Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002836)

Reversed phase NEGATIVE ION MODE (Analysis AN004635)

Metabolite	Structure	F1	F2
glycocholate sulfate	ME737340	1.36	0.64
N-acetylsphingosine	ME737383	1.35	0.65
9,10-DiHOME sulfate	ME737286	1.29	0.71
DIMBOA	ME737318	1.29	0.71
3-hydroxypalmitate	ME737260	1.26	0.74
glycodeoxycholate	ME737341	1.26	0.74
3-hydroxymargarate	ME737257	1.28	0.72
6-beta-hydroxylithocholate	ME737280	1.27	0.73
ursocholate	ME737447	1.27	0.73
chenodeoxycholic acid sulfate (3)	ME737303	1.59	0.41
I-urobilinogen	ME737355	1.60	0.40
3beta-hydroxy-5-cholestenoate	ME737267	1.53	0.47
cholate sulfate	ME737305	1.49	0.51
dodecanedioate (C12-DC)	ME737324	1.48	0.52
hydroxy-undecanedioate (OH-C11:0-DC)*	ME737353	1.91	0.09
p-cresol glucuronide*	ME737404	1.69	0.31
2-hydroxysebacate	ME737236	1.73	0.27
undecanedioate (C11-DC)	ME737443	1.74	0.26
azelate (C9-DC)	ME737292	1.76	0.24
sebacate (C10-DC)	ME737419	1.78	0.22
octadecadienedioate (C18:2-DC)*	ME737400	0.92	1.08
N-linoleoyltaurine*	ME737391	0.92	1.08
arachidate (20:0)	ME737290	0.92	1.08
1-arachidonoyl-GPI (20:4)*	ME737175	0.92	1.08
2-hydroxybehenate	ME737232	0.92	1.08
tetradecadienoate (14:2)*	ME737434	0.91	1.09
stearidonate (18:4n3)	ME737421	0.91	1.09
pentadecanoate (15:0)	ME737410	0.91	1.09
N-acetylthreonine	ME737385	0.91	1.09
arachidonate (20:4n6)	ME737291	0.91	1.09
1-carboxyethyltyrosine	ME737180	0.91	1.09
3-hydroxyoctanoate	ME737259	0.91	1.09
thymidine	ME737437	0.90	1.10
taurolithocholate	ME737432	0.90	1.10
isoleucylglycine	ME737360	0.90	1.10
indolelactate	ME737358	0.90	1.10
biopterin	ME737295	0.90	1.10
dihomo-linolenate (20:3n3 or n6)	ME737315	0.90	1.10
caproate (6:0)	ME737299	0.89	1.11
4-thiouracil	ME737275	0.89	1.11
(3^-5^)-uridylylguanosine	ME737170	0.89	1.11
1-pentadecanoylglycerol (15:0)	ME737208	0.89	1.11
2-hydroxystearate	ME737237	0.89	1.11
N-acetyltyrosine	ME737386	0.87	1.13
enterolactone	ME737330	0.87	1.13
docosapentaenoate (n6 DPA; 22:5n6)	ME737322	0.87	1.13
3-(4-hydroxyphenyl)propionate	ME737251	0.87	1.13
1-arachidonoyl-GPE (20:4n6)*	ME737174	0.87	1.13
3-(3-hydroxyphenyl)propionate	ME737249	0.87	1.13
dehydrolithocholate	ME737311	0.88	1.12
4-methylthio-2-oxobutanoate	ME737274	0.88	1.12
2^-deoxyguanosine	ME737223	0.88	1.12
1-palmitoyl-GPI (16:0)	ME737205	0.88	1.12
2-arachidonoylglycerol (20:4)	ME737227	0.88	1.12
nisinate (24:6n3)	ME737398	0.99	1.01
3-indoleglyoxylic acid	ME737262	0.99	1.01
3-hydroxystearate	ME737261	0.99	1.01
2-hydroxymyristate	ME737233	0.99	1.01
12-ketolithocholate	ME737219	0.99	1.01
1-oleoyl-GPG (18:1)*	ME737197	0.99	1.01
tyrosylglycine	ME737442	0.98	1.02
pyridoxate	ME737418	0.98	1.02
eicosanedioate (C20-DC)	ME737326	0.98	1.02
2^-O-methyluridine	ME737226	0.98	1.02
2-hydroxypalmitate	ME737235	0.98	1.02
13-HODE + 9-HODE	ME737220	0.98	1.02
1-arachidonoyl-GPC (20:4n6)*	ME737173	0.98	1.02
tyrosol	ME737441	0.97	1.03
octadecenedioate (C18:1-DC)*	ME737402	0.97	1.03
N-acetyl-beta-glucosaminylamine	ME737377	0.97	1.03
5-methyluridine (ribothymidine)	ME737278	0.97	1.03
1-palmitoylglycerol (16:0)	ME737207	0.97	1.03
1-linoleoylglycerol (18:2)	ME737192	0.97	1.03
1-palmitoleoylglycerol (16:1)*	ME737201	0.97	1.03
uridine	ME737446	0.93	1.07
lactobacillic acid	ME737365	0.93	1.07
isohyodeoxycholate	ME737359	0.93	1.07
(12 or 13)-methylmyristate (a15:0 or i15:0)	ME737157	0.93	1.07
2-hydroxyarachidate*	ME737231	0.93	1.07
valerate (5:0)	ME737448	0.94	1.06
p-hydroxybenzaldehyde	ME737406	0.94	1.06
hexadecanedioate (C16-DC)	ME737347	0.94	1.06
erucate (22:1n9)	ME737331	0.94	1.06
digalactosylglycerol*	ME737313	0.94	1.06
1-dihomo-linolenylglycerol (20:3)	ME737182	0.94	1.06
chenodeoxycholic acid sulfate (1)	ME737302	0.94	1.06
eicosapentaenoate (EPA; 20:5n3)	ME737327	0.96	1.04
undecanoate (11:0)	ME737444	0.95	1.05
pantethine	ME737409	0.95	1.05
heptanoate (7:0)	ME737345	0.95	1.05
3-hydroxybehenate*	ME737255	0.95	1.05
(3^-5^)-guanylylcytidine	ME737167	0.95	1.05
1-oleoylglycerol (18:1)	ME737200	0.95	1.05
2-hydroxy-3-methylvalerate	ME737230	0.95	1.05
phenylpyruvate	ME737415	1.03	0.97
isovalerate (i5:0)	ME737361	1.03	0.97
heneicosapentaenoate (21:5n3)	ME737343	1.03	0.97
3-hydroxymargaroylglycine	ME737258	1.03	0.97
4-hydroxyphenylpyruvate	ME737272	1.03	0.97
daidzein	ME737310	1.01	0.99
2-palmitoleoylglycerol (16:1)*	ME737243	1.01	0.99
10-hydroxystearate	ME737214	1.01	0.99
2-hydroxynervonate*	ME737234	1.01	0.99
STVLT	ME737422	1.02	0.98
kynurenate	ME737363	1.02	0.98
cholate	ME737304	1.02	0.98
3b-hydroxy-5-cholenoic acid	ME737266	1.02	0.98
18-methylnonadecanoate (i20:0)	ME737222	1.02	0.98
2-linoleoylglycerol (18:2)	ME737238	1.02	0.98
1-linolenoylglycerol (18:3)	ME737186	1.09	0.91
2-palmitoylglycerol (16:0)	ME737246	1.09	0.91
4-hydroxybenzoate	ME737268	1.08	0.92
2-myristoylglycerol (14:0)	ME737240	1.08	0.92
3-dehydrodeoxycholate	ME737253	1.08	0.92
octadecanedioate (C18-DC)	ME737401	1.05	0.95
N-acetylmuramate	ME737381	1.05	0.95
dodecenedioate (C12:1-DC)*	ME737325	1.05	0.95
4-hydroxymandelate	ME737270	1.05	0.95
2-oleoylglycerol (18:1)	ME737241	1.05	0.95
1-linoleoyl-GPI (18:2)*	ME737191	1.05	0.95
1-myristoylglycerol (14:0)	ME737196	1.05	0.95
beta-muricholate	ME737294	1.06	0.94
1-docosahexaenoylglycerol (22:6)	ME737184	1.06	0.94
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	ME737283	1.06	0.94
phenyllactate (PLA)	ME737414	1.07	0.93
phenylacetate	ME737412	1.07	0.93
indoleacetate	ME737357	1.07	0.93
dihydrocaffeate	ME737316	1.07	0.93
7-ketodeoxycholate	ME737284	1.07	0.93
alpha-muricholate	ME737289	1.07	0.93
lithocholate	ME737370	1.12	0.88
glyco-beta-muricholate**	ME737339	1.12	0.88
12-dehydrocholate	ME737217	1.12	0.88
1-heptadecenoylglycerol (17:1)*	ME737185	1.12	0.88
2-dihomo-linoleoylglycerol (20:2)*	ME737228	1.13	0.87
7,12-diketolithocholate	ME737282	1.13	0.87
cis-4-decenoate (10:1n6)*	ME737307	1.11	0.89
genistein	ME737337	1.10	0.90
deoxycholate	ME737312	1.15	0.85
p-cresol sulfate	ME737405	1.15	0.85
4-methyl-2-oxopentanoate	ME737273	1.17	0.83
3-methyl-2-oxovalerate	ME737264	1.17	0.83
2-heptadecenoylglycerol (17:1)*	ME737229	1.17	0.83
2-oxindole-3-acetate	ME737242	1.17	0.83
4-hydroxyphenylacetate	ME737271	1.18	0.82
chenodeoxycholate	ME737301	1.19	0.81
nonadecanoate (19:0)	ME737399	0.83	1.17
5-dodecenoate (12:1n7)	ME737277	0.83	1.17
1-dihomo-linoleoylglycerol (20:2)	ME737183	0.83	1.17
3-deoxyoctulosonate	ME737254	0.83	1.17
stearate (18:0)	ME737420	0.84	1.16
N6-acetyllysine	ME737397	0.84	1.16
docosatrienoate (22:3n6)*	ME737323	0.84	1.16
docosapentaenoate (n3 DPA; 22:5n3)	ME737321	0.84	1.16
5,6-dihydrouridine	ME737276	0.84	1.16
2-palmitoyl-galactosylglycerol (16:0)*	ME737244	0.84	1.16
1-oleoyl-GPI (18:1)	ME737198	0.84	1.16
1-margaroylglycerol (17:0)	ME737193	0.84	1.16
1-meadoylglycerol (20:3n9)*	ME737194	0.84	1.16
hyocholate	ME737354	0.86	1.14
hexadecadienoate (16:2n6)	ME737346	0.86	1.14
1-oleoyl-GPS (18:1)	ME737199	0.86	1.14
caprylate (8:0)	ME737300	0.86	1.14
docosahexaenoate (DHA; 22:6n3)	ME737320	0.85	1.15
N-palmitoylglycine	ME737393	0.85	1.15
thymine	ME737439	0.82	1.18
N2-acetyllysine	ME737396	0.82	1.18
eicosenoate (20:1)	ME737328	0.82	1.18
cysteine s-sulfate	ME737309	0.82	1.18
9,10-DiHOME	ME737285	0.82	1.18
1-stearoyl-GPI (18:0)	ME737211	0.82	1.18
1-palmitoyl-GPS (16:0)*	ME737206	0.82	1.18
(16 or 17)-methylstearate (a19:0 or i19:0)	ME737159	0.82	1.18
1-linoleoyl-GPG (18:2)*	ME737190	0.82	1.18
N-formylmethionine	ME737389	0.81	1.19
mead acid (20:3n9)	ME737374	0.81	1.19
glycerol	ME737338	0.81	1.19
erythrose	ME737332	0.81	1.19
dihomo-linoleate (20:2n6)	ME737314	0.81	1.19
caprate (10:0)	ME737298	0.81	1.19
adrenate (22:4n6)	ME737288	0.81	1.19
(3^-5^)-uridylylcytidine*	ME737169	0.81	1.19
3-(4-hydroxyphenyl)lactate	ME737250	0.81	1.19
2^-deoxyuridine	ME737225	0.81	1.19
1-linoleoyl-GPA (18:2)*	ME737187	0.81	1.19
2^-deoxyinosine	ME737224	0.81	1.19
valerylglycine	ME737449	0.80	1.20
taurohyocholate*	ME737430	0.80	1.20
N-formylphenylalanine	ME737390	0.80	1.20
benzoate	ME737293	0.80	1.20
hexadecatrienoate (16:3n3)	ME737348	0.80	1.20
myristate (14:0)	ME737375	0.78	1.22
linolenate [alpha or gamma; (18:3n3 or 6)]	ME737368	0.78	1.22
butyrate (4:0)	ME737297	0.78	1.22
10-heptadecenoate (17:1n7)	ME737213	0.78	1.22
1-linoleoyl-GPC (18:2)	ME737188	0.78	1.22
tetradecanedioate (C14-DC)	ME737435	0.79	1.21
palmitoleate (16:1n7)	ME737408	0.79	1.21
N2,N6-diacetyllysine	ME737395	0.79	1.21
docosadienoate (22:2n6)	ME737319	0.79	1.21
3-hydroxyhexanoate	ME737256	0.79	1.21
(3^-5^)-adenylyladenosine*	ME737160	0.79	1.21
1-arachidonylglycerol (20:4)	ME737176	0.79	1.21
1-carboxyethylisoleucine	ME737177	0.79	1.21
threonylphenylalanine	ME737436	0.71	1.29
3-phenylpropionate (hydrocinnamate)	ME737265	0.71	1.29
(3^-5^)-uridylyluridine	ME737171	0.71	1.29
1-palmitoyl-GPG (16:0)*	ME737204	0.71	1.29
(3^-5^)-cytidylyluridine*	ME737166	0.71	1.29
branched chain 14:0 dicarboxylic acid**	ME737296	0.72	1.28
(3^-5^)-adenylylguanosine*	ME737162	0.72	1.28
(3^-5^)-adenylyluridine	ME737163	0.72	1.28
urate	ME737445	0.70	1.30
hexadecenedioate (C16:1-DC)*	ME737349	0.70	1.30
indole-3-carboxylate	ME737356	0.70	1.30
xanthosine	ME737450	0.68	1.32
(3^-5^)-adenylylcytidine	ME737161	0.69	1.31
1-carboxyethylphenylalanine	ME737179	0.69	1.31
1-stearoyl-GPS (18:0)*	ME737212	0.69	1.31
6-oxolithocholate	ME737281	0.73	1.27
margarate (17:0)	ME737373	0.74	1.26
taurodeoxycholate	ME737429	0.77	1.23
(3^-5^)-cytidylylguanosine	ME737165	0.77	1.23
heptadecatrienoate (17:3)*	ME737344	0.77	1.23
tauroursodeoxycholate	ME737433	0.75	1.25
N-delta-acetylornithine	ME737388	0.75	1.25
N-acetylphenylalanine	ME737382	0.75	1.25
maltotriose	ME737372	0.75	1.25
2-stearoyl-GPE (18:0)*	ME737247	0.75	1.25
10-nonadecenoate (19:1n9)	ME737215	0.75	1.25
(14 or 15)-methylpalmitate (a17:0 or i17:0)	ME737158	0.75	1.25
tartarate	ME737424	0.76	1.24
sulfate*	ME737423	0.76	1.24
palmitate (16:0)	ME737407	0.76	1.24
oleate/vaccenate (18:1)	ME737403	0.76	1.24
myristoleate (14:1n5)	ME737376	0.76	1.24
linoleate (18:2n6)	ME737367	0.76	1.24
laurate (12:0)	ME737366	0.76	1.24
histidine	ME737352	0.76	1.24
enterodiol	ME737329	0.76	1.24
1-linoleoyl-GPE (18:2)*	ME737189	0.76	1.24
1-palmitoyl-galactosylglycerol (16:0)*	ME737202	0.76	1.24
1-stearoyl-GPG (18:0)	ME737210	0.67	1.33
12-HETE	ME737218	0.67	1.33
1-carboxyethylleucine	ME737178	0.67	1.33
N-acetylvaline	ME737387	0.66	1.34
N-acetylmethionine	ME737380	0.66	1.34
12,13-DiHOME	ME737216	0.66	1.34
16-hydroxypalmitate	ME737221	0.66	1.34
tartronate (hydroxymalonate)	ME737425	0.65	1.35
pseudouridine	ME737417	0.65	1.35
prostaglandin F2alpha	ME737416	0.65	1.35
guanosine-2^,3^-cyclic monophosphate	ME737342	0.65	1.35
N-acetylisoleucine	ME737378	0.65	1.35
N-stearoyltaurine	ME737394	0.61	1.39
2-methylcitrate/homocitrate	ME737239	0.64	1.36
(3^-5^)-guanylyluridine	ME737168	0.63	1.37
1-methyl-beta-carboline-3-carboxylic acid	ME737195	0.63	1.37
2-palmitoyl-GPC (16:0)*	ME737245	0.63	1.37
1,5-anhydroglucitol (1,5-AG)	ME737172	0.59	1.41
phenol sulfate	ME737411	0.58	1.42
N-acetyltaurine	ME737384	0.58	1.42
flavin adenine dinucleotide (FAD)	ME737334	0.58	1.42
(3^-5^)-cytidylylcytidine*	ME737164	0.58	1.42
dihydroferulate	ME737317	0.58	1.42
ferulate	ME737333	0.55	1.45
N-acetylleucine	ME737379	0.57	1.43
tauro-beta-muricholate	ME737426	0.56	1.44
N-oleoyltaurine	ME737392	0.56	1.44
5-oxoproline	ME737279	0.56	1.44
isovalerylglycine	ME737362	0.56	1.44
1-carboxyethylvaline	ME737181	0.50	1.50
3-dehydrocholate	ME737252	0.50	1.50
3,4-methylene heptanoylglycine	ME737248	0.52	1.48
taurochenodeoxycholate	ME737427	0.52	1.48
cinnamoylglycine	ME737306	0.53	1.47
taurohyodeoxycholic acid	ME737431	0.53	1.47
tricarballylate	ME737440	0.03	1.97
malate	ME737371	0.22	1.78
aconitate [cis or trans]	ME737287	0.36	1.64
citrate	ME737308	0.35	1.65
L-urobilin	ME737364	0.35	1.65
hexanoylglycine	ME737350	0.34	1.66
taurocholate	ME737428	0.34	1.66
1-stearoyl-GPA (18:0)	ME737209	0.30	1.70
1-palmitoyl-GPA (16:0)	ME737203	0.32	1.68
4-hydroxycinnamate	ME737269	0.32	1.68
flavin mononucleotide (FMN)	ME737335	0.40	1.60
hippurate	ME737351	0.38	1.62
3-indoxyl sulfate	ME737263	0.46	1.54
thymidine 5^-monophosphate	ME737438	0.45	1.55
phenylacetylglycine	ME737413	0.42	1.58
gamma-CEHC	ME737336	0.43	1.57
linoleoyl ethanolamide	ME737369	0.43	1.57

Factors:

F1	GROUP_ID:CON
F2	GROUP_ID:GOS

Data matrix