Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002978)

(Analysis AN004891)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
N-acetyl-1-methylhistidine*	ME774531	1.60	0.08	1.67	0.08	0.08	4.92
nicotinamide ribonucleotide (NMN)	ME774567	0.94	0.53	0.53	0.93	0.53	4.43
histamine	ME774506	0.27	0.01	0.28	0.01	0.01	9.09
N-acetylhistamine	ME774540	0.44	0.01	0.48	0.01	0.00	9.04
N-acetyl-cadaverine	ME774533	0.45	0.12	0.48	0.11	0.11	6.46
citrulline	ME774450	0.18	0.34	0.18	0.49	0.52	5.87
N-acetylarginine	ME774534	0.16	0.16	0.15	0.53	0.56	6.11
nicotinamide riboside	ME774568	0.22	0.19	0.19	1.46	0.19	7.01
N-acetylhistidine	ME774541	0.05	0.11	0.04	0.38	0.50	8.08
prolylproline	ME774588	0.05	0.09	0.14	0.72	1.04	7.16
(N(1) + N(8))-acetylspermidine	ME774385	0.20	0.14	0.20	5.79	1.75	0.53
NAD+	ME774564	0.47	0.06	0.42	4.63	0.85	3.32
alanylproline	ME774429	0.18	0.83	0.19	0.56	4.11	1.56
glycylproline	ME774501	0.08	0.13	0.09	1.10	5.62	1.79
cysteine-glutathione disulfide	ME774465	1.48	3.99	1.28	0.12	0.24	1.30
thioproline	ME774607	2.29	2.05	2.82	1.56	0.14	0.57
3-ureidopropionate	ME774407	3.16	0.13	3.18	0.08	0.05	0.11
homostachydrine*	ME774510	3.48	0.05	3.01	0.06	0.05	0.11
stachydrine	ME774604	3.32	0.08	3.01	0.12	0.11	0.11
hypotaurine	ME774512	2.84	0.10	3.08	0.05	0.05	0.43
taurine	ME774605	2.73	0.05	2.83	0.02	0.01	0.08
acetylcarnitine (C2)	ME774421	3.03	0.30	2.72	0.08	0.18	0.20
N-acetyl-3-methylhistidine*	ME774532	2.88	0.14	2.76	0.14	0.14	0.27
2-aminoheptanoate	ME774394	2.89	0.80	2.81	0.37	0.37	0.37
3-formylindole	ME774404	2.74	0.26	3.23	0.39	0.39	0.46
diacetylspermidine*	ME774473	3.58	0.22	3.67	1.13	0.24	0.29
2^-deoxycytidine	ME774401	4.02	0.12	4.52	0.04	0.04	0.04
1-methylhistidine	ME774391	4.57	0.10	3.83	0.05	0.05	0.27
urea	ME774616	4.31	0.12	3.56	0.02	0.02	0.02
3-methylhistidine	ME774405	3.88	0.01	3.48	0.19	0.19	0.45
cystine	ME774467	3.69	0.41	3.80	0.04	0.20	0.19
2-oxoarginine*	ME774397	1.53	0.36	1.65	3.73	0.06	1.49
glutamine	ME774491	1.67	0.19	2.21	3.08	1.53	0.85
cytosine	ME774470	0.64	0.08	0.66	4.34	3.48	0.01
guanine	ME774504	0.58	0.39	0.63	1.76	2.98	2.10
pyrraline	ME774593	0.28	0.27	0.40	3.62	1.52	0.76
N(1)-acetylspermine	ME774554	0.73	0.11	0.74	2.23	2.85	1.02
anthranilate	ME774433	0.08	0.07	0.08	1.96	2.52	0.06
fructosyllysine	ME774478	0.10	0.18	0.13	2.17	2.46	0.51
maltol	ME774527	0.19	0.17	0.36	2.89	3.11	0.50
carboxyethyl-GABA	ME774444	0.24	0.26	0.21	2.80	2.41	0.47
ectoine	ME774476	0.03	0.16	0.03	2.82	2.80	0.35
2^-deoxyadenosine	ME774400	1.68	0.41	1.68	0.04	2.30	0.49
S-methylcysteine sulfoxide	ME774598	0.90	0.23	0.89	0.31	3.96	0.23
gamma-glutamylleucine	ME774487	0.51	0.22	0.46	0.52	2.92	0.68
methionine sulfoxide	ME774530	0.25	0.10	0.25	0.78	2.22	0.74
hydroxyproline	ME774511	2.63	0.21	2.34	0.72	0.45	0.61
N-methylproline	ME774549	2.83	0.10	2.21	0.50	0.49	0.35
anserine	ME774432	2.18	0.19	2.05	0.76	0.37	0.87
phosphocholine	ME774580	2.03	0.08	2.15	0.30	0.32	0.60
gamma-glutamylglycine	ME774484	2.24	0.24	2.10	0.47	0.42	0.45
hypoxanthine	ME774513	2.21	0.23	2.24	0.35	0.61	0.57
creatinine	ME774453	2.42	0.07	2.44	0.05	0.04	0.92
phosphoethanolamine (PE)	ME774581	2.47	0.04	2.63	0.17	0.05	0.68
gamma-glutamyl-epsilon-lysine	ME774480	2.17	0.55	1.76	0.20	0.20	1.00
1-methyl-4-imidazoleacetate	ME774386	2.23	0.15	2.20	0.17	0.24	0.95
creatine	ME774452	2.06	0.11	1.88	0.04	0.06	1.18
deoxycarnitine	ME774471	1.90	0.07	1.85	0.26	0.24	1.07
N-acetylcarnosine	ME774536	2.12	0.69	1.88	0.69	0.69	0.69
N-monomethylarginine	ME774550	1.98	0.59	1.93	0.76	0.67	0.82
choline	ME774449	1.86	0.22	1.91	0.62	0.59	0.82
prolylhydroxyproline	ME774587	1.69	0.28	1.89	0.66	0.50	1.12
tyrosine	ME774615	1.65	0.54	1.55	0.65	0.80	1.15
cyclo(his-phe)	ME774456	1.67	0.27	1.65	0.79	0.79	0.81
dimethylarginine (ADMA + SDMA)	ME774474	1.75	0.42	1.64	0.82	0.75	0.94
5-(galactosylhydroxy)-lysine	ME774413	2.39	0.26	1.40	1.10	0.71	0.26
glycerol 3-phosphate	ME774494	2.08	0.10	2.07	1.23	0.45	0.35
trimethylamine N-oxide	ME774610	2.16	0.13	1.89	0.95	0.85	0.43
alanyllysine	ME774428	2.17	0.15	1.03	0.21	0.02	0.02
alanylhistidine	ME774426	2.06	0.12	1.83	0.28	0.12	0.12
leu-val-val	ME774519	1.83	0.09	1.66	0.35	0.15	0.12
glycylleucine	ME774500	1.51	0.27	1.41	0.27	1.07	0.06
lysylleucine	ME774526	1.18	0.49	1.09	0.33	0.97	0.02
3-aminoisobutyrate	ME774403	1.16	0.51	1.47	0.30	0.30	0.30
cytidine	ME774468	1.11	0.13	0.98	0.03	0.14	0.03
carboxymethylarginine	ME774445	0.20	0.03	0.26	0.34	0.59	2.23
1-methylguanidine	ME774390	0.73	0.03	0.72	0.07	0.07	2.03
carnitine	ME774447	0.96	0.08	0.94	0.33	0.33	1.88
cysteine	ME774463	1.20	0.37	2.12	0.09	0.09	1.42
lanthionine	ME774518	1.26	0.38	1.43	1.05	0.76	1.50
prolylglycine	ME774586	1.12	0.11	1.71	0.92	0.62	1.19
cytidine 2^ or 3^-monophosphate (2^ or 3^-CMP)	ME774469	1.45	0.44	1.41	0.08	0.61	1.73
guanidinoacetate	ME774503	1.53	0.32	1.37	0.21	0.17	1.51
cadaverine	ME774443	1.23	0.21	1.28	0.48	0.39	0.96
spermidine	ME774603	1.18	0.44	1.12	0.38	0.64	1.42
cyclo(gly-phe)	ME774454	1.53	0.31	1.30	0.65	0.51	1.45
cyclo(leu-pro)	ME774457	1.56	0.22	1.48	0.65	0.63	1.43
gamma-glutamylmethionine	ME774488	1.66	0.20	1.52	1.19	0.18	2.27
biotin	ME774442	1.17	0.56	1.15	0.93	0.30	1.72
methionine	ME774528	1.39	0.58	1.77	1.17	0.01	1.68
2-hydroxyglutarate	ME774395	0.79	2.17	0.77	0.45	0.53	2.10
riboflavin (vitamin B2)	ME774594	0.30	1.32	0.30	0.31	0.30	2.95
cysteinylglycine	ME774466	0.24	1.10	0.39	0.18	0.18	2.44
ophthalmate	ME774572	0.29	1.25	0.26	0.07	0.07	1.93
homocysteine	ME774509	0.49	0.49	0.49	2.70	0.49	2.77
N-acetylasparagine	ME774535	0.22	0.64	0.20	1.81	1.39	2.52
argininate*	ME774434	0.31	0.31	0.31	2.06	1.00	2.41
N-acetylglycine	ME774539	0.45	0.64	0.45	1.95	0.78	2.23
beta-alanine	ME774439	0.54	0.27	1.25	0.68	0.50	2.94
pyroglutamylalanine*	ME774592	0.66	0.07	0.65	0.81	0.93	2.38
gamma-glutamylglutamate	ME774482	0.47	0.33	0.45	1.23	1.02	2.63
S-1-pyrroline-5-carboxylate	ME774595	0.50	0.45	0.45	1.44	0.89	2.80
3-amino-2-piperidone	ME774402	0.26	0.17	0.26	1.05	1.00	2.73
tyramine	ME774614	0.02	0.02	0.02	1.03	1.07	2.50
N-acetylglutamine	ME774538	0.57	1.08	0.50	0.99	0.79	2.91
carnosine	ME774448	0.71	0.71	0.71	0.71	1.16	3.12
sedoheptulose-7-phosphate	ME774601	0.31	0.31	0.56	0.97	1.08	3.21
imidazole lactate	ME774514	0.15	0.38	0.13	1.12	1.80	3.77
CMP	ME774451	0.60	0.06	0.78	0.67	2.25	3.42
5^- GMP	ME774419	0.65	0.38	0.78	0.02	1.76	3.34
AMP	ME774431	0.87	0.41	0.80	0.05	1.68	2.76
thiamin (vitamin B1)	ME774606	0.15	1.84	0.06	1.33	2.01	0.19
alanylleucine	ME774427	1.54	0.09	0.15	0.00	0.01	0.02
valylglutamine	ME774618	1.86	0.22	0.15	0.02	0.07	0.03
aspartylaspartate	ME774438	1.12	0.27	0.38	0.08	1.47	0.77
phenylalanylglycine	ME774578	1.36	0.09	0.06	0.11	1.24	0.05
tryptophylglycine	ME774613	1.64	0.29	0.26	0.26	1.36	0.26
histidylalanine	ME774508	0.56	0.14	0.45	0.07	1.08	0.03
lysylalanine	ME774525	0.87	0.30	0.69	0.15	1.00	0.02
glycylisoleucine	ME774499	0.68	0.59	0.70	0.32	1.62	0.09
glycylvaline	ME774502	0.60	0.26	0.64	0.35	1.78	0.45
harmane	ME774505	0.09	0.06	0.08	0.68	0.39	0.92
1-ribosyl-imidazoleacetate*	ME774392	0.20	0.21	0.20	0.20	0.26	1.14
alpha-glutamylglutamate	ME774430	0.19	0.25	0.01	0.01	0.65	1.47
5-methylcytidine	ME774416	0.31	0.31	0.31	0.62	0.31	0.31
N1-methylinosine	ME774555	0.30	0.30	0.30	0.38	0.30	0.30
kynurenine	ME774517	0.54	0.23	0.62	0.47	0.21	0.48
beta-guanidinopropanoate	ME774440	0.65	0.29	0.76	0.50	0.57	0.52
N4-acetylcytidine	ME774558	0.52	0.52	0.52	0.52	0.52	0.52
leucylglutamine*	ME774522	0.60	0.03	0.26	0.07	0.06	0.03
nicotinamide	ME774566	0.01	0.29	0.01	0.14	0.07	0.02
phenylalanylalanine	ME774577	0.21	0.18	0.18	0.18	0.23	0.18
5-methylthioadenosine (MTA)	ME774417	0.12	0.14	0.12	0.13	0.12	0.17
N6-methyladenosine	ME774560	0.09	0.09	0.09	0.09	0.09	0.21
adenosine	ME774423	0.01	0.01	0.00	0.00	0.00	0.24
leucylglycine	ME774523	0.02	0.02	0.02	0.06	0.13	0.06
valylleucine	ME774619	0.20	0.04	0.02	0.04	0.03	0.04
N-acetylneuraminate	ME774543	0.38	0.03	0.07	2.24	0.63	0.09
cystathionine	ME774462	0.40	0.04	0.40	2.04	0.88	1.07
S-carboxyethylcysteine	ME774596	0.76	0.36	0.77	2.87	0.50	1.17
S-carboxymethyl-cysteine	ME774597	0.73	0.44	0.78	2.96	0.63	1.29
gamma-glutamylisoleucine*	ME774486	0.56	0.33	0.66	2.83	1.10	1.10
o-tyrosine	ME774571	0.41	0.30	0.41	2.58	0.96	1.36
cysteine sulfinic acid	ME774464	0.52	1.09	0.96	1.44	0.18	1.61
1-methyl-5-imidazoleacetate	ME774387	0.35	0.83	0.66	2.09	0.99	1.32
oxindolylalanine	ME774574	0.61	1.20	1.09	2.10	0.86	1.31
nicotinate	ME774569	0.71	0.99	0.72	1.72	2.06	1.03
tryptamine	ME774611	0.53	1.25	0.54	1.73	1.87	0.74
adenine	ME774422	0.66	0.88	0.66	2.05	1.87	1.48
N-acetylcysteine	ME774537	0.52	1.22	0.32	2.45	1.60	1.35
1-methyladenine	ME774389	0.29	0.82	0.33	2.73	2.12	1.00
4-hydroxyglutamate	ME774410	0.26	0.25	0.48	2.68	1.80	1.27
N-carbamoylalanine	ME774547	0.31	0.47	0.37	2.30	1.61	1.12
N6-carboxymethyllysine	ME774559	0.05	0.05	0.06	1.51	1.57	1.06
glycerophosphorylcholine (GPC)	ME774496	0.30	0.48	0.27	1.50	2.07	0.94
carboxymethylproline	ME774446	0.29	0.17	0.23	1.90	1.59	0.89
trigonelline (N^-methylnicotinate)	ME774609	0.29	0.39	0.28	2.01	1.96	0.91
2-methylserine	ME774396	0.05	0.59	0.05	1.71	1.77	1.57
picolinate	ME774582	0.39	0.49	0.45	1.83	1.34	1.19
pyridoxine (vitamin B6)	ME774591	0.38	0.79	0.34	1.63	1.64	1.23
5-(2-hydroxyethyl)-4-methylthiazole	ME774412	0.48	0.40	0.44	1.69	1.56	0.38
agmatine	ME774424	0.75	0.15	0.74	1.91	1.73	0.45
nicotianamine	ME774565	0.83	0.15	0.89	1.79	1.52	0.78
gamma-glutamylhistidine	ME774485	1.43	0.76	1.19	1.74	1.00	0.80
serine	ME774602	0.94	0.50	1.07	1.45	1.36	0.11
alanine	ME774425	0.87	0.53	0.97	1.38	1.36	0.53
putrescine	ME774589	0.88	0.46	0.90	1.49	1.34	0.44
glycine	ME774498	1.26	0.44	1.30	1.49	1.08	0.10
histidine betaine (hercynine)*	ME774507	1.46	0.10	1.35	1.15	1.36	0.33
N-glycolylneuraminate	ME774548	0.34	0.29	0.31	1.30	0.98	0.29
prolylalanine	ME774585	0.03	0.06	0.14	1.21	0.95	1.07
formiminoglutamate	ME774477	0.39	0.18	0.35	1.01	1.44	0.87
4-guanidinobutanoate	ME774409	0.24	0.17	0.23	0.68	1.02	1.04
methionine sulfone	ME774529	0.55	0.06	0.44	0.47	1.20	0.70
sarcosine	ME774600	0.89	0.44	0.87	0.44	1.62	1.56
p-aminobenzoate (PABA)	ME774575	0.45	1.14	0.55	1.03	1.20	1.23
saccharopine	ME774599	0.58	1.34	0.50	1.19	1.26	1.05
diacetylchitobiose	ME774472	0.61	1.17	0.66	1.52	1.10	0.84
imidazole propionate	ME774515	0.90	1.14	0.94	1.72	1.18	0.58
gamma-glutamyl-alpha-lysine	ME774479	0.79	0.35	1.13	0.68	0.62	0.94
N-acetylmethionine sulfoxide	ME774542	0.77	0.43	0.76	0.40	0.76	1.21
7-methylguanine	ME774420	0.95	0.57	0.96	1.79	1.51	1.45
N-acetylserine	ME774546	0.81	0.43	0.74	1.68	0.99	1.40
proline	ME774584	0.80	0.47	0.76	1.62	1.13	1.53
5-hydroxylysine	ME774415	1.20	0.23	1.28	1.27	1.16	0.88
leucylalanine	ME774521	0.92	0.92	0.92	0.92	0.92	0.92
nicotinate ribonucleoside	ME774570	0.85	0.85	0.85	1.02	0.94	0.85
aspartate	ME774437	0.95	0.44	0.97	1.08	1.18	1.03
threonine	ME774608	0.90	0.42	1.00	1.20	1.15	0.86
5-aminovalerate	ME774414	0.95	0.61	0.88	1.01	0.94	0.99
arginine	ME774435	1.10	0.56	1.11	1.07	1.01	0.93
isoleucine	ME774516	1.09	0.87	1.13	1.09	1.13	1.15
N6-methyllysine	ME774561	0.91	0.83	0.82	1.06	0.99	1.38
leucine	ME774520	1.00	0.57	1.02	0.99	1.01	1.31
phenylalanine	ME774576	1.02	0.60	1.04	0.89	0.90	1.20
dimethylglycine	ME774475	0.71	0.45	0.71	1.49	1.28	1.17
asparagine	ME774436	0.75	0.55	0.79	1.19	1.15	0.98
glycerophosphoserine*	ME774497	0.80	0.52	0.78	1.27	1.17	1.16
tryptophan	ME774612	0.95	0.47	0.96	1.00	0.99	1.57
glutamate	ME774490	0.76	0.50	0.76	1.18	1.19	1.46
valine	ME774617	0.85	0.48	0.94	1.15	1.20	1.46
pyridoxamine	ME774590	0.22	1.24	0.29	0.99	1.10	1.97
3-phosphoserine	ME774406	0.20	0.18	0.22	1.61	1.24	1.82
phosphate	ME774579	0.32	0.20	0.33	1.46	1.47	1.47
cyclo(gly-pro)	ME774455	0.56	0.11	0.56	1.23	1.14	1.69
cyclo(pro-arg)*	ME774460	0.49	0.11	0.52	1.24	1.26	1.48
cyclo(phe-pro)	ME774458	0.73	0.11	0.67	1.09	0.96	1.68
lysine	ME774524	0.57	0.40	0.60	0.93	0.99	1.74
gamma-glutamylalanine	ME774481	0.09	0.60	0.09	1.10	1.23	1.68
2-pyrrolidinone	ME774399	0.28	0.42	0.29	1.26	1.02	1.58
N-acetylproline	ME774544	0.36	0.52	0.35	1.38	1.01	1.69
2-piperidinone	ME774398	0.30	0.32	0.54	0.98	1.06	1.19
gamma-glutamylglutamine	ME774483	0.47	0.33	0.35	1.22	1.12	1.28
4-imidazoleacetate	ME774411	0.45	0.32	0.44	1.10	1.42	1.41
gamma-glutamylthreonine	ME774489	0.48	0.49	0.47	1.14	1.35	1.50
pipecolate	ME774583	0.46	0.64	0.42	1.27	1.21	1.47
betaine	ME774441	0.44	0.63	0.41	1.41	1.39	1.22
glutamine_degradant*	ME774492	0.41	0.64	0.38	1.34	1.36	1.28
1-methyl-5-imidazolelactate	ME774388	0.43	0.57	0.34	1.04	1.68	1.96
N-acetylputrescine	ME774545	0.39	0.61	0.35	1.09	1.03	2.02
ornithine	ME774573	0.40	0.54	0.40	1.20	0.96	2.13
cyclo(pro-tyr)	ME774461	0.21	0.08	0.22	1.17	1.10	2.18
4-acetamidobutanoate	ME774408	0.25	0.34	0.28	1.27	1.29	2.05
glycerophosphoethanolamine	ME774495	0.05	0.51	0.05	1.36	1.26	2.01

Factors:

F1	Sample type:G. vaginalis biofilm #1
F2	Sample type:G. vaginalis biofilm #2
F3	Sample type:G. vaginalis suspension
F4	Sample type:L. crispatus biofilm
F5	Sample type:L. crispatus suspension
F6	Sample type:L. iners suspension

Data matrix