Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004403)

HILIC NEGATIVE ION MODE (Analysis AN007362)

Metabolite	Structure	F1	F2	F3	F4
Glucuronic acid	ME1228497	-39.08	NA	-24.78	NA
Oxaloacetic acid	ME1228525	0.30	0.52	0.84	2.63
Glyceric acid	ME1228499	0.78	0.53	0.52	2.20
Oxalic acid	ME1228524	0.67	0.46	0.78	2.24
Folic acid	ME1228482	0.05	0.44	0.03	2.48
2-Hydroxybutyric acid	ME1228459	0.35	0.80	0.47	2.67
Uridine	ME1228536	0.16	1.08	0.31	2.77
Lactic acid	ME1228506	0.42	2.76	0.10	1.01
Pyroglutamic acid	ME1228530	0.43	1.66	0.37	1.83
3-Methyl-2-oxovaleric acid	ME1228463	0.16	2.01	0.10	2.07
Methylacetoacetic acid	ME1228514	0.18	1.98	0.14	2.03
Pyruvic acid	ME1228531	-0.06	NA	-0.03	NA
Aspartic acid	ME1228469	1.28	0.00	3.04	0.00
Citramalic acid	ME1228474	1.55	0.02	2.65	0.09
N-Methyl-glutamic acid	ME1228522	1.95	0.09	2.04	0.25
gamma-Aminobutyric acid	ME1228489	1.80	0.01	2.52	0.01
Glutamic acid	ME1228498	1.87	0.01	2.45	0.01
N-Methyl-D-aspartic acid	ME1228521	1.88	0.01	2.43	0.01
N-Acetylglycine	ME1228518	2.01	0.02	2.22	0.09
ADP	ME1228466	1.90	0.06	2.34	0.04
Fumaric acid	ME1228484	1.84	NA	2.29	0.13
AMP	ME1228468	1.58	0.17	2.40	0.15
Malic acid	ME1228509	1.75	0.07	2.25	0.22
Deoxyguanosine	ME1228478	3.62	NA	1.61	NA
Valeric acid	ME1228538	2.07	0.17	1.62	0.46
Citric acid	ME1228475	2.20	0.20	1.22	0.70
Isocitric acid	ME1228505	2.22	0.18	1.26	0.65
Succinic acid	ME1228533	2.48	0.16	1.57	0.12
Gluconic acid	ME1228492	2.46	0.02	1.69	0.14
Maleic acid	ME1228508	2.40	0.05	1.84	0.03
N-Acetylglutamic acid	ME1228517	2.37	0.07	1.77	0.12
Meso-tartaric acid	ME1228513	2.59	0.20	1.25	0.24
Tartaric acid	ME1228534	2.55	0.20	1.23	0.31
Sorbose	ME1228532	2.82	NA	1.51	NA
D-Tagatose	ME1228480	2.82	NA	1.51	NA
Psicose	ME1228529	2.82	NA	1.51	NA
Galactose	ME1228486	2.83	NA	1.51	NA
Glucose	ME1228494	2.83	NA	1.51	NA
Galactose 1-phosphate	ME1228487	2.91	0.02	1.34	0.06
Glucose 1-phosphate	ME1228495	2.91	0.03	1.34	0.04
N-Acetylaspartic acid	ME1228516	2.86	0.06	1.38	0.04
Glucose 6-phosphate	ME1228496	2.85	0.02	1.40	0.05
Mannose 6-phosphate	ME1228512	2.86	0.03	1.38	0.05
Phosphoserine	ME1228528	0.15	NA	1.85	NA
Malonic acid	ME1228510	0.89	0.83	0.91	NA
Glucosamine 6-phosphate	ME1228493	1.17	NA	0.83	NA
UDP-glucuronic acid	ME1228535	1.17	NA	0.83	NA
ADP-glucose	ME1228467	1.26	NA	0.74	NA
Galacturonic acid	ME1228488	1.24	NA	0.78	NA
Methylmalonic acid	ME1228515	1.23	NA	0.77	NA
NADH	ME1228520	1.56	0.05	0.76	NA
3-Hydroxybenzaldehyde	ME1228462	1.38	NA	0.62	NA
4-Hydroxybenzaldehyde	ME1228465	1.38	NA	0.62	NA
GDP-mannose	ME1228491	1.86	NA	0.14	NA
dCMP	ME1228477	1.54	NA	0.46	NA
Fructose 6-phosphate	ME1228483	1.62	NA	0.38	NA
IMP	ME1228504	1.14	0.02	1.82	0.05
UTP	ME1228537	1.44	0.00	1.56	0.00
Phosphoenolpyruvic acid	ME1228527	0.59	NA	1.41	NA
3-Phosphoglyceric acid	ME1228464	0.61	NA	1.39	NA
CDP	ME1228471	0.63	NA	1.37	NA
GMP	ME1228500	0.63	NA	1.37	NA
CTP	ME1228476	1.04	0.00	1.30	NA
ATP	ME1228470	0.99	NA	1.01	NA
GDP	ME1228490	1.02	NA	0.98	NA
Phosphocreatine	ME1228526	1.01	NA	0.99	NA
N-Acetylserine	ME1228519	0.87	NA	1.13	NA
O-Acetylserine	ME1228523	0.88	NA	1.12	NA
CDP-Ethanolamine	ME1228472	0.94	NA	1.06	NA
dUMP	ME1228481	0.92	NA	1.08	NA
Diacetyl	ME1228479	1.80	0.31	0.92	0.97
Homovanillic acid	ME1228502	1.66	0.49	0.88	1.24
Hydroxyphenyllactic acid	ME1228503	1.58	0.46	0.85	1.39
Xanthosine	ME1228539	1.00	0.99	1.24	1.10
2^,3^ cyclic AMP	ME1228458	0.73	1.57	0.84	1.18
3^,5^ cyclic AMP	ME1228461	0.74	1.56	0.85	1.16
Cellobiose	ME1228473	0.93	0.85	1.86	0.35
Lactose	ME1228507	0.93	0.85	1.86	0.35
Galactitol	ME1228485	0.73	1.08	1.69	0.66
Mannitol	ME1228511	0.73	1.08	1.69	0.66
2-Oxoglutaric acid	ME1228460	1.49	0.44	1.81	0.55
Guanosine	ME1228501	1.77	0.83	1.34	0.35

Factors:

F1	Sample source:Male Homo sapien iPSCs derived neurons \| Genotype:FXS \| Sample type:Cultured cells
F2	Sample source:Male Homo sapien iPSCs derived neurons \| Genotype:FXS \| Sample type:Extracellular media
F3	Sample source:Male Homo sapien iPSCs derived neurons \| Genotype:TD \| Sample type:Cultured cells
F4	Sample source:Male Homo sapien iPSCs derived neurons \| Genotype:TD \| Sample type:Extracellular media

Data matrix