Metabolomics Workbench : NIH Data Repository

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

HILIC POSITIVE ION MODE (Analysis AN002407)

Metabolite	Structure	F1	F2	F3	F4
5beta-cholestane-3alpha-7alpha-12alpha-25-tetrol/5beta-cholestane-3alpha-7alpha-12alpha-26-tetrol	ME327678	0.14	0.94	1.02	1.90
5-S-glutathionyl-dopamine	ME327636	0.19	1.50	0.18	2.13
3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine	ME327624	0.85	1.97	0.47	0.71
5-amino-1-(5-phospho-D-ribosyl)imidazole	ME327611	0.22	1.62	0.59	1.58
adenosine	ME327701	0.27	1.77	0.60	1.35
beta-carboline	ME327622	0.57	1.83	0.52	1.09
(-)-Salsolinol/NN-dimethyldopaminequinone-1	ME327665	0.53	1.63	0.57	1.27
sphingosine/3-dehydrosphinganine	ME327668	0.62	1.62	0.42	1.35
C27H44O3(5)	ME327676	0.83	1.44	0.63	1.10
sn-Glycero-3-phosphocholine	ME327610	0.51	1.39	0.79	1.31
3-hydroxy-isovaleryl carnitine	ME327714	1.36	1.40	0.89	0.35
tiglyl carnitine	ME327713	1.72	1.08	0.90	0.30
4-Imidazolone-5-propanoate	ME327599	1.30	1.42	0.60	0.68
L-cysteine	ME327682	1.17	1.28	0.66	0.90
S-Adenosyl-L-homocysteine	ME327691	1.11	1.33	0.78	0.78
2-keto-4-methylthiobutyrate	ME327593	1.13	1.12	0.80	0.95
NAD+	ME327639	1.06	1.13	0.90	0.91
L-asparagine	ME327684	1.06	1.19	0.91	0.85
Ureidopropionic acid/Glycyl-glycine	ME327646	1.06	1.19	0.90	0.85
NADP+	ME327640	1.04	1.27	0.85	0.85
5-methoxytryptophol	ME327623	0.99	1.23	0.82	0.96
Methionine sulfoxide	ME327737	1.06	1.19	0.84	0.92
thiamine	ME327628	1.06	0.91	0.92	1.11
Nicotinamide	ME327596	1.02	1.06	0.86	1.07
Pyridoxine/Norepinephrine-1	ME327657	1.01	1.06	0.86	1.07
1-methylpyrrolinium	ME327733	1.01	1.11	0.83	1.05
L-alanine	ME327699	0.99	1.10	0.85	1.06
L-tyrosine	ME327698	1.06	1.01	0.91	1.02
L-phenylalanine	ME327689	1.06	1.02	0.90	1.01
benzoate	ME327602	1.06	1.02	0.91	1.00
phenylacetaldehyde	ME327680	1.06	1.02	0.91	1.01
C9H8O3(3)	ME327660	1.06	1.02	0.91	1.01
coumarin	ME327612	1.06	1.02	0.91	1.01
L-methionine	ME327687	1.07	1.03	0.89	1.01
methyl indole-3-acetate	ME327667	1.08	1.03	0.90	1.00
12S-HHT	ME327630	1.06	1.05	0.92	0.97
L-threonine	ME327695	1.09	1.05	0.91	0.95
sarcosine	ME327735	1.08	1.06	0.84	1.02
choline	ME327686	1.10	1.02	0.84	1.05
Riboflavin	ME327693	1.07	1.01	0.84	1.07
glycine	ME327734	0.96	1.07	0.95	1.02
2-phenylethanamine	ME327607	0.98	1.02	1.01	0.99
13-carboxy-gama-tocopherol	ME327644	1.00	1.01	0.98	1.01
adenine	ME327703	0.97	1.02	0.99	1.02
S-(2-Methylpropanoyl)-dihydrolipoamide	ME327629	1.05	1.07	0.98	0.89
3-oxo-10(R)-hydroxy-octadeca-6E8E12Z-trienoate/3-oxo-10(S)-hydroxy-octadeca-6E8E12Z-trienoate	ME327669	0.98	1.10	0.98	0.94
acetamidopropanal	ME327648	0.98	1.09	1.02	0.91
L-proline	ME327700	0.98	1.09	1.02	0.91
anthranilate	ME327605	0.84	1.26	0.82	1.08
dopaminochrome	ME327608	0.87	1.25	0.85	1.04
Pyridoxal	ME327609	0.87	1.23	0.84	1.06
1-methylnicotinamide	ME327604	0.93	1.27	0.81	0.99
CDP-ethanolamine	ME327632	0.90	1.29	0.85	0.96
Flavin adenine dinucleotide oxidized	ME327643	0.88	1.30	0.84	0.98
5-guanidino-2-oxopentanoic acid	ME327679	0.81	1.07	0.91	1.21
acetylcholine/4-(trimethylammonio)butanoate	ME327653	0.87	1.14	0.83	1.16
histamine	ME327647	0.85	1.23	0.74	1.17
(R)-mevalonate	ME327652	0.84	1.19	0.76	1.22
3-Ureidoisobutyrate/Glycylsarcosine	ME327650	0.85	1.18	0.77	1.21
L-glutamine	ME327697	0.85	1.18	0.77	1.20
indole-3-acetate/(5-hydroxyindol-3-yl)acetaldehyde	ME327664	0.95	1.05	0.77	1.23
Folate	ME327694	0.94	1.05	0.85	1.16
L-histidine	ME327688	0.96	1.07	0.82	1.14
trans-Hexadec-2-enoyl carnitine	ME327728	0.91	0.89	1.36	0.83
lauroyl carnitine	ME327732	0.91	0.90	1.15	1.04
tetradecanoyl carnitine(myristoyl carnitine)	ME327727	0.95	0.85	1.15	1.05
Guanine	ME327704	1.10	0.77	1.27	0.86
N-acetylneuraminic acid	ME327626	1.12	0.85	1.24	0.79
5,6-dihydrothymine	ME327592	1.07	0.93	1.14	0.86
naphthalene	ME327616	1.13	0.84	1.13	0.89
3-Hydroxy-N6N6N6-trimethyl-L-lysine	ME327615	1.22	0.82	1.25	0.70
S-adenosyl-L-methionine	ME327692	1.34	0.79	1.17	0.70
3-Hydroxybutyrylcarnitine	ME327711	1.28	0.82	1.16	0.74
Glycylleucine	ME327658	1.29	0.78	1.16	0.76
C18H32O4(3)	ME327670	1.31	0.72	1.16	0.81
cytosine	ME327705	1.24	0.75	1.22	0.78
CMP-N-acetyl-beta-neuraminate	ME327638	1.20	0.96	1.13	0.71
GSSG	ME327637	1.19	0.97	1.10	0.74
glutaryl carnitine	ME327715	1.24	0.91	1.06	0.80
Glycylproline/L-Prolinylglycine	ME327655	1.29	0.83	1.09	0.80
C27H42O4(3)	ME327677	1.38	1.03	0.91	0.68
N-Acetylmethionine	ME327656	1.33	0.95	0.91	0.80
limonene/(+)-alpha-pinene	ME327663	1.36	0.83	0.92	0.90
choline phosphate	ME327595	1.20	1.03	0.92	0.85
D-Alanyl-D-alanine	ME327600	1.25	0.90	0.94	0.91
3(S)10(R)-OH-octadeca-6-trans-412-cis-trienoate	ME327631	1.18	0.89	1.00	0.93
perillyl aldehyde	ME327617	1.23	0.87	1.00	0.90
Adrenaline/L-Normetanephrine	ME327661	1.11	0.91	1.01	0.97
L-serine	ME327681	1.15	0.96	0.96	0.93
succinyl carnitine	ME327712	1.15	0.95	0.98	0.92
3-hydroxyhexadecanoylcarnitine	ME327724	0.76	0.12	2.82	0.30
alpha-linolenyl carnitine/gamma-linolenyl carnitine	ME327729	1.07	0.34	2.41	0.18
beta-1-4-mannose-N-acetylglucosamine	ME327633	1.14	0.04	2.32	0.49
octenoyl carnitine	ME327716	1.03	0.31	2.23	0.43
stearoylcarnitine	ME327726	1.23	0.33	2.01	0.43
3-hydroxyhexadecenoylcarnitine	ME327723	2.19	0.50	0.92	0.38
C20H30O(4)	ME327672	2.76	0.25	0.86	0.13
CMP-N-trimethyl-2-aminoethylphosphonate	ME327634	2.32	0.23	1.34	0.11
25-hydroxyvitamin D3-26-23-lactone	ME327641	2.44	0.23	1.17	0.17
C27H46O2(5)	ME327675	2.46	0.17	1.21	0.16
Trimethylamine N-oxide	ME327736	2.08	0.17	1.54	0.21
N6N6N6-Trimethyl-L-lysine	ME327613	1.96	0.28	1.55	0.21
Phosphodimethylethanolamine	ME327591	2.05	0.31	1.44	0.20
24-oxo-1alpha-23-25-trihydroxyvitamin D3	ME327642	2.27	0.06	1.63	0.04
xanthosine	ME327620	2.20	0.10	1.61	0.09
L-homocysteine	ME327685	2.14	0.01	1.83	0.02
creatinine	ME327589	1.84	0.12	1.92	0.12
citr_L[e]	ME327601	2.02	0.11	1.75	0.11
N-Methylethanolamine phosphate	ME327588	2.07	0.07	1.74	0.12
decenoyl carnitine	ME327718	1.93	0.10	1.86	0.11
Methylimidazoleacetic acid	ME327598	1.96	0.11	1.82	0.11
NeuNGc	ME327627	1.99	0.08	1.80	0.13
4-trimethylammoniobutanal	ME327603	1.45	0.25	2.02	0.28
O-acetylcarnitine	ME327708	1.53	0.21	1.91	0.35
5-Hydroxyindoleacetate	ME327618	1.80	0.35	1.34	0.51
L-kynurenine	ME327666	1.71	0.43	1.31	0.55
Ornithine	ME327649	1.73	0.55	1.39	0.32
Urocanate	ME327597	1.86	0.37	1.47	0.29
C6H11NO3(4)	ME327651	1.73	0.38	1.52	0.36
N(2)-acetyl-L-ornithine	ME327606	1.74	0.37	1.45	0.44
Biotin	ME327690	1.60	0.30	1.61	0.50
pseudoecgonine/ecgonine	ME327662	1.47	0.34	1.70	0.49
L-Alanyl-L-leucine	ME327614	1.84	0.28	1.61	0.27
butyryl carnitine	ME327710	1.77	0.29	1.68	0.26
gama-L-glutamyl-L-alanine/5-L-Glutamyl-L-alanine-1	ME327659	1.76	0.33	1.69	0.22
C4H9NO2(4)	ME327645	1.62	0.36	1.66	0.36
(R)-carnitine	ME327707	1.69	0.30	1.68	0.33
NN-dimethylglycine	ME327683	1.67	0.28	1.75	0.30
octanoyl carnitine/L-Octanoylcarnitine	ME327717	1.70	0.28	1.77	0.26
C20H28O(5)	ME327671	1.67	0.77	1.01	0.55
tetradecenoyl carnitine	ME327720	1.78	0.60	1.04	0.58
N-methyl-467-trihydroxy-1234-tetrahydroisoquinoline	ME327619	1.39	0.93	1.23	0.45
propionyl-carnitine	ME327709	1.32	0.95	1.21	0.52
2-deoxycytidine	ME327702	1.26	0.66	1.37	0.71
glutathione	ME327621	1.32	0.74	1.36	0.58
C27H44O2(5)	ME327674	1.51	0.69	1.18	0.62
creatine	ME327590	1.42	0.79	1.21	0.58
glycine betaine	ME327696	1.62	0.50	1.36	0.52
thymine/imidazol-4-ylacetate	ME327706	1.64	0.59	1.28	0.49
L-cysteinylglycine	ME327594	1.50	0.55	1.43	0.52
isoputreanine/putreanine	ME327654	1.47	0.62	1.33	0.58
C20H28O2(7)	ME327673	1.55	0.60	1.26	0.58
CDPcholine	ME327635	1.55	0.58	1.32	0.55
Linoleyl carnitine/Linoelaidyl carnitine	ME327730	0.97	0.68	1.65	0.70
Elaidic carnitine/Vaccenyl carnitine	ME327731	1.02	0.69	1.51	0.79
L-palmitoylcarnitine	ME327722	0.89	0.66	1.60	0.85
decanoyl carnitine	ME327719	1.35	0.46	1.74	0.46
heptadecanoyl carnitine	ME327725	1.16	0.51	1.73	0.60
5-Methylthioadenosine	ME327625	1.30	0.49	1.62	0.59
pendtadenoyl carnitine	ME327721	1.25	0.62	1.54	0.60

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