Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003599)

HILIC UNSPECIFIED ION MODE (Analysis AN005914)

Metabolite	Structure	F1	F2	F3	F4
Acetylcarnitine	ME933620	1.97	0.00	0.00	0.00
Carnitine	ME933641	1.76	0.00	0.78	0.00
3-Hydroxybutyrate	ME933608	0.94	1.63	0.25	1.11
Xanthine	ME933627	0.78	1.57	0.63	1.37
Glyceraldehyde 3-phosphate	ME933700	0.84	0.84	0.72	1.64
phosphocreatine	ME933688	0.83	0.58	0.43	1.78
UDP	ME933708	1.08	0.61	0.60	1.31
UDP-glucose	ME933701	1.03	0.61	0.83	1.27
2/3-phosphoglycerate	ME933713	1.09	0.65	0.72	1.18
GDP	ME933723	1.06	0.66	0.75	1.23
GDP-glucose	ME933720	1.25	0.60	0.64	0.90
fructose-16-bisphosphate	ME933730	1.16	0.54	0.71	1.10
cAMP	ME933615	1.14	0.72	0.58	1.11
ADP	ME933698	1.14	0.68	0.74	1.03
Phosphoenolpyruvate	ME933718	1.14	0.69	0.68	1.06
ATP	ME933711	1.24	0.60	0.40	1.07
NADP	ME933710	1.21	0.76	0.41	1.02
GTP	ME933727	1.16	0.51	0.53	1.07
CDP	ME933716	1.28	0.34	0.47	1.08
UTP	ME933722	1.24	0.46	0.33	1.15
Adenosine	ME933605	1.37	0.63	0.76	0.53
Succinylglutathione	ME933725	1.49	0.47	0.70	0.39
Glycerylphosphorylcholine	ME933656	1.16	1.26	0.66	0.69
N-acetylneuramic acid	ME933646	1.23	1.21	0.70	0.52
ButyrylCarnitine	ME933604	1.16	1.09	0.65	0.79
N-acetylglucosamine	ME933629	1.13	0.95	0.75	0.88
Propionylcarnitine	ME933609	1.13	1.05	0.76	0.82
Fructose 6-Phosphate	ME933699	1.20	0.88	0.74	0.76
NAD	ME933670	1.20	0.94	0.75	0.72
Glucose 6-Phosphate	ME933707	1.23	0.84	0.84	0.66
lactoylGSH	ME933651	1.19	0.88	0.95	0.67
AcetylCholine	ME933642	1.13	0.94	0.87	0.83
Sedoheptulose 7-phosphate	ME933703	1.17	0.83	0.90	0.78
GlucoseCl-	ME933645	1.30	0.79	0.54	0.73
Octanoylcarnitine	ME933600	1.32	0.83	0.38	0.75
aKG	ME933683	1.29	0.97	0.45	0.59
orotate	ME933617	1.30	1.04	0.64	0.50
6-phosphogluconate	ME933719	1.26	1.03	0.58	0.66
Isovalerylcarnitine	ME933602	1.29	0.95	0.63	0.59
Stearoyl Carnitine	ME933595	0.76	1.70	1.38	0.87
deoxycytidine	ME933618	0.83	1.42	1.42	0.87
Lysine	ME933728	0.92	1.26	1.23	0.88
S-Adenosyl-Homocysteine	ME933649	0.96	1.30	1.21	0.77
Oleylcarnitine	ME933596	0.85	1.65	1.05	0.90
Palmitoylcarnitine	ME933598	0.82	1.61	1.15	0.94
Myristoylcarnitine	ME933597	0.91	1.44	0.90	0.99
adonitol	ME933637	0.94	1.42	1.04	0.84
Glycerate	ME933631	0.93	1.37	0.99	0.94
Glucose 1-phosphate	ME933696	1.22	0.57	0.94	0.81
malonylcarnitine	ME933650	1.22	0.64	0.92	0.77
dihydroacetone phosphate	ME933686	1.26	0.58	0.98	0.67
Guanosine	ME933638	1.27	0.69	0.97	0.58
glycerol 3-phosphate	ME933681	1.13	0.79	1.16	0.73
2-Succinylcysteine	ME933712	1.18	0.86	1.11	0.60
N-AcetylAspartate	ME933671	1.18	0.94	1.04	0.60
Pentose 5-phosphates	ME933690	1.18	0.51	1.24	0.75
Succinyladenosine	ME933678	1.10	0.61	1.42	0.76
myo-inositol	ME933685	1.16	0.67	1.27	0.68
Phosphocholine	ME933677	1.16	0.71	1.34	0.61
2-hydroxyglutarate	ME933680	1.10	0.85	1.53	0.53
Guanine	ME933635	1.20	0.67	1.46	0.45
adenylosuccinate	ME933724	1.03	0.39	1.40	0.94
GDP-fucose	ME933715	1.08	0.63	1.14	0.95
AMP	ME933667	1.02	0.65	1.24	1.03
UMP	ME933682	1.05	0.57	1.29	0.96
GMP	ME933705	0.95	0.73	1.33	1.08
IMP	ME933691	0.98	0.56	1.42	1.06
Alanine	ME933654	0.94	0.94	1.55	0.84
Hydroxyproline	ME933652	1.00	0.91	1.36	0.83
N-acetylglutamate	ME933665	1.00	0.80	1.33	0.91
Glutamine	ME933658	0.84	0.84	1.58	1.12
Uridine	ME933613	0.81	0.90	1.60	1.13
Asparagine	ME933659	0.83	1.02	1.40	1.12
Citrulline	ME933674	0.83	1.07	1.52	1.03
beta-alanine	ME933663	0.97	1.43	0.73	0.98
Glycerylphosphorylethanolamine	ME933672	1.03	1.19	0.65	1.03
Kynurenine	ME933621	1.04	1.24	0.72	0.94
Homocitrulline	ME933662	0.76	1.29	1.07	1.34
Pyroglutamic Acid	ME933614	0.87	1.18	1.00	1.20
Homocysteine	ME933628	0.81	1.11	1.10	1.31
pantothenate	ME933603	0.82	1.07	1.12	1.29
Fumarate	ME933694	1.06	0.88	1.14	0.85
Malate	ME933693	1.06	0.88	1.14	0.84
Succinate	ME933679	1.10	0.82	1.08	0.83
Argininosuccinate	ME933704	1.06	0.83	1.09	0.92
Aspartate	ME933673	1.08	0.79	1.13	0.88
UDP-GlcNac	ME933687	1.00	0.98	1.13	0.94
Carbamoyl phosphate	ME933731	1.04	0.90	1.05	0.94
Glutamate	ME933664	1.02	0.91	1.10	0.95
cis-Aconitate	ME933714	1.12	0.79	0.98	0.85
Inosine	ME933623	1.10	0.71	1.04	0.92
Adenine	ME933607	1.06	0.84	0.97	0.99
Betaine	ME933622	1.06	0.87	0.94	0.98
Citrate	ME933721	1.10	0.74	0.89	1.00
CMP	ME933695	1.04	0.75	0.98	1.07
GSH	ME933666	1.07	0.71	0.98	1.04
alanylglutamine	ME933634	1.05	0.89	0.81	1.08
NADH	ME933660	1.09	0.91	0.78	0.99
Taurine	ME933648	1.06	0.91	0.87	1.00
Hypotaurine	ME933657	1.00	0.96	0.76	1.18
GSSG	ME933717	0.98	1.07	0.87	1.08
cysteic acid	ME933675	0.99	1.02	0.87	1.10
Stearic Acid	ME933593	0.98	1.02	0.89	1.11
2-Hydroxybutyrate	ME933599	1.01	1.11	0.77	1.04
Palmitic Acid	ME933594	1.04	1.01	0.82	1.01
S-Adenosyl-Methionine	ME933692	0.93	1.09	1.29	0.93
Threonine	ME933647	0.94	1.04	1.35	0.89
Glycylglycine	ME933644	0.90	0.97	1.25	1.09
Glycine	ME933668	0.91	1.04	1.23	1.04
Hypoxanthine	ME933616	0.94	1.02	1.19	1.00
Creatinine	ME933610	0.99	0.98	0.99	1.05
Glycerol	ME933611	1.03	1.09	0.95	0.90
Lactate	ME933606	1.05	1.01	0.94	0.92
quinolinic acid	ME933676	1.04	1.01	0.92	0.95
Serine	ME933669	0.96	1.11	1.14	0.93
Leucine	ME933619	0.95	1.12	1.13	0.96
Methionine	ME933626	0.96	1.13	1.10	0.95
Proline	ME933639	1.01	1.05	1.09	0.88
CMP-acetylneuraminic acid	ME933689	0.98	1.11	1.04	0.96
Arginine	ME933729	0.99	1.04	1.05	0.97
glucosamine 6-phosphate	ME933684	1.00	1.03	1.05	0.96
Valine	ME933636	0.95	1.15	1.01	1.02
Tryptophan	ME933630	0.94	1.20	1.00	1.02
Phenylalanine	ME933612	0.96	1.19	0.99	0.97
Tyrosine	ME933640	0.96	1.19	0.98	0.99
Histidine	ME933706	0.89	1.24	1.06	1.05
Isoleucine	ME933624	0.91	1.22	1.14	0.98
N-acetylaspartylglutamate	ME933709	0.97	0.90	2.43	0.23
Ornithine	ME933726	0.71	1.34	1.86	0.92
GABA	ME933661	0.86	1.23	1.98	0.57
Cytidine	ME933633	0.82	0.97	1.93	0.86
Cytosine	ME933632	0.83	0.95	1.89	0.85
Cystathionine	ME933697	0.37	1.51	2.82	0.42
Thymine	ME933601	0.44	1.06	2.83	1.03
TMP	ME933653	0.51	0.49	2.60	1.25
Carbamoyl aspartate	ME933702	0.40	4.68	0.29	0.54
Dihydroorotic acid	ME933625	0.45	4.66	0.61	0.22
Creatine	ME933655	0.00	3.37	0.00	2.46
mannitol/sorbitol	ME933643	0.59	3.03	0.33	1.11

Factors:

F1	Group_Histology:AC
F2	Group_Histology:LCC
F3	Group_Histology:LCNEC
F4	Group_Histology:SqCC

Data matrix