors:

F1	Sample source:Fecal Samples \| Type:Altered Schaedler Flora (ASF)
F2	Sample source:Fecal Samples \| Type:germ-free (GF)
F3	Sample source:Fecal Samples \| Type:specified-pathogen free (SPF)

Data matrix