Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001611)

HILIC NEGATIVE ION MODE (Analysis AN002646)

Metabolite	Structure	F1	F2
C20H30O4(18)	ME382101	1.67	0.33
dUMP	ME382158	1.66	0.34
C20H32O3(12)	ME382100	1.59	0.41
N-Carbamoyl-L-aspartate	ME382005	1.56	0.44
trans-4,5-epoxy-2(E)-decenal	ME382034	1.13	0.87
tetradecenoate (n-C14:1)	ME382043	1.13	0.87
N-Formimidoyl-L-glutamate	ME382080	1.13	0.87
2-keto-3-deoxy-D-glycero-D-galactononic acid 9-phosphate	ME382032	1.13	0.87
Deoxyuridine	ME382140	1.13	0.87
5-Amino-1-(5-Phospho-D-ribosyl)imidazole-4-carboxamide	ME382119	1.12	0.88
L-Iditol/D-glucitol/galactitol	ME382084	1.12	0.88
7,9-dihydro-1H-purine-2688(3H)-trione	ME382004	1.14	0.86
Perillic acid	ME382033	1.15	0.85
L-glutamate	ME382114	1.15	0.85
L-4-hydroxyglutamate semialdehyde	ME382072	1.15	0.85
Glycyl-phenylalanine	ME382039	1.15	0.85
11^-Carboxy-alpha-chromanol	ME382052	1.15	0.85
3-Keto-beta-D-galactose/L-Gulonolactone	ME382082	1.15	0.85
arachidonic acid	ME382098	1.16	0.84
3-dehydro-L-gulonate/D-glucuronate/L-iduronate	ME382085	1.17	0.83
UDP-N-acetyl-alpha-D-glucosamine/UDP-N-acetyl-alpha-D-galactosamine	ME382106	1.17	0.83
omega hydroxy dodecanoate (n-C12:0)	ME382041	1.06	0.94
L-fucose/L-Fuculose	ME382079	1.06	0.94
Galactosylglycerol	ME382028	1.06	0.94
beta-hydroxy-beta-methylbutyrate	ME382001	1.06	0.94
2-deoxy-D-ribose 5-phosphate/2-Deoxy-D-ribose 1-phosphate	ME382076	1.06	0.94
9(10)-EpOME/12(13)-EpOME	ME382094	1.06	0.94
omega hydroxy tetradecanoate (n-C14:0)	ME382046	1.07	0.93
L-tryptophan	ME382038	1.07	0.93
C20H30O2(4)	ME382097	1.07	0.93
fructosyllysine	ME382042	1.07	0.93
pyruvate	ME382147	1.04	0.96
aspartate	ME382117	1.04	0.96
fumarate	ME382153	1.04	0.96
malate(2-)	ME382154	1.05	0.95
lysine	ME382008	1.05	0.95
laurate	ME382040	1.05	0.95
lactate	ME382148	1.05	0.95
Azelaic acid	ME382024	1.05	0.95
itaconate/Mesaconate	ME382071	1.05	0.95
N-acetyl-seryl-aspartate	ME382030	1.08	0.92
IMP	ME382120	1.08	0.92
2-oxoglutarate(2-)	ME382151	1.08	0.92
8,11,14-Eicosatrienoic acid (DGLA)	ME382058	1.08	0.92
L-arabinitol/xylitol/D-ribitol	ME382074	1.09	0.91
gama-L-glutamyl-L-alpha-aminobutyrate	ME382027	1.09	0.91
fructoselysine 3-phosphate	ME382060	1.09	0.91
citrate/isocitrate	ME382149	1.09	0.91
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid	ME382031	1.09	0.91
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate	ME382070	1.09	0.91
cis-aconitate	ME382150	1.10	0.90
Methylisocitric acid/2-methylcitrate	ME382087	1.10	0.90
L-cysteate	ME382111	1.11	0.89
Valine	ME382157	1.11	0.89
Thymidine	ME382138	0.96	1.04
Taurine	ME381991	0.96	1.04
docosahexaenoate(DHA)	ME382102	0.96	1.04
margarate	ME382054	0.96	1.04
arginine	ME382010	0.97	1.03
palmitoleate	ME382049	0.98	1.02
omega hydroxy hexadecanoate (n-C16:0)	ME382051	0.98	1.02
6(S)-hydroxy-tetradeca-2E4E8Z-trienoate/6(R)-hydroxy-tetradeca-2E4E8Z-trienoate	ME382045	0.98	1.02
Glycerol 3-phosphate	ME381993	0.98	1.02
4-hydroperoxy-2-nonenal	ME382023	1.03	0.97
stearate	ME382055	1.03	0.97
9,10-hydroxyoctadec-12(Z)-enoate/12,13-hydroxyoctadec-9(Z)-enoate	ME382095	1.02	0.98
L-erythrulose	ME381995	1.02	0.98
palmitate	ME382050	1.01	0.99
myristate	ME382044	1.01	0.99
caprate	ME382035	1.01	0.99
clupanodonic acid/docosa-4,7,10,13,16-pentaenoic acid	ME382103	1.01	0.99
pentadecanoate	ME382048	0.99	1.01
L-xylonate/L-lyxonate	ME382075	0.99	1.01
Hypotaurine	ME381990	0.99	1.01
C5H10O5(6)	ME382073	0.99	1.01
2-methylglutaconic acid	ME382007	0.99	1.01
alpha-D-glucose	ME382141	0.99	1.01
UDP-alpha-D-xylose	ME382061	1.00	1.00
NADPH	ME382066	1.00	1.00
Ercalcitriol	ME382108	1.00	1.00
Eicosenoic acid	ME382059	1.00	1.00
dUDP	ME382133	1.00	1.00
dTTP	ME382160	1.00	1.00
Diphosphate	ME382110	1.00	1.00
carnosine	ME382026	1.00	1.00
ADP-mannose/GDP-L-fucose/ADP alpha-D-glucoside	ME382105	1.00	1.00
3(S)6(R)-dihydroxy-tetradec-8Z-enoate/3(S)6(S)-dihydroxy-tetradec-8Z-enoate	ME382047	1.00	1.00
4-hydroxy-2-nonenal/3,4-epoxynonanal	ME382089	1.00	1.00
3-Hydroxybutyric acid	ME382163	0.93	1.07
acetoacetate	ME382155	0.94	1.06
N(omega)-(L-Arginino)succinate	ME382037	0.94	1.06
w-hydroxydecanoicacid	ME382036	0.92	1.08
pristanic acid	ME382096	0.92	1.08
D-Glycerate 3-phosphate/D-Glycerate 2-phosphate	ME382145	0.92	1.08
2-Hydroxyglutarate	ME382156	0.92	1.08
allantoate	ME381997	0.92	1.08
4-Hydroxyphenylacetate/2-Hydroxyphenylacetate/3,4-Dihydroxyphenylacetaldehyde	ME382088	0.91	1.09
nonanoate	ME382022	0.91	1.09
succinate(2-)	ME382152	0.89	1.11
(R)-Pantothenate	ME382025	0.89	1.11
Phosphoenolpyruvate	ME382146	0.89	1.11
N-acetyl-L-glutamate	ME382015	0.89	1.11
linoleic acid/linoelaidic acid (all trans C18:2)/octadecadienoate (n-C18:2)	ME382092	0.89	1.11
Deoxyinosine	ME382139	0.89	1.11
Dihydroxyacetone phosphate	ME382144	0.89	1.11
L-Fucose 1-phosphate	ME382011	0.88	1.12
Propionic acid	ME382162	0.88	1.12
G6P/F6P	ME382142	0.85	1.15
4-pyridoxate	ME382019	0.85	1.15
6-Phosphogluconic acid	ME382013	0.85	1.15
D-Erythrose 4-phosphate	ME381998	0.86	1.14
oleic acid/elaidate/trans-vaccenate	ME382093	0.86	1.14
C20H30O3(6)	ME382099	1.37	0.63
CMP	ME382127	1.38	0.62
uracil	ME382116	1.38	0.62
(S)-dihydroorotate	ME382003	1.40	0.60
Xanthine	ME382002	1.39	0.61
Hypoxanthine	ME382118	1.48	0.52
12,13-epoxy-9-hydroperoxy-10E-octadecenoate	ME382056	1.44	0.56
inosine	ME382134	1.44	0.56
myo-inositol	ME382115	1.25	0.75
uridine	ME382137	1.23	0.77
C14H24O3(4)	ME382091	1.23	0.77
UDP-D-glucuronate	ME382063	1.23	0.77
UDP-D-glucose/UDP-D-galactose	ME382104	1.24	0.76
C6H12O6(5)	ME382083	1.24	0.76
cytidine	ME382136	1.24	0.76
ribose-phosphate	ME382077	1.18	0.82
4(R)-hydroxy-dodec-6Z-enoate/4(S)-hydroxy-dodec-6Z-enoate	ME382090	1.19	0.81
ADP-ribose	ME382062	1.19	0.81
3-methyl-2-oxobutanoate	ME382000	1.21	0.79
O-Phospho-L-serine	ME381994	1.21	0.79
D-Glucosamine 6-phosphate	ME382012	1.20	0.80
L-threonate	ME381996	1.20	0.80
Sedoheptulose 7-phosphate	ME382017	1.32	0.68
3-methyl-2-oxopentanoate/4-methyl-2-oxopentanoate(ketoleucine)	ME382078	1.33	0.67
UMP	ME382130	1.33	0.67
fructoseglycine	ME382020	1.28	0.72
3-hydroxyanthranilate	ME382014	1.27	0.73
N-acetyl-L-cystathionine	ME382113	1.27	0.73
GMP	ME382121	1.30	0.70
S-[2-carboxy-1-(1 H-imidazol-4-yl)ethyl]-L-cysteine	ME382029	1.29	0.71
guanosine	ME382135	1.29	0.71
gulonate	ME382086	1.29	0.71
D-Glucuronate 1-phosphate	ME382112	0.75	1.25
UDP	ME382131	0.76	1.24
L-isoleucine/L-leucine	ME382109	0.80	1.20
N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide	ME382021	0.80	1.20
Hexadecanedioic acid	ME382053	0.81	1.19
CDP	ME382128	0.82	1.18
sedoheptulose 1,7-bisphosphate	ME382018	0.82	1.18
ADP	ME382125	0.62	1.38
N1-(5-Phospho-D-ribosyl)glycinamide	ME382016	0.60	1.40
AMP	ME382124	0.71	1.29
N-acetyl-L-aspartate/2-Amino-3-oxoadipate	ME382081	0.65	1.35
2-aminomuconate	ME382009	0.67	1.33
GDP	ME382122	0.67	1.33
cholesterol sulfate	ME382067	0.69	1.31
NADH	ME382065	0.68	1.32
N-phosphocreatinate	ME381999	0.68	1.32
5-Phospho-beta-D-ribosylamine	ME382006	0.44	1.56
beta-D-Fructose 1,6-bisphosphate	ME382143	0.46	1.54
GTP	ME382123	0.39	1.61
ATP	ME382126	0.42	1.58
UTP	ME382132	0.41	1.59
CTP	ME382129	0.27	1.73
Taurodeoxycholic acid/taurochenodeoxycholate	ME382107	0.15	1.85

Factors:

F1	Treatment:Sarcoma
F2	Treatment:Skeletal muscle

Data matrix