Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomics of patient-derived fibroblasts (Study ST001441)

HILIC NEGATIVE ION MODE (Analysis AN002408)

Metabolite	Structure	F1	F2	F3	F4
2-keto-3-deoxy-D-glycero-D-galactononic acid 9-phosphate	ME327785	0.92	0.10	2.92	0.07
cholesterol sulfate	ME327832	1.06	0.11	2.72	0.12
lithocholate	ME327827	2.47	0.51	0.51	0.51
oxalatosuccinate	ME327762	2.83	0.29	0.32	0.56
C4H8O3(3)	ME327835	1.43	0.34	1.96	0.27
Hypoxanthine	ME327890	1.49	0.12	2.25	0.14
Dihydroxyacetone phosphate	ME327914	1.57	0.37	1.66	0.40
arachidonic acid	ME327866	1.63	0.34	1.65	0.38
C20H30O2(4)	ME327865	1.63	0.36	1.62	0.38
beta-D-Fructose 1,6-bisphosphate	ME327913	1.51	0.43	1.48	0.57
cytidine	ME327906	1.50	0.44	1.49	0.57
lactate	ME327918	1.51	0.53	1.47	0.48
beta-hydroxy-beta-methylbutyrate	ME327748	1.57	0.51	1.54	0.38
CDP	ME327898	1.59	0.47	1.51	0.43
Thymidine	ME327908	1.84	0.45	1.35	0.36
4-pyridoxate	ME327772	1.87	0.36	1.47	0.31
C20H30O4(18)	ME327870	1.96	0.41	1.34	0.29
D-glycerate	ME327834	1.97	0.34	1.41	0.28
C20H32O3(12)	ME327869	1.73	0.55	1.35	0.37
8,11,14-Eicosatrienoic acid (DGLA)	ME327814	1.72	0.46	1.46	0.36
C20H32O4(21)	ME327871	1.68	0.48	1.45	0.39
6-Phosphogluconic acid	ME327764	1.79	0.60	1.21	0.40
Deoxyuridine	ME327910	1.79	0.59	1.22	0.39
C20H30O3(6)	ME327868	1.66	0.61	1.22	0.51
(4-hydroxy-3-methoxyphenyl)acetaldehyde	ME327775	1.66	0.50	1.33	0.50
6(S)-hydroxy-tetradeca-2E4E8Z-trienoate/6(R)-hydroxy-tetradeca-2E4E8Z-trienoate	ME327801	1.75	0.50	1.25	0.50
7,9-dihydro-1H-purine-2688(3H)-trione	ME327751	1.89	0.19	1.75	0.16
carnosine	ME327779	1.86	0.20	1.74	0.20
L-arabinitol/xylitol/D-ribitol	ME327840	1.85	0.27	1.61	0.26
L-threonate	ME327743	1.92	0.28	1.54	0.26
succinate(2-)	ME327922	1.74	0.36	1.62	0.28
C20H34O4(4)	ME327872	1.83	0.34	1.67	0.16
kynurenate	ME327790	1.72	0.31	1.75	0.22
3alpha-7alpha-12alpha-Trihydroxy-5beta-cholestanoate/3alpha-7alpha-12alpha-25-tetrahydroxy-5beta-cholestane-24-one	ME327880	2.18	0.03	1.77	0.02
glycolithocholate	ME327828	2.10	0.15	1.68	0.08
5-Methoxyindoleacetate	ME327793	2.12	0.11	1.66	0.11
quinolinate	ME327767	2.14	0.10	1.66	0.11
Galactosylglycerol	ME327781	2.21	0.07	1.61	0.12
Taurodeoxycholic acid/taurochenodeoxycholate	ME327878	2.19	0.08	1.66	0.07
5-Hydroxyisourate	ME327753	2.08	0.00	1.91	0.00
glycochenodeoxycholate	ME327829	2.07	0.11	1.72	0.09
allantoate	ME327744	2.06	0.09	1.76	0.09
taurolithocholate	ME327830	2.09	0.07	1.77	0.07
L-fucose/L-Fuculose	ME327846	2.00	0.06	1.84	0.10
L-Iditol/D-glucitol/galactitol	ME327851	2.00	0.05	1.85	0.09
clupanodonic acid/docosa-4,7,10,13,16-pentaenoic acid	ME327874	1.97	0.12	1.77	0.14
docosahexaenoate(DHA)	ME327873	1.97	0.09	1.80	0.14
Xanthine	ME327749	1.95	0.11	1.82	0.12
15(S)-Hydroxyeicosatrienoic acid	ME327816	2.09	0.32	1.44	0.15
13-carboxy-alpha-tocopherol	ME327833	2.26	0.28	1.37	0.09
3(S)6(R)-dihydroxy-tetradec-8Z-enoate/3(S)6(S)-dihydroxy-tetradec-8Z-enoate	ME327803	2.29	0.26	1.26	0.20
Diphosphate	ME327883	2.59	0.14	1.21	0.06
estrone 3-sulfate	ME327813	2.40	0.05	1.49	0.06
dTTP	ME327929	2.44	0.01	1.54	0.01
sulfoglycolithocholate	ME327831	2.43	0.02	1.53	0.02
Deoxyinosine	ME327909	0.56	1.26	1.09	1.09
Sedoheptulose 7-phosphate	ME327771	0.57	1.18	0.67	1.58
dUDP	ME327903	0.50	1.40	0.59	1.51
C6H12O6(5)	ME327850	0.56	1.33	0.68	1.43
myo-inositol	ME327887	0.56	1.33	0.68	1.43
aspartate	ME327889	0.88	2.18	0.27	0.67
dUMP	ME327928	0.52	2.03	0.56	0.89
fructoselysine 3-phosphate	ME327818	0.47	1.77	0.50	1.26
NADPH	ME327825	0.81	1.44	1.59	0.16
2-deoxy-D-ribose 5-phosphate/2-Deoxy-D-ribose 1-phosphate	ME327842	0.76	0.81	1.28	1.15
2-aminomuconate	ME327759	1.10	0.47	1.61	0.82
N-acetyl-L-aspartate/2-Amino-3-oxoadipate	ME327848	0.98	0.57	1.73	0.72
inosine	ME327904	1.02	0.83	1.52	0.63
D-Glycerate 3-phosphate/D-Glycerate 2-phosphate	ME327915	1.12	0.72	1.44	0.72
N-acetyl-L-glutamate	ME327769	1.01	0.71	1.53	0.76
Phosphoenolpyruvate	ME327916	0.88	0.81	1.41	0.90
UMP	ME327900	0.98	0.78	1.39	0.84
2-oxoglutarate	ME327921	0.97	0.63	1.33	1.06
2-Hydroxyglutarate	ME327926	1.05	0.71	1.28	0.95
D-Glucuronate 1-phosphate	ME327885	1.01	0.70	1.34	0.94
Methylisocitric acid/2-methylcitrate	ME327854	1.48	1.07	1.13	0.33
GDP	ME327892	1.33	0.65	1.60	0.42
ribose-phosphate	ME327843	1.25	0.72	1.47	0.56
docosanedioicacid	ME327826	1.40	0.58	1.06	0.96
Hexadecanedioic acid	ME327809	1.42	0.62	1.16	0.80
N-phosphocreatinate	ME327746	1.41	0.72	1.27	0.59
oleic acid/elaidate/trans-vaccenate	ME327861	1.45	0.69	1.26	0.60
GTP	ME327893	1.46	0.82	1.19	0.53
Azelaic acid	ME327777	1.42	0.80	1.24	0.55
UTP	ME327902	1.42	0.77	1.24	0.57
gulonate	ME327853	1.43	0.66	1.38	0.53
CTP	ME327899	1.54	0.67	1.35	0.44
linoleic acid/linoelaidic acid (all trans C18:2)/octadecadienoate (n-C18:2)	ME327860	1.59	0.60	1.34	0.46
N-acetyl-seryl-aspartate	ME327783	1.29	0.90	1.20	0.61
w-hydroxydecanoicacid	ME327789	1.31	0.81	1.22	0.66
gama-L-glutamyl-L-alpha-aminobutyrate	ME327780	1.40	0.82	1.11	0.67
Dodecanedioic acid	ME327797	1.32	0.97	1.08	0.63
4-hydroxybenzoate/Gentisate aldehyde	ME327765	1.28	0.89	1.11	0.72
CMP	ME327897	1.32	0.87	1.10	0.72
ATP	ME327896	1.35	0.91	1.09	0.65
palmitoleate	ME327805	1.34	0.87	1.15	0.64
adipic acid	ME327757	1.30	0.89	1.14	0.67
ADP	ME327895	1.32	0.91	1.13	0.64
D-Erythrose 4-phosphate	ME327745	1.31	0.56	1.36	0.77
D-Glucosamine 6-phosphate	ME327763	1.20	0.74	1.32	0.74
(R)-2-hydroxy-4-methylpentanoate	ME327754	1.22	0.80	1.24	0.74
L-cystathionine	ME327770	1.33	0.76	1.31	0.60
L-xylonate/L-lyxonate	ME327841	1.28	0.73	1.33	0.66
trans-4,5-epoxy-2(E)-decenal	ME327787	1.28	0.71	1.37	0.64
4,6-Dihydroxyquinoline/quinoline-4,8-diol	ME327858	1.32	0.73	1.27	0.68
S-[2-carboxy-1-(1 H-imidazol-4-yl)ethyl]-L-cysteine	ME327782	1.29	0.69	1.26	0.76
2-oxoadipate	ME327760	0.85	0.89	0.83	1.44
phenylacetate/(4-hydroxyphenyl)acetaldehyde	ME327855	1.21	0.73	0.81	1.25
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate	ME327836	0.84	1.20	0.78	1.18
guanosine	ME327905	0.72	1.30	0.74	1.24
UDP-N-acetyl-alpha-D-glucosamine/UDP-N-acetyl-alpha-D-galactosamine	ME327877	0.79	1.31	0.70	1.20
Hypotaurine	ME327738	0.70	1.59	0.63	1.07
tetradecenoate (n-C14:1)	ME327799	0.83	1.45	0.75	0.97
UDP-alpha-D-xylose	ME327820	0.81	1.41	0.72	1.06
(R)-S-lactoylglutathionate	ME327819	0.97	1.28	0.72	1.04
L-2-aminoadipate	ME327845	0.97	1.30	0.78	0.95
L-cysteate	ME327884	1.04	1.27	0.72	0.97
GMP	ME327891	1.01	1.19	0.89	0.91
(S)-dihydroorotate	ME327750	1.12	1.12	0.78	0.97
9(10)-EpOME/12(13)-EpOME	ME327862	1.12	1.24	0.81	0.83
omega hydroxy tetradecanoate (n-C14:0)	ME327802	1.15	1.20	0.78	0.87
nonanoate	ME327774	0.87	1.48	0.96	0.69
O-Phospho-L-serine	ME327741	1.07	1.38	0.83	0.72
omega hydroxy hexadecanoate (n-C16:0)	ME327807	1.26	0.85	0.89	1.00
Perillic acid	ME327786	1.27	0.95	0.88	0.90
UDP	ME327901	1.18	0.92	1.16	0.73
uracil	ME327888	1.17	0.90	1.16	0.77
itaconate/Mesaconate	ME327837	1.24	0.83	1.15	0.78
phytanic acid/arachidic acid	ME327867	1.19	0.85	1.16	0.80
3-Keto-beta-D-galactose/L-Gulonolactone	ME327849	1.19	0.86	1.09	0.86
Taurine	ME327739	1.15	0.90	1.10	0.86
palmitate	ME327806	1.17	0.91	1.07	0.85
pentadecanoate	ME327804	1.18	0.91	1.09	0.82
4-hydroperoxy-2-nonenal	ME327776	1.25	0.94	1.08	0.74
margarate	ME327810	1.22	0.89	1.09	0.80
stearate	ME327811	1.23	0.93	1.04	0.80
9,10-hydroxyoctadec-12(Z)-enoate/12,13-hydroxyoctadec-9(Z)-enoate	ME327863	1.29	0.80	1.00	0.91
4-nitrophenolate	ME327755	1.20	0.81	1.04	0.95
G6P/F6P	ME327912	1.22	0.84	1.03	0.91
pristanic acid	ME327864	1.23	0.83	1.01	0.93
laurate	ME327795	1.12	0.92	1.00	0.96
(R)-Pantothenate	ME327778	1.07	0.96	0.97	1.01
3-dehydro-L-gulonate/D-glucuronate/L-iduronate	ME327852	1.10	0.94	1.06	0.91
myristate	ME327800	1.13	0.96	1.03	0.88
4-hydroxy-2-nonenal/3,4-epoxynonanal	ME327857	1.21	0.91	0.97	0.91
4(R)-hydroxy-dodec-6Z-enoate/4(S)-hydroxy-dodec-6Z-enoate	ME327859	1.18	0.95	0.99	0.88
fructosyllysine	ME327798	1.19	0.94	1.01	0.86
pyruvate	ME327917	1.01	0.88	0.87	1.24
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid	ME327784	1.00	0.94	0.93	1.14
2-acetamido-5-oxopentanoate	ME327768	0.95	0.92	1.02	1.11
3-methyl-2-oxopentanoate/4-methyl-2-oxopentanoate(ketoleucine)	ME327844	0.98	0.99	0.99	1.04
3-methyl-2-oxobutanoate	ME327747	0.94	1.07	0.91	1.08
arginine	ME327761	1.00	1.10	0.82	1.09
lysine	ME327758	1.01	1.10	0.83	1.06
alpha-D-glucose	ME327911	0.97	1.08	0.86	1.10
C5H10O5(6)	ME327839	1.00	1.06	0.87	1.08
2-methylglutaconic acid	ME327756	0.98	1.06	0.87	1.08
L-erythrulose	ME327742	0.99	1.07	0.87	1.08
L-isoleucine/L-leucine	ME327881	1.05	1.05	0.88	1.02
Valine	ME327927	1.03	1.06	0.88	1.03
Eicosenoic acid	ME327815	1.10	1.00	0.88	1.02
L-tryptophan	ME327792	1.11	1.00	0.91	0.99
UDP-D-glucuronate	ME327822	1.01	1.11	1.06	0.83
fructoseglycine	ME327773	1.16	1.04	0.93	0.87
AMP	ME327894	1.05	1.09	0.96	0.90
Glycerol 3-phosphate	ME327740	1.10	1.09	0.97	0.84
3-hydroxyanthranilate	ME327766	0.86	1.02	1.12	1.00
uridine	ME327907	0.86	0.99	1.16	1.00
ADP-mannose/GDP-L-fucose/ADP alpha-D-glucoside	ME327876	0.92	1.09	1.04	0.94
GDP-D-mannose	ME327823	0.89	1.12	1.02	0.96
ADP-ribose	ME327821	1.00	0.90	1.26	0.85
L-4-hydroxyglutamate semialdehyde	ME327838	1.01	0.94	1.17	0.89
L-glutamate	ME327886	1.01	0.93	1.17	0.89
acetoacetate	ME327925	0.96	0.98	1.08	0.97
UDP-D-glucose/UDP-D-galactose	ME327875	0.98	1.01	1.05	0.96
caprate	ME327788	1.02	0.91	1.09	0.97
thiosulfate	ME327882	1.07	0.90	1.07	0.96
N-Formimidoyl-L-glutamate	ME327847	1.51	0.95	0.94	0.59
12,13-epoxy-9-hydroperoxy-10E-octadecenoate	ME327812	1.51	0.73	0.98	0.78
4-Hydroxyphenylacetate/2-Hydroxyphenylacetate/3,4-Dihydroxyphenylacetaldehyde	ME327856	1.51	0.92	0.83	0.74
N-Acetylneuraminate 9-phosphate	ME327817	1.52	0.85	0.83	0.80
omega hydroxy dodecanoate (n-C12:0)	ME327796	1.29	1.18	0.71	0.82
NADH	ME327824	1.22	1.12	0.88	0.78
malate	ME327924	1.27	1.09	0.93	0.71
cis-aconitate	ME327920	1.35	1.02	0.94	0.69
citrate/isocitrate	ME327919	1.34	1.06	0.92	0.68
N-Carbamoyl-L-aspartate	ME327752	2.09	1.05	0.85	0.02
11^-Carboxy-alpha-chromanol	ME327808	2.16	0.52	0.98	0.34
C27H46O4(3)	ME327879	1.78	0.87	0.87	0.47
Glycyl-phenylalanine	ME327794	1.90	0.78	0.86	0.45
fumarate	ME327923	1.36	1.40	0.72	0.52
N(omega)-(L-Arginino)succinate	ME327791	1.87	1.49	0.43	0.21

Factors:

F1	Sample Source:Control \| Treatment Duration:Day0
F2	Sample Source:Control \| Treatment Duration:Day5
F3	Sample Source:Patient \| Treatment Duration:Day0
F4	Sample Source:Patient \| Treatment Duration:Day5

Data matrix