Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002010)

(Analysis AN003276)

Metabolite	Structure	F1	F2	F3
6,9,12,15,18,21-Tetracosahexaynoic acid	ME464030	1.04	1.12	0.83
2-oxohexa-4,5-cyclopropyl-5-enoate	ME463836	0.69	1.10	1.05
Adenine	ME463961	0.50	1.14	1.53
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	ME463980	0.92	0.98	1.06
6,11-dihydroxy-3-(hydroxymethyl)-7-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.0,]trideca-1,3,5(13),6,9,11-hexaen-2-ylium	ME463826	0.92	0.81	1.28
12-epi-hapalindole F (isothiocyanate)	ME464045	1.56	0.74	0.48
2-Methylacetophenone	ME463942	0.78	0.67	1.63
2-O-Methylcytosine	ME463900	0.45	1.17	1.70
5^-Methylthioadenosine	ME463745	0.64	1.09	1.09
Aminoadipic acid	ME463913	1.74	0.48	0.58
Ala/Cys/His/Asn/Gln	ME464001	0.81	1.01	1.21
Asp/Arg/Arg/Thr/Tyr	ME464047	1.70	0.31	0.28
2-Amino-5-(methylthio)pentanoic acid	ME464029	0.97	0.97	1.06
2-Hydroxy-4-(methylthio)butanoic acid	ME463771	1.54	0.81	0.83
4beta-Hydroxyobovatachromene	ME464072	0.69	0.40	1.91
benzenamine sulfate	ME463995	0.95	1.07	0.95
2,5,6-Trihydroxy-5,6-dihydroquinoline	ME463912	0.64	1.71	0.82
3-(Cystein-S-yl)acetaminophen	ME463879	1.00	1.42	0.50
3b,12a-Dihydroxy-5a-cholanoic acid	ME463799	2.06	0.18	0.38
Adenosine triphosphate	ME463956	1.45	0.97	0.80
3-Aminobenzenesulfonate	ME463906	0.84	1.17	0.91
Betaine	ME463718	0.76	1.21	1.19
3^^-Chloro-3^^-deoxytriphasiol	ME463727	1.35	0.34	1.25
4-({2-[(3-{2-[2-(acetyloxy)propan-2-yl]-7-oxo-2H,3H,7H-furo[3,2-g]chromen-6-yl}-1-hydroxy-3-methylbutan-2-yl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-aminobutanoic acid	ME464003	NA	0.15	1.85
4-Hydroxyglutamate semialdehyde	ME463989	1.15	0.74	1.11
5-Pyridoxolactone	ME464115	0.86	1.01	1.18
ascr#24	ME463928	1.16	0.89	0.92
Aspartic acid	ME463790	2.28	0.31	0.19
benzodiazepinedione	ME463884	0.32	0.20	3.38
3-nitro-2-pentanol	ME464086	1.01	0.80	1.19
1,2-dioctanoyl-1,2,6-hexanetriol	ME463734	1.05	1.03	0.91
2-C-Methyl-D-erythritol 4-phosphate	ME463738	1.76	0.54	0.57
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone	ME463976	1.04	0.95	1.00
4-Hydroxymethylphenylhydrazine	ME464116	1.13	0.94	0.91
ATPA	ME464090	0.65	1.33	1.08
5-Dehydro-4-deoxy-D-glucarate	ME463754	1.11	0.75	1.06
2-Hydroxyundecanoate	ME463702	0.73	1.28	1.17
4-Nitroaniline	ME464021	1.10	0.85	0.98
5-Methylcytosine	ME463896	1.30	0.61	0.70
2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid	ME463852	0.95	0.98	1.04
Ala/Phe/Lys/Arg/Arg	ME463921	1.10	0.97	0.96
1-Methylhistidine	ME463774	0.86	1.15	1.07
2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate	ME464051	0.96	0.86	1.17
3,3^-Thiobispropanoic acid	ME464027	0.83	0.91	1.29
Arg/Thr/Pro/Pro	ME464074	NA	0.37	1.21
4-methylmorpholine N-oxide	ME463760	0.61	1.18	1.47
Acetylcarnosine	ME464013	1.84	0.48	0.30
Adrenochrome o-semiquinone	ME463731	1.18	0.65	1.14
(2R,4S)-2,4-Diaminopentanoate	ME464011	1.29	0.80	0.86
3-hydroxypyridine	ME464060	0.81	1.14	1.18
1,8-Diazacyclotetradecane-2,9-dione	ME463742	1.00	1.02	0.99
Arabitol	ME464033	1.14	0.95	0.89
2-Heptenal	ME464070	1.41	NA	0.18
2-Hydroxycaproic acid	ME463855	0.63	1.20	1.30
8-Oxocoformycin	ME464031	0.91	1.05	1.06
2-Aceto-2-hydroxybutanoic acid	ME463703	0.70	1.17	1.34
10-hydroxy-undecanoic acid	ME463704	0.55	0.68	2.07
1-thio--D-glucose	ME464078	0.82	0.51	1.60
5,7-Dihydroxyflavone 7-benzoate	ME463958	0.62	0.59	1.91
alpha-Irone	ME463963	1.59	0.56	0.46
4^-methoxycyclopenine	ME464107	1.05	1.00	0.93
Arbutin	ME463881	1.11	0.93	0.95
5-Hydroxypentanoic acid	ME463765	0.94	1.00	1.10
Aspartyl-L-proline	ME464012	NA	0.53	1.31
a phenothiazine	ME463970	0.15	3.13	0.47
2-Methylbutyroylcarnitine	ME463743	0.49	1.37	1.23
3-Oxooctadecanoic acid	ME464010	1.15	0.88	0.94
2,3-Diaminosalicylic acid	ME464040	0.88	1.09	0.99
Acetylcarnitine	ME463723	0.53	1.07	1.48
5-guanidino-3-methyl-2-oxo-pentanoate	ME463877	0.34	0.74	2.80
1,2-dioctanoyl-1-amino-2,3-propanediol	ME463947	0.49	1.14	1.37
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate	ME464019	0.83	1.03	1.05
2-{4-[-1,2-diphenylbut-1-en-1-yl]phenoxy}acetic acid	ME464067	1.31	0.87	0.72
Alanyl-Serine	ME464085	1.46	0.78	0.67
9^-Carboxy-alpha-chromanol	ME463758	0.62	1.24	1.39
ADP-Mannose	ME464113	0.84	1.03	1.05
Arginine	ME463733	1.01	0.99	0.99
3-Dehydroquinate	ME463962	0.99	0.70	1.32
Ala/Glu/Glu/His/Arg	ME464097	0.40	1.13	1.47
Ala/Asn/Ser	ME464075	1.09	0.90	1.01
1-carboxymethylpyridinium	ME464098	1.44	0.20	0.09
3,5-dibromocatechol	ME463952	NA	2.36	0.32
2-Hydroxy-2,4-pentadienoate	ME463965	1.26	0.89	0.81
3,4-dichloro-tridecanoic acid	ME463951	0.41	0.25	3.18
Adenosine	ME463788	0.93	0.81	1.24
4-Imidazolone-5-propionic acid	ME463767	0.79	0.44	1.80
Allysine	ME463858	0.85	1.17	1.08
Alanine	ME463808	0.99	0.58	1.44
Ala/Leu/Arg/Arg	ME463846	1.37	0.72	0.66
Asparagine	ME464126	2.23	0.26	0.30
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate	ME463888	0.11	0.21	2.09
3-(methylsulfanyl)acryloate	ME464016	0.99	0.83	1.18
1-Isothiocyanato-7-(methylsulfinyl)heptane	ME463954	1.23	0.83	0.90
2-Dodecylbenzenesulfonic acid	ME463857	1.36	0.74	0.84
1-Pyrroline-5-carboxylic acid	ME463935	0.28	0.74	2.19
2-Hydroxyglutaric acid	ME463883	0.63	0.76	1.61
5-Acetamidovalerate	ME464034	0.77	1.36	1.02
1,6,8-trimethylallantoate	ME463910	1.33	0.78	0.84
Ala/Thr/Ser/Tyr	ME463931	NA	0.22	1.26
3-Indoleglycolaldehyde	ME463795	1.63	0.68	0.58
Allantoin	ME464015	1.65	0.65	0.59
Ala/Met/Pro/Tyr	ME463932	1.00	0.93	1.06
2-trans,6-trans-Farnesal	ME463873	0.69	1.34	1.17
aureothricin	ME464121	0.78	0.83	1.22
2-Aminoheptanoate	ME463753	0.52	1.37	1.43
Argenonic acid	ME463839	0.83	0.51	1.63
4-Oxoproline	ME463710	0.70	1.21	1.29
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione	ME463960	1.09	0.90	0.94
2-methylaminoacrylate	ME463882	1.37	0.78	0.78
3,4-Dimethyl-5-pentyl-2-furanundecanoic acid	ME463892	1.07	0.88	1.06
Ala/Ile/Ile/Val/Val	ME464114	1.37	0.73	0.65
5-Sulfoxymethylfurfural	ME463805	0.68	0.99	1.17
1-Nitrohexane	ME463750	0.71	1.22	1.27
4-Guanidinobutanoic acid	ME463823	0.80	0.83	1.41
Arachidonic acid	ME463943	1.65	0.22	0.27
Arg-OEt	ME463784	0.75	1.07	1.22
alpha-Ketoisovaleric acid	ME463729	0.41	1.52	1.45
aminocaproamide	ME463755	1.62	0.14	0.12
3-Ethylmalate	ME463915	1.09	0.92	0.98
4-Hydroxybutyric acid	ME463994	0.69	1.27	1.15
2-Diethylaminoethanol	ME463848	1.01	0.84	1.14
3,4-Dehydrothiomorpholine-3-carboxylate	ME463987	0.90	1.37	0.68

Factors:

F1	Chemoresistance Status:N/A
F2	Chemoresistance Status:Resistant
F3	Chemoresistance Status:Sensitive

Data matrix