Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004399)

HILIC NEGATIVE ION MODE (Analysis AN007354)

Metabolite	Structure	F1	F2
4,5-Dihydroorotic acid	ME1227377	1.30	0.70
Uracil	ME1227493	1.30	0.70
GMP	ME1227430	1.31	0.69
Homovanillic acid	ME1227433	1.31	0.69
NADH	ME1227459	1.29	0.71
N-Formylmethionine	ME1227460	1.29	0.71
2-Hydroxybutyric acid	ME1227366	1.27	0.73
CDP	ME1227391	1.28	0.72
Phosphocreatine	ME1227469	1.40	0.60
UDP-N-acetylglucosamine	ME1227491	1.40	0.60
Citraconic acid	ME1227394	1.41	0.59
Fumaric acid	ME1227414	1.41	0.59
Maleic acid	ME1227440	1.42	0.58
UTP	ME1227497	1.42	0.58
ATP	ME1227389	1.37	0.63
Phenylacetaldehyde	ME1227468	1.37	0.63
Mannose	ME1227445	1.38	0.62
Diacetyl	ME1227405	1.38	0.62
GDP	ME1227421	1.38	0.62
Gluconic acid	ME1227423	1.33	0.67
3-Methyl-2-oxovaleric acid	ME1227374	1.36	0.64
sn-Glycero-3-phosphate	ME1227477	1.36	0.64
Thiamine diphosphate	ME1227484	1.35	0.65
Phosphoenolpyruvic acid	ME1227470	1.35	0.65
IMP	ME1227435	1.35	0.65
6-Phosphogluconic acid	ME1227380	1.35	0.65
ADP	ME1227381	1.35	0.65
Fructose 1,6-bisphosphate	ME1227412	1.19	0.72
UDP	ME1227487	1.19	0.81
O-Acetylserine	ME1227463	1.19	0.81
AMP	ME1227386	1.19	0.81
N-Acetylserine	ME1227458	1.19	0.81
Myo-inositol	ME1227452	1.18	0.82
Uric acid	ME1227495	1.18	0.82
UDP-galactose	ME1227488	1.16	0.84
CMP	ME1227397	1.17	0.83
Folic acid	ME1227411	1.17	0.83
Methylacetoacetic acid	ME1227450	1.24	0.76
UMP	ME1227492	1.25	0.75
Isocitric acid	ME1227436	1.25	0.75
Malonic acid	ME1227442	1.25	0.75
Xanthosine	ME1227499	1.23	0.77
Xylitol	ME1227501	1.23	0.77
Pyruvic acid	ME1227473	1.22	0.78
Itaconic acid	ME1227437	1.22	0.78
3-Sulfino-alanine	ME1227376	1.22	0.78
ADP-ribose	ME1227383	1.22	0.78
Pyroglutamic acid	ME1227472	1.21	0.79
Citric acid	ME1227396	1.21	0.79
Galactose 1-phosphate	ME1227418	1.21	0.79
UDP-glucose	ME1227489	1.10	0.90
Tartaric acid	ME1227483	1.10	0.90
dCMP	ME1227402	1.10	0.90
Gulose	ME1227432	1.10	0.90
Xylose	ME1227502	1.09	0.91
UDP-glucuronic acid	ME1227490	1.09	0.91
Dihydroxyacetone phosphate	ME1227406	1.09	0.91
Mannose 6-phosphate	ME1227446	1.09	0.91
CDP-Ethanolamine	ME1227392	1.15	0.85
Hydroxyphenyllactic acid	ME1227434	1.15	0.85
Galactitol	ME1227416	1.14	0.86
Galactose	ME1227417	1.14	0.86
N-Acetylglutamic acid	ME1227456	1.11	0.89
3-Hydroxymethylglutaric acid	ME1227373	1.13	0.87
Methylmalonic acid	ME1227451	1.12	0.88
3E-Methylglutaconic acid	ME1227371	1.02	0.98
3-Phosphoglyceric acid	ME1227375	1.02	0.98
4-Hydroxybenzaldehyde	ME1227378	1.01	0.99
Mannitol	ME1227444	1.01	0.99
Malic acid	ME1227441	1.00	1.00
Sorbitol	ME1227478	0.99	1.01
Meso-tartaric acid	ME1227448	1.07	0.93
2^,3^ cyclic AMP	ME1227365	1.06	0.94
3^,5^ cyclic AMP	ME1227370	1.06	0.94
D-Tagatose	ME1227407	1.03	0.97
2-Phosphoglyceric acid	ME1227369	1.05	0.95
5-Methylcytidine	ME1227379	1.04	0.96
Allantoin	ME1227385	1.65	0.35
Arabitol	ME1227387	1.64	0.36
dCDP	ME1227401	1.64	0.36
Thymidine	ME1227485	1.60	0.40
XMP	ME1227500	1.60	0.40
dATP	ME1227400	1.61	0.39
Guanosine	ME1227431	1.62	0.38
Lactic acid	ME1227438	1.62	0.38
dTDP-glucose	ME1227408	1.71	0.29
Glucosamine 6-phosphate	ME1227424	1.67	0.33
N-Acetylalanine	ME1227453	1.68	0.32
Orotic acid	ME1227464	1.68	0.32
Cysteine	ME1227399	1.47	0.53
Glyceric acid	ME1227428	1.47	0.53
Valeric acid	ME1227498	1.49	0.51
N-Acetylmethionine	ME1227457	1.51	0.49
Butyric acid	ME1227390	1.50	0.50
Lactose	ME1227439	1.50	0.50
Stachyose	ME1227480	1.58	0.52
Deoxycytidine	ME1227403	1.53	0.47
Galactaric acid	ME1227415	1.54	0.46
Raffinose	ME1227474	1.56	0.44
ADP-glucose	ME1227382	1.57	0.43
Glyoxylic acid	ME1227429	1.57	0.43
CTP	ME1227398	1.89	0.11
Deoxyguanosine	ME1227404	1.77	0.23
N-Acetylcysteine	ME1227455	1.82	0.32
3-Hydroxybenzaldehyde	ME1227372	0.41	1.59
sn-Glycero-2-phosphate	ME1227476	0.29	1.71
10-Hydroxydecanoic acid	ME1227364	0.85	1.15
Cellobiose	ME1227393	0.84	1.16
Succinic acid	ME1227481	0.86	1.14
Ureidopropionic acid	ME1227494	0.87	1.13
Galacturonic acid	ME1227419	0.80	1.20
Uridine	ME1227496	0.79	1.21
Glucuronic acid	ME1227426	0.83	1.17
N-Acetylaspartic acid	ME1227454	0.81	1.19
dTMP	ME1227409	0.82	1.18
Ethylmalonic acid	ME1227410	0.82	1.18
Ribose 5-phosphate	ME1227475	0.95	1.05
Oxaloacetic acid	ME1227466	0.96	1.04
2-Methylcitric acid	ME1227367	0.96	1.04
N-Methyl-D-aspartic acid	ME1227461	0.96	1.04
2-Oxoglutaric acid	ME1227368	0.97	1.03
gamma-Aminobutyric acid	ME1227420	0.97	1.03
Glutamic acid	ME1227427	0.89	1.11
Palatinose	ME1227467	0.91	1.09
Fructose 6-phosphate	ME1227413	0.92	1.08
N-Methyl-glutamic acid	ME1227462	0.92	1.08
GDP-mannose	ME1227422	0.93	1.07
Psicose	ME1227471	0.93	1.07
Oxalic acid	ME1227465	0.61	1.39
Aspartic acid	ME1227388	0.63	1.37
Trehalose	ME1227486	0.62	1.38
Maltose	ME1227443	0.57	1.43
Mesoxalic acid	ME1227449	0.55	1.45
Sucrose	ME1227482	0.54	1.46
AICAR-P	ME1227384	0.67	1.17
Melibiose	ME1227447	0.74	1.26
Glucose	ME1227425	0.67	1.33
Citramalic acid	ME1227395	0.70	1.30
Sorbose	ME1227479	0.70	1.30

Factors:

F1	Sample source:Male Homo sapien CRISPR rescue NPC \| Genotype:FXS
F2	Sample source:Male Homo sapien CRISPR rescue NPC \| Genotype:TD

Data matrix