Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003665)

HILIC UNSPECIFIED ION MODE (Analysis AN006022)

Metabolite	Structure	F1	F2	F3
N-acetyl-L-ornithine	ME956244	0.60	1.56	0.83
D-glucosamine-1-phosphate	ME956271	0.67	1.99	1.00
2-oxo-4-methylthiobutanoate	ME956365	0.81	1.82	0.76
glucose-1-phosphate	ME956420	0.79	1.75	0.94
nicotinamide	ME956215	0.02	2.11	1.91
Adenylosuccinate	ME956323	0.20	1.67	1.86
5-phosphoribosyl-1-pyrophosphate	ME956445	0.30	1.90	1.60
6-phospho-D-gluconate	ME956427	0.19	1.84	1.79
isocitrate	ME956401	0.22	1.81	1.76
CDP-choline	ME956467	0.27	1.77	1.71
choline	ME956200	0.31	1.80	1.64
CDP-ethanolamine	ME956459	0.43	1.36	1.67
dimethylglycine	ME956202	0.35	1.31	1.83
allantoate	ME956387	0.61	1.16	1.51
1,3-diphopshateglycerate	ME956423	0.53	1.09	1.65
Imidazoleacetic acid	ME956216	0.45	1.20	1.73
2,3-Diphosphoglyceric acid	ME956424	0.65	1.74	1.15
glucono-?-lactone	ME956392	0.53	1.75	1.33
putrescine	ME956317	0.56	1.74	1.29
taurine	ME956350	0.46	1.57	1.53
D-gluconate	ME956404	0.39	1.67	1.58
Glycerophosphocholine	ME956268	0.39	1.61	1.61
HMG-CoA_pos	ME956330	0.55	1.57	1.39
Methylmalonic acid	ME956347	0.54	1.44	1.47
N-carbamoyl-L-aspartate-nega	ME956390	0.55	1.40	1.47
aconitate	ME956386	0.51	1.49	1.50
betaine	ME956208	0.51	1.52	1.47
histidinol	ME956229	0.80	1.20	NA
acetyl-CoA-posi	ME956311	0.84	0.72	1.37
shikimate-3-phosphate	ME956417	0.88	0.63	1.37
4-phosphopantothenate	ME956487	0.73	0.75	1.53
SBP	ME956441	0.75	0.84	1.45
trans, trans-farnesyl diphosphate	ME956442	0.73	0.79	1.37
cholesterol	ME956324	0.64	0.49	1.80
cholesteryl sulfate	ME956461	0.82	0.43	1.56
Indoleacrylic acid	ME956398	1.11	0.96	0.86
tyrosine	ME956249	1.11	0.96	0.85
citrulline	ME956246	1.11	0.92	0.87
indole	ME956207	1.13	0.94	0.83
Methylcysteine	ME956226	1.13	0.92	0.85
valine	ME956209	1.14	0.91	0.83
deoxyadenosine	ME956267	1.08	1.03	0.86
tryptophan	ME956258	1.09	1.00	0.86
Xanthurenic acid	ME956406	1.09	1.00	0.86
S-adenosyl-L-methionine	ME956298	1.06	0.98	0.92
ATP-nega	ME956470	1.07	0.94	0.92
dGTP	ME956471	1.08	0.96	0.90
fumarate	ME956342	0.97	1.07	1.01
dCTP-nega	ME956462	0.98	1.00	1.02
glucosamine	ME956248	0.97	1.01	1.03
p-aminobenzoate	ME956359	0.96	1.02	1.05
Pyrophosphate	ME956391	0.96	1.00	1.05
dGMP	ME956290	1.05	1.01	0.95
3-hydroxybuterate	ME956489	1.03	0.99	0.96
malate	ME956356	1.03	1.01	0.96
FAD	ME956310	1.01	1.05	0.96
malonyl-CoA-posi	ME956314	1.03	1.03	0.94
adenine	ME956225	1.02	1.02	0.95
GTP-nega	ME956472	1.01	1.03	0.96
Aminoadipic acid	ME956374	1.00	0.95	1.03
NADP+_posi	ME956307	0.99	0.93	1.04
biotin	ME956266	1.03	0.96	0.97
cytosine	ME956204	1.02	0.97	0.98
Ng,NG-dimethyl-L-arginine	ME956256	1.02	0.95	0.99
proline	ME956206	1.03	0.93	0.99
D-glyceraldehdye-3-phosphate	ME956383	0.92	0.89	1.17
acetylphosphate	ME956361	0.96	0.90	1.12
Nicotinamide ribotide	ME956287	0.96	0.88	1.12
dihydroorotate	ME956372	0.95	0.95	1.10
Pyridoxamine	ME956241	0.94	0.94	1.13
D-sedoheptulose-1-7-phosphate	ME956429	0.98	0.80	1.12
2-ketohaxanoic acid	ME956353	0.99	0.84	1.09
N-acetyl spermidine	ME956321	1.00	0.84	1.07
2,3-dihydroxybenzoic acid	ME956370	0.98	0.88	1.08
glutathione-nega	ME956431	1.00	0.88	1.07
uracil	ME956341	1.00	0.88	1.06
NAD+_nega	ME956479	0.88	0.89	1.24
dTMP	ME956283	0.94	0.77	1.21
2-oxobutanoate	ME956338	0.96	0.76	1.18
Hydroxyphenylacetic acid	ME956369	0.95	0.75	1.19
S-ribosyl-L-homocysteine-nega	ME956425	1.08	0.61	1.07
7-methylguanosine	ME956280	1.02	0.68	1.13
allantoin	ME956373	1.05	0.70	1.08
deoxyinosine	ME956416	1.06	0.71	1.05
hydroxyproline	ME956220	1.15	0.71	0.92
arginine	ME956245	1.12	0.79	0.93
dUTP-nega	ME956463	1.10	0.81	0.95
orotidine-5-phosphate	ME956440	1.09	0.74	0.99
spermine	ME956319	1.08	0.74	1.02
N-acetyl spermine	ME956320	1.08	0.78	0.99
aminoimidazole carboxamide ribonucleotide	ME956288	1.10	0.76	0.97
Guanidoacetic acid	ME956345	1.11	0.76	0.95
homocysteine	ME956227	1.10	0.85	0.93
NADP+_nega	ME956483	1.12	0.87	0.89
coenzyme A-posi	ME956309	1.05	0.83	1.01
glutathione	ME956282	1.07	0.82	0.98
spermidine	ME956318	1.03	0.90	1.01
Taurodeoxycholic acid	ME956469	1.06	0.87	1.01
O8P-O1P	ME956434	1.30	0.80	0.66
DL-Pipecolic acid	ME956218	1.24	0.74	0.77
N-acetyl-L-alanine	ME956328	1.24	0.77	0.76
creatine	ME956214	1.25	0.74	0.75
Creatinine	ME956205	1.25	0.76	0.74
Acetylcarnitine DL	ME956257	1.20	0.74	0.83
methionine	ME956234	1.22	0.73	0.80
ADP-D-glucose	ME956475	1.17	0.87	0.81
glutamine	ME956231	1.17	0.85	0.81
leucine-isoleucine	ME956221	1.16	0.84	0.83
Phenyllactic acid	ME956378	1.17	0.83	0.83
cystathionine	ME956262	1.17	0.82	0.83
Indole-3-carboxylic acid	ME956375	1.17	0.82	0.84
S-adenosyl-L-homocysteine-nega	ME956443	1.22	0.85	0.74
S-adenosyl-L-homoCysteine-posi	ME956297	1.23	0.86	0.73
5-methoxytryptophan	ME956263	1.22	0.82	0.76
purine	ME956212	1.21	0.81	0.77
dCDP-nega	ME956444	1.20	0.83	0.78
phenylalanine	ME956240	1.21	0.84	0.77
a-ketoglutarate	ME956363	1.21	0.79	0.78
lysine	ME956230	1.20	0.81	0.80
dihydroxy-acetone-phosphate	ME956382	1.38	0.50	0.68
ribose-phosphate	ME956413	1.34	0.58	0.70
N-acetyl-aspartylglutamic acid	ME956331	1.40	0.67	0.56
alanine	ME956198	1.39	0.61	0.61
1-Methyl-Histidine	ME956243	1.40	0.61	0.59
sarcosine	ME956316	1.40	0.60	0.60
betaine aldehyde	ME956199	1.36	0.61	0.65
N-acetyl-glutamine	ME956254	1.38	0.60	0.64
CMP	ME956284	1.38	0.60	0.63
histidine	ME956236	1.38	0.61	0.63
Acetyllysine	ME956253	1.34	0.66	0.66
N6-Acetyl-L-lysine	ME956252	1.34	0.64	0.67
carnitine	ME956238	1.38	0.64	0.61
threonine	ME956210	1.36	0.66	0.63
UDP-D-glucuronate	ME956474	1.36	0.64	0.63
cyclic-AMP	ME956436	1.26	0.57	0.83
N-acetyl-glucosamine	ME956260	1.29	0.62	0.76
glycerol 3-phosphate	ME956491	1.27	0.65	0.78
sn-glycerol-3-phosphate	ME956384	1.28	0.65	0.75
thymine	ME956217	1.29	0.73	0.70
CDP-nega	ME956449	1.30	0.66	0.72
OBP	ME956447	1.30	0.69	0.71
FMN	ME956460	1.58	0.74	0.26
lipoate	ME956407	1.33	0.70	0.30
UMP	ME956285	1.42	0.80	0.47
dTDP-nega	ME956448	1.38	0.80	0.53
homoserine	ME956211	1.38	0.79	0.53
trehalose-6-Phosphate	ME956452	0.74	1.56	1.11
Pyroglutamic acid	ME956351	0.78	1.40	1.13
folate	ME956299	0.75	1.47	1.13
trehalose-sucrose	ME956438	0.76	1.48	1.12
NADH-nega	ME956480	0.73	1.19	1.31
Phenylpropiolic acid	ME956364	0.71	1.18	1.35
citrate	ME956402	0.70	1.27	1.32
D-glucono-?-lactone-6-phosphate	ME956418	0.73	1.27	1.28
xanthine	ME956368	0.73	1.24	1.28
myo-inositol	ME956393	0.68	1.37	1.30
Citraconic acid	ME956352	0.66	1.35	1.33
dCMP	ME956281	0.67	1.37	1.32
succinate	ME956346	0.66	1.37	1.33
NADH	ME956305	0.64	1.31	1.38
citrate-isocitrate	ME956400	0.64	1.35	1.37
orotate	ME956371	0.62	1.36	1.40
itaconic acid	ME956490	0.67	1.43	1.27
sorbitol	ME956492	0.69	1.46	1.24
retinoic acid	ME956327	0.68	1.50	1.23
xanthosine-5-phosphate	ME956295	0.67	1.49	1.24
dTMP-nega	ME956435	0.72	1.40	1.22
glucose-6-phosphate	ME956421	0.73	1.35	1.22
CTP-nega	ME956465	0.72	1.35	1.25
Flavone	ME956261	0.71	1.33	1.27
dUMP-nega	ME956432	0.87	0.98	1.21
7,8-dihydrofolate	ME956300	0.78	1.00	1.22
hexose-phosphate	ME956419	0.84	1.06	1.21
S-methyl-5-thioadenosine	ME956279	0.83	1.07	1.22
deoxyribose-phosphate	ME956409	0.78	1.08	1.29
D-erythrose-4-phosphate	ME956405	0.81	0.99	1.29
dTTP-nega	ME956464	0.80	0.97	1.32
acetoacetate	ME956339	0.74	0.95	1.42
Atrolactic acid	ME956377	0.75	0.95	1.40
fructose-6-phosphate	ME956422	0.73	1.03	1.39
Geranyl-PP	ME956433	0.72	1.09	1.38
riboflavin	ME956296	0.70	1.12	1.39
cytidine	ME956265	0.76	1.27	1.23
glutathione disulfide-posi	ME956303	0.80	1.29	1.15
glutathione disulfide-nega	ME956478	0.79	1.25	1.19
guanosine 5-diphosphate,3-diphosphate	ME956476	0.79	1.28	1.18
2-hydroxygluterate	ME956485	0.85	1.17	1.15
glutamate	ME956233	0.84	1.19	1.14
fructose-1,6-bisphosphate	ME956437	0.82	1.21	1.17
2-Hydroxy-2-methylbutanedioic acid	ME956366	0.84	1.22	1.13
N-acetyl-glutamate	ME956255	0.84	1.23	1.13
mevalonate	ME956333	0.83	1.23	1.15
phosphocreatine	ME956326	0.83	1.21	1.15
p-hydroxybenzoate	ME956360	0.87	1.20	1.10
phosphoenolpyruvate	ME956380	0.89	1.23	1.04
3-phosphoglycerate	ME956397	0.89	1.21	1.05
5-methyl-THF	ME956301	0.88	1.21	1.07
UTP-nega	ME956466	0.94	1.23	0.97
deoxyguanosine	ME956274	0.99	1.11	0.96
N-acetyl-L-aspartic acid	ME956332	0.99	1.13	0.95
Maleic acid	ME956343	0.94	1.01	1.09
pyridoxine	ME956242	0.93	1.00	1.11
2-Isopropylmalic acid	ME956389	0.91	0.97	1.15
Kynurenic acid	ME956399	0.90	1.01	1.14
dAMP	ME956286	0.89	1.14	1.10
dATP-nega	ME956468	0.87	1.11	1.13
aspartate	ME956224	0.87	1.11	1.14
Carbamoyl phosphate	ME956362	0.87	1.11	1.14
D-glucosamine-6-phosphate	ME956270	0.92	1.15	1.05
Urea	ME956195	0.94	1.15	1.02
oxaloacetate	ME956354	0.95	1.05	1.05
UDP-D-glucose	ME956473	0.93	1.06	1.08
2-keto-isovalerate	ME956344	0.93	1.10	1.06
NAD+_posi	ME956304	0.93	1.09	1.06
3-methylphenylacetic acid	ME956367	0.91	1.10	1.08
lactate	ME956337	0.91	1.08	1.10
dephospho-CoA-nega	ME956481	1.39	1.11	0.75
succinyl-CoA-posi	ME956315	1.07	1.16	0.82
4-Pyridoxic acid	ME956396	1.02	1.28	0.83
dehydroascorbic acid	ME956488	1.05	1.33	0.76
2-dehydro-D-gluconate	ME956403	1.25	1.07	0.59
quinolinate	ME956379	1.12	1.23	0.71
1-Methyladenosine	ME956276	1.17	1.21	0.64
N-Acetylputrescine	ME956219	1.17	1.18	0.66
inosine	ME956426	1.09	1.55	0.59
2-deoxyglucose-6-phosphate	ME956486	0.98	1.44	0.81
NADPH-nega	ME956484	0.96	1.50	0.81
anthranilate	ME956358	0.90	1.41	0.94
ethanolamine	ME956196	0.88	1.33	1.01
adenosine	ME956275	1.97	0.03	0.03
GMP	ME956294	1.85	0.15	0.15
Nicotinamide Riboside	ME956322	1.45	0.36	0.64
Kynurenine	ME956259	1.50	0.40	0.55
L-arginino-succinate	ME956278	1.50	0.37	0.57
IMP	ME956292	1.46	0.51	0.56
N-carbamoyl-L-aspartate	ME956247	1.46	0.50	0.56
4-aminobutyrate	ME956201	1.44	0.58	0.55
AMP	ME956291	1.45	0.55	0.55
N-acetyl-glucosamine-1-phosphate	ME956430	1.53	0.42	0.50
arginosuccinic acid	ME956325	1.50	0.51	0.50
glycerate	ME956340	1.51	0.49	0.49
UDP-nega	ME956450	1.51	0.49	0.49
asparagine	ME956223	1.52	0.47	0.49
gluterate	ME956493	1.51	0.47	0.50
ornithine	ME956222	1.50	0.45	0.52
UDP-N-acetyl-glucosamine	ME956477	1.48	0.45	0.56
ADP-nega	ME956455	1.59	0.42	0.40
2-Aminooctanoic acid	ME956237	1.58	0.42	0.41
dGDP-nega	ME956456	1.58	0.42	0.42
Methionine sulfoxide	ME956239	1.56	0.48	0.43
adenosine 5-phosphosulfate	ME956454	1.56	0.45	0.44
IDP-nega	ME956457	1.57	0.44	0.42
D-glucarate	ME956408	1.56	0.37	0.48
thiamine-phosphate	ME956289	1.59	0.34	0.44
guanosine	ME956277	1.51	0.62	0.43
Ascorbic acid	ME956388	1.58	0.53	0.37
pantothenate	ME956410	1.53	0.54	0.43
3-phospho-serine	ME956251	1.77	0.19	0.25
hypoxanthine	ME956357	1.70	0.15	0.37
methylnicotinamide	ME956228	1.71	0.19	0.34
xanthosine	ME956428	1.73	0.19	0.31
Uric acid	ME956381	1.71	0.26	0.31
Thiamine pyrophosphate	ME956453	1.68	0.29	0.33
uridine	ME956415	1.67	0.28	0.36
GDP-nega	ME956458	1.66	0.34	0.34
acadesine	ME956269	1.63	0.41	0.36
serine	ME956203	1.63	0.37	0.37
dephospho-CoA-posi	ME956306	0.68	NA	1.49
thiamine	ME956272	1.04	0.00	1.43
O-acetyl-L-serine	ME956232	1.02	0.39	1.27
acetoacetyl-CoA-posi	ME956313	1.09	0.48	1.13
S-ribosyl-L-homocysteine-posi	ME956273	1.22	0.52	1.03
Hydroxyisocaproic acid	ME956355	1.34	0.23	1.04
deoxyuridine	ME956412	1.23	NA	0.77
nicotinate	ME956349	1.17	NA	0.91
homocysteic acid	ME956395	1.09	NA	0.91
glyoxylate	ME956334	1.04	NA	0.94
propionyl-CoA-posi	ME956312	1.04	NA	0.94
Cystine	ME956264	0.11	4.92	0.38
cysteine	ME956213	0.24	3.89	0.70
NADPH	ME956308	0.41	2.67	1.06
Phosphorylcholine	ME956250	0.26	3.09	1.07

Factors:

F1	Sample source:pancreatic cancer cells,PANC1 \| Treatment:CLSA25
F2	Sample source:pancreatic cancer cells, PANC1 \| Treatment:Control
F3	Sample source:pancreatic cancer cells,PANC1 \| Treatment:Control

Data matrix