Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003790)

HILIC NEGATIVE ION MODE (Analysis AN006230)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
2-Isopropylmalic acid	ME1000627	2.27	2.31	0.21	0.20	1.12	0.21
2-Hydroxydecanedioic acid	ME1000622	2.42	2.96	0.22	0.25	0.20	0.29
C21:3	ME1000749	1.26	1.11	0.90	0.99	0.57	1.34
Cysteine S-sulfate	ME1000798	1.03	1.10	1.57	0.87	0.67	0.92
C20:0(Arachidic acid)	ME1000740	0.65	0.68	1.30	1.54	1.07	1.08
C20:3	ME1000743	0.77	0.73	0.95	1.11	0.70	2.07
C21:4	ME1000750	2.69	2.41	0.31	0.26	0.17	0.33
1-Aminocyclopropane-1-carboxylic acid	ME1000607	1.44	1.48	0.45	0.73	1.21	1.00
2-aminohexadecanoic acid	ME1000616	0.06	0.08	0.41	1.40	0.36	2.30
2-Dehydro-D-xylonate isomer	ME1000617	2.00	1.90	0.45	0.61	0.75	0.62
C21:1	ME1000747	0.42	0.38	1.34	1.66	1.24	1.28
Benozic acid	ME1000718	0.93	1.10	1.30	1.25	0.74	0.97
C18:2	ME1000594	2.74	2.72	0.28	0.18	0.16	0.26
cyclic AMP	ME1000795	0.94	0.87	0.47	0.94	2.18	0.60
C17:2	ME1000733	2.51	2.23	0.40	0.30	0.25	0.48
2-hydroxymexiletine	ME1000624	1.51	1.73	0.51	0.63	0.80	1.06
cresol	ME1000793	1.91	2.00	0.55	0.58	0.33	0.93
(10S)-Juvenile hormone III acid diol isomer	ME1000596	1.54	1.97	0.61	0.68	0.58	0.72
Asparaginyl-Hydroxyproline isomer	ME1000711	1.62	2.26	0.47	0.48	0.32	0.85
C20:5	ME1000745	2.75	2.87	0.16	0.14	0.20	0.22
C16:0	ME1000728	1.22	1.06	0.83	1.11	0.81	1.28
C11:0(Undecanoic acid)	ME1000723	0.69	0.41	1.71	0.86	1.76	0.87
C26:1	ME1000772	0.48	0.60	1.53	1.72	1.14	0.86
2_4-diamino-6-nitrotoluene isomer	ME1000612	2.72	3.22	0.03	0.05	0.06	0.08
Cholesteryl sulfate	ME1000783	0.78	0.76	1.04	1.18	0.97	1.59
2_4-Dinitrophenylhydrazine isomer	ME1000613	1.48	0.62	1.57	0.86	1.04	0.76
C17:1	ME1000732	1.62	1.43	0.83	0.86	0.62	0.96
5-L-Hydroxytryptophan	ME1000678	2.53	2.67	0.24	0.27	0.23	0.39
4-hydroxybutyrate	ME1000663	0.70	0.99	0.97	1.01	0.76	1.90
asparagine	ME1000710	2.39	1.83	0.45	0.44	0.07	1.15
C26:4	ME1000775	1.05	0.98	1.44	1.00	0.41	1.44
Cincassiol B isomer	ME1000786	0.96	1.11	1.06	1.01	0.54	1.61
16alpha-Hydroxyprednisolone isomer	ME1000606	1.21	1.28	NA	0.02	NA	NA
Benzoic acid isomer	ME1000719	1.96	2.30	0.39	0.85	0.42	0.32
Azadirone isomer	ME1000717	1.72	2.53	0.17	0.24	1.07	0.14
athyriol isomer	ME1000716	1.24	1.44	0.44	0.78	0.61	1.42
C25:2	ME1000769	1.33	1.29	0.74	1.03	0.85	0.92
2-Deoxyglucose	ME1000619	0.48	0.64	1.05	1.35	1.13	1.68
2-Aminobutyric acid	ME1000615	1.89	1.38	0.36	0.69	1.10	0.92
C19:3	ME1000739	0.93	0.91	1.23	1.04	0.59	1.63
C19:2	ME1000738	1.72	1.78	0.67	0.66	0.41	1.09
C25:0	ME1000767	0.69	0.75	1.19	1.55	1.27	0.84
C26:6	ME1000777	1.88	2.32	0.30	0.41	0.30	0.80
2_2^-(3-methylcyclohexane-1_1-diyl)diacetic acid	ME1000610	1.40	1.33	0.96	0.93	0.80	0.74
Corosolic acid isomer	ME1000790	2.75	2.89	0.05	0.04	0.04	0.07
C15:0	ME1000726	0.41	0.22	0.60	1.53	1.89	1.68
C19:0	ME1000736	0.56	0.55	1.32	1.42	1.25	1.21
C14:2	ME1000725	0.80	0.57	1.50	1.10	0.63	1.73
cholic acid	ME1000784	0.78	0.57	1.31	1.42	0.73	1.52
Citronellyl propionate isomer	ME1000788	0.51	0.41	2.61	0.96	0.80	0.88
(17alpha-23S)-Epoxy-28-29-dihydroxy-27-norlanost-8-ene-3-24-dione	ME1000597	2.88	3.08	0.01	0.01	0.01	0.02
2_3-Dihydroxybenzoic acid	ME1000611	1.95	2.82	0.34	0.42	0.38	0.41
biotin	ME1000722	2.07	2.06	0.18	0.34	0.16	1.35
aspartyltaurine	ME1000715	1.18	1.07	1.24	0.45	0.76	1.31
C20:1	ME1000741	1.02	1.00	0.89	1.32	0.57	1.53
C24:3	ME1000763	0.81	0.76	0.90	1.43	0.92	1.34
C24:4	ME1000764	0.55	0.56	0.97	1.50	0.82	1.93
C24:6	ME1000766	1.37	1.58	0.51	0.75	0.43	1.35
2-Hydroxy-5-oxo-L-proline isomer	ME1000621	1.27	1.67	0.59	0.80	0.99	0.99
2-Oxoadipic acid	ME1000634	1.88	0.92	0.90	0.84	0.64	1.16
2-O-Ethyl ascorbic acid isomer	ME1000632	2.12	2.39	0.33	0.44	0.49	0.55
Ascorbate 2-sulfate isomer	ME1000708	0.55	0.58	0.95	2.25	0.98	0.70
3-(3-Methoxyphenyl)propionic acid	ME1000638	1.31	1.97	0.72	0.91	0.55	0.66
2-O-Methylascorbic acid	ME1000633	0.90	1.22	0.82	1.29	1.11	0.99
3_4-Dihydroxyphenylglycol O-sulfate	ME1000640	2.55	1.37	0.67	0.41	0.31	0.69
Arteether isomer	ME1000707	1.39	1.65	0.65	0.72	0.80	1.08
3_4-Dimethoxyphenylacetic acid	ME1000641	1.42	1.55	0.50	0.72	0.91	1.18
3 Hydroxycoumarin isomer	ME1000637	2.28	2.25	0.32	0.61	0.33	0.52
3-Isopropylmalic acid isomer	ME1000651	1.69	1.90	0.61	0.79	1.00	0.34
3-Phenylpropionate	ME1000656	2.30	3.04	0.17	0.32	0.10	0.40
5-L-Glutamyl-L-alanine isomer	ME1000677	1.83	1.86	0.36	0.56	0.74	0.82
Benzyl b-L-arabinopyranoside	ME1000720	1.81	2.38	0.45	0.64	0.54	0.37
Arabinonic acid isomer	ME1000703	0.84	0.58	0.33	2.48	2.02	0.06
3-Nitro-L- tyrosine	ME1000654	2.99	3.19	0.03	0.03	0.03	0.05
3-Ureidopropionic acid	ME1000657	2.87	0.97	1.15	0.36	0.70	0.28
1-Oxo-14_17_20_23-tetraoxa-2-thiapentacosan-25-oic acid isomer	ME1000609	0.72	0.82	0.97	1.27	1.03	1.39
C23:2	ME1000759	1.12	1.22	0.78	1.09	0.87	1.08
Cystathionine ketimine isomer	ME1000797	1.93	2.69	0.53	0.42	0.35	0.41
C16:1	ME1000729	1.32	1.13	0.98	0.98	0.70	1.22
cytidine	ME1000799	0.97	0.79	0.78	0.95	0.86	1.98
C24:5	ME1000765	1.10	1.02	0.69	1.07	0.57	1.55
C24:2	ME1000762	1.03	1.01	0.77	1.34	0.99	1.19
C18:0	ME1000734	0.65	0.63	1.18	1.37	1.19	1.28
C22:2	ME1000752	0.94	0.87	1.02	1.57	0.60	1.34
1-(4-Hydroxyphenyl)piperidin-2-one	ME1000602	2.03	2.10	0.40	0.46	0.51	0.74
C22:3	ME1000753	1.62	1.31	0.67	1.15	0.38	1.21
7-methylguanosine	ME1000683	0.55	0.53	0.92	1.35	0.59	2.06
Apigenin 7-sulfate	ME1000702	2.55	2.40	0.04	0.00	0.00	0.01
C24:1	ME1000761	0.74	0.83	1.08	1.55	1.06	1.08
4-Ethylphenol	ME1000660	3.15	2.71	0.10	0.11	0.05	0.05
5_6-Dihydrouridine	ME1000671	2.35	0.82	0.44	0.48	1.04	0.87
2-keto-isovalerate	ME1000629	1.57	1.88	0.53	0.65	0.79	0.77
2-Methylbutyroylcarnitine	ME1000630	2.46	2.60	0.26	0.22	0.20	0.55
C15:1	ME1000727	2.48	2.07	0.51	0.46	0.31	0.49
C25:1	ME1000768	0.49	0.58	1.38	1.76	1.21	0.91
1_6-anhydro-b-D-Glucose	ME1000604	1.16	1.42	0.61	0.87	0.98	1.30
4-Methylvaleric acid	ME1000669	0.87	0.75	0.67	1.01	0.93	2.06
2-Phenylethanol glucuronide	ME1000635	1.99	2.09	0.37	0.55	0.48	0.84
3-Hydroxyanthranilic acid	ME1000646	1.93	2.01	0.42	0.62	0.63	0.67
3-Methyl-L-histidine isomer	ME1000653	0.74	0.96	1.37	1.22	0.54	1.50
3-(Hexane-1-sulfinyl)-N-N-bis(2-hydroxyethyl)prop-2-enamide isomer	ME1000639	0.97	0.68	0.66	0.64	0.65	2.39
4-hydroxyphenylacetate	ME1000665	2.30	1.50	0.56	0.60	0.27	1.10
4-methylene-glutamine	ME1000667	1.56	2.60	0.31	0.44	0.39	1.01
3-Dehydrocholate	ME1000644	0.52	0.42	1.76	1.27	1.35	1.02
3-Hydroxypropionic Acid	ME1000649	1.80	1.70	1.22	0.47	0.68	0.46
7-Ethoxycoumarin isomer	ME1000682	2.89	3.23	0.04	0.07	0.03	0.08
Achalensolide	ME1000687	1.48	1.25	0.43	0.93	0.17	1.69
4-Methyleneglutamic acid isomer	ME1000666	2.90	3.25	0.04	0.04	0.04	0.07
Acetylglycine	ME1000685	1.29	1.63	0.84	0.91	0.99	0.65
C18:4	ME1000735	3.12	2.84	0.11	0.08	0.05	0.13
1-Aminoproline	ME1000608	1.53	1.04	0.44	0.60	1.74	0.99
C26:2	ME1000773	0.74	0.87	0.98	1.31	1.04	1.22
3-Methylglutaconic Acid	ME1000652	0.45	0.50	1.28	1.87	1.10	1.14
2-hydroxyglutarate	ME1000623	3.08	1.84	0.40	0.22	0.61	0.18
Chondroitin isomer	ME1000785	2.07	2.61	0.02	0.03	0.04	1.22
Asp Gly	ME1000709	2.18	2.04	0.35	0.51	0.65	0.59
C20:2	ME1000742	0.76	0.77	1.14	1.44	0.57	1.66
arginine	ME1000706	2.28	1.42	0.20	0.58	0.90	0.94
C25:3	ME1000770	3.01	2.75	0.02	0.03	0.01	0.03
Ala Ser	ME1000693	0.82	0.51	0.20	0.94	3.00	0.86
AMP	ME1000700	2.24	1.28	0.20	0.42	1.94	0.21
C22:6	ME1000756	1.89	1.88	0.45	0.54	0.38	1.20
3alpha-Hydroxyoreadone isomer	ME1000642	1.21	1.57	0.95	0.63	0.47	1.45
3-Indolebutyric acid	ME1000650	0.14	0.11	1.33	1.32	1.38	2.06
4-Pyridoxic acid	ME1000670	1.49	2.24	1.01	0.56	0.52	0.50
5-Methoxytryptophan	ME1000679	2.22	2.63	0.23	0.24	0.28	0.72
adenine	ME1000688	1.67	1.43	0.35	0.60	0.57	1.71
3-O-alpha-D-Glucopyranuronosyl-D-xylose	ME1000655	1.08	1.06	0.89	1.75	0.88	0.33
Adynerin isomer	ME1000691	2.79	2.28	0.55	0.10	0.04	0.09
C22:1	ME1000751	0.75	0.75	0.94	1.50	1.07	1.33
C26:0(Cerotic acid)	ME1000771	0.65	0.66	1.14	1.69	1.35	0.79
5-aminovaleric acid	ME1000673	1.68	1.28	0.61	0.79	1.16	0.81
5-hydroxyindole-3-acetic acid	ME1000675	3.29	2.81	0.05	0.05	0.04	0.09
4-Acetamidobutyric acid	ME1000658	2.83	0.85	0.94	0.63	0.70	0.38
6-Deoxohomodolichosterone	ME1000681	0.65	0.67	1.08	1.34	1.03	1.56
5^-Carboxy-alpha-chromanol	ME1000674	0.68	1.08	0.70	0.85	0.45	2.50
2-Pyridylacetic acid	ME1000636	2.06	2.58	0.27	0.31	0.40	0.70
3-hydroxybutyrate	ME1000647	0.68	0.99	0.97	1.01	0.72	1.95
2-Hydroxypyridine isomer	ME1000625	2.58	3.41	0.04	0.05	0.03	0.06
2-dehydrogluconate	ME1000618	2.53	0.94	1.06	0.65	0.69	0.47
Corey PG-Lactone Diol isomer	ME1000789	2.09	2.98	0.27	0.32	0.23	0.42
2-Amino-3_7-dideoxy-D-threo-hept-6-ulosonic acid	ME1000614	1.85	2.93	0.24	0.29	0.36	0.65
C22:5	ME1000755	1.69	1.49	0.56	0.71	0.52	1.20
C14:0(Myristic acid)	ME1000724	0.88	0.52	1.07	1.37	1.37	1.11
1_25-Dihydroxyvitamin D3-26_23-lactone	ME1000603	1.32	1.54	0.48	0.67	0.64	1.35
C22:4	ME1000754	1.18	1.18	0.76	1.04	0.61	1.39
11(R)-HETE isomer	ME1000605	0.45	0.49	1.74	1.22	1.21	1.21
Capryloyl glycine	ME1000778	0.97	0.69	0.69	0.93	2.38	0.65
2-Nonenoic acid isomer	ME1000631	2.21	1.68	0.83	0.61	0.44	0.52
C19:1	ME1000737	0.75	0.74	1.03	1.00	0.66	2.16
5_6-Dihydroxyprostaglandin F1a	ME1000672	2.33	2.59	0.29	0.34	0.29	0.48
Acetyl-N-(2-sulfoethyl)-L-alpha-glutamine	ME1000686	1.10	1.64	1.31	0.39	0.25	1.31
aminohydroxyphenylalanine isomer	ME1000698	1.31	1.39	0.66	1.08	0.59	1.28
3-Hydroxymelatonin	ME1000648	0.62	0.75	1.98	1.29	0.54	0.82
4-Ethylphenyl sulfate	ME1000661	1.72	2.34	0.52	0.57	0.47	0.69
Chenodeoxycholic acid	ME1000782	0.79	0.48	0.88	1.41	0.70	2.07
(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate	ME1000598	2.07	2.36	0.29	0.43	0.44	0.41
4-Methylene-L-glutamine isomer	ME1000668	2.55	3.14	0.11	0.16	0.15	0.21
4-Aminoisophthalic acid	ME1000659	2.26	2.21	0.23	0.35	0.87	0.39
Aminoadipic acid	ME1000697	2.12	2.10	0.47	0.51	0.64	0.49
C18:1	ME1000595	1.92	1.80	0.48	0.59	0.41	1.13
3-Dehydro-2-deoxyecdysone	ME1000643	1.56	1.52	0.71	0.79	0.51	1.25
4-Hydroxy-L-phenylglycine	ME1000664	2.05	2.44	0.34	0.53	0.37	0.59
2-keto-isocaproate	ME1000628	2.30	2.57	0.29	0.34	0.38	0.36
C23:0	ME1000757	0.55	0.64	1.26	1.65	1.32	0.91
BICINE	ME1000721	2.23	1.88	0.33	0.42	0.45	1.02
C26:3	ME1000774	1.00	0.87	0.63	1.07	0.86	1.58
C20:4	ME1000744	0.50	0.64	1.06	1.13	0.99	2.02
Cortisol 21-acetate isomer	ME1000792	0.30	0.35	1.00	1.30	1.33	1.53
Cyclic-ADP-ribose	ME1000796	1.47	1.12	0.21	0.77	1.97	0.63
Catechol	ME1000781	2.04	3.26	0.21	0.29	0.21	0.31
[6]-Gingerdiol 3-5-diacetate isomer	ME1000601	0.70	0.49	0.87	1.53	1.24	1.49
Adipic acid isomer	ME1000689	0.73	0.84	0.92	1.27	1.09	1.48
alpha-Ketoglutaramate	ME1000696	1.96	2.34	0.47	0.46	0.31	0.80
alanine	ME1000695	1.76	1.29	0.56	0.64	1.32	0.76
anthranilate	ME1000701	0.62	0.70	0.98	0.98	1.27	1.77
5-Keto-D-gluconic acid	ME1000676	0.48	0.64	0.76	1.28	1.71	1.35
Castanospermine isomer	ME1000780	2.90	3.33	0.01	0.02	0.03	0.04
C23:1	ME1000758	0.63	0.59	1.13	1.63	1.12	1.23
6-Aminopenicillanate	ME1000680	2.50	2.99	0.00	0.00	0.00	0.01
a-ketoglutarate	ME1000692	1.62	1.47	0.79	0.60	0.88	0.81
Adonitol	ME1000690	2.47	1.63	0.74	0.50	0.67	0.31
Ala Thr Gln	ME1000694	2.13	2.12	0.23	0.19	0.29	1.03
C17:0	ME1000731	0.75	0.60	0.90	1.52	1.53	1.02
C16:2	ME1000730	1.87	1.67	0.90	0.62	0.36	0.92
3-Furoic acid	ME1000645	1.53	1.21	1.04	0.98	0.75	0.75
7-Sulfocholic acid	ME1000684	0.48	0.59	0.55	1.31	1.60	1.63
C21:2	ME1000748	1.13	1.39	0.82	1.23	0.74	1.02
4-formyl Indole	ME1000662	2.31	0.84	1.11	0.63	0.64	0.79
Asparagoside A isomer	ME1000712	0.75	1.08	1.69	0.68	0.97	0.83
2-Ethylbutyraldehyde isomer	ME1000620	1.37	1.71	0.43	0.79	1.17	0.77
Aspartylhydroxyproline	ME1000714	1.67	1.96	0.44	0.50	0.91	0.69
C21:0	ME1000746	0.28	0.30	1.64	1.86	1.23	1.02
C26:5	ME1000776	1.54	1.27	0.73	0.81	0.44	1.21
Cinnamic acid	ME1000787	1.64	1.71	0.48	0.87	1.49	0.13
2-Hydroxyvaleric acid	ME1000626	1.01	0.66	0.33	0.52	3.45	0.36
Curlone isomer	ME1000794	1.50	1.20	0.57	0.85	0.64	2.04
Aminolevulinic acid	ME1000699	1.27	3.39	0.37	0.33	0.85	0.13
arachidoyl carnitine C20:0 isomer	ME1000704	0.81	1.00	0.10	2.03	1.07	1.05
Arg Thr Arg Asn isomer	ME1000705	2.97	1.12	0.28	0.42	0.44	0.93
C24:0(Lignoceric acid)	ME1000760	0.66	0.73	1.27	1.59	1.27	0.80
Corticosterone	ME1000791	1.05	1.34	0.79	1.04	0.91	1.39
aspartate	ME1000713	1.20	0.44	0.18	1.39	2.33	0.80
Carnosic acid isomer	ME1000779	2.71	2.73	0.01	0.04	0.01	0.01

Factors:

F1	Sample source:Feces \| Diet:Chow \| Treatment:anti-PD-1
F2	Sample source:Feces \| Diet:Chow \| Treatment:isotype control
F3	Sample source:Feces \| Diet:HC_In0 \| Treatment:anti-PD-1
F4	Sample source:Feces \| Diet:HC_In1.9 \| Treatment:anti-PD-1
F5	Sample source:Feces \| Diet:HC_In8 \| Treatment:anti-PD-1
F6	Sample source:Feces \| Diet:LC_In0 \| Treatment:anti-PD-1

Data matrix