Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomics Analysis of Frontal Fibrosing Alopecia (Study ST000093)

LC/MS negative ion mode (Analysis AN000149)

Metabolite	Structure	F1	F2	F3
VGAHAGEYGAEALER*	ME658143	0.90	0.47	2.24
adenosine 3^,5^-cyclic monophosphate (cAMP)	ME658073	0.86	0.79	1.71
pregnen-diol disulfate*	ME658131	0.79	0.77	1.87
docosapentaenoate (n6 DPA; 22:5n6)	ME658090	0.97	0.76	1.54
nicotinamide adenine dinucleotide reduced (NADH)	ME658117	0.83	1.02	1.30
4-androsten-3beta,17beta-diol disulfate 1*	ME658066	0.96	0.86	1.35
6-phosphogluconate	ME658070	0.90	0.91	1.38
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	ME658061	1.34	1.05	0.22
caprate (10:0)	ME658079	1.22	1.11	0.34
2-hydroxyhippurate (salicylurate)	ME658053	1.18	1.19	0.25
pelargonate (9:0)	ME658126	1.25	1.12	0.25
caprylate (8:0)	ME658081	1.26	1.13	0.22
pyridoxate	ME658133	1.27	1.13	0.20
2-ethylhexanoate (isobar with 2-propylpentanoate)	ME658051	1.26	1.03	0.43
heptanoate (7:0)	ME658097	1.19	1.04	0.53
caproate (6:0)	ME658080	1.22	1.03	0.50
myristoleate (14:1n5)	ME658112	1.22	1.03	0.50
laurate (12:0)	ME658105	1.15	1.10	0.49
phenol sulfate	ME658127	1.16	1.13	0.42
2,3-diphosphoglycerate	ME658049	1.07	1.17	0.53
undecanoate (11:0)	ME658139	1.09	1.19	0.44
docosatrienoate (22:3n3)	ME658091	1.27	0.61	1.24
1-stearoylglycerophosphoethanolamine	ME658047	1.26	0.79	0.92
dihomo-linolenate (20:3n3 or n6)	ME658086	1.24	0.79	0.94
1-oleoylglycerophosphoethanolamine	ME658043	1.19	0.86	0.91
2-palmitoylglycerophosphoethanolamine*	ME658059	1.20	0.88	0.84
1-palmitoylglycerophosphoethanolamine	ME658044	1.17	0.90	0.85
linolenate [alpha or gamma; (18:3n3 or 6)]	ME658108	1.15	0.92	0.87
docosapentaenoate (n3 DPA; 22:5n3)	ME658089	1.21	0.92	0.73
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	ME658071	1.23	0.94	0.67
docosahexaenoate (DHA; 22:6n3)	ME658088	1.24	0.92	0.68
catechol sulfate	ME658082	1.07	1.10	0.66
2-hydroxyacetaminophen sulfate*	ME658052	1.05	1.05	0.79
eicosapentaenoate (EPA; 20:5n3)	ME658092	1.07	1.02	0.82
4-acetaminophen sulfate	ME658065	1.07	1.07	0.73
myristate (14:0)	ME658111	1.06	1.07	0.73
flavin adenine dinucleotide (FAD)	ME658094	1.08	1.05	0.74
palmitoleate (16:1n7)	ME658123	1.09	1.04	0.74
1-palmitoylglycerophosphoinositol*	ME658045	1.12	1.00	0.77
1-stearoylglycerophosphoinositol	ME658048	1.11	1.02	0.73
15-methylpalmitate (isobar with 2-methylpalmitate)	ME658038	0.97	1.12	0.84
adenosine 5^diphosphoribose	ME658074	0.98	1.08	0.88
3-methyl-2-oxovalerate	ME658064	0.92	1.16	0.84
4-methyl-2-oxopentanoate	ME658067	0.92	1.18	0.81
N-acetylalanine	ME658114	0.89	1.16	0.90
oleic ethanolamide	ME658120	0.92	1.13	0.89
1-palmitoylplasmenylethanolamine*	ME658046	1.06	0.90	1.09
docosadienoate (22:2n6)	ME658087	1.06	0.89	1.10
adrenate (22:4n6)	ME658075	1.10	0.84	1.13
inosine	ME658103	1.08	0.85	1.14
dihomo-linoleate (20:2n6)	ME658085	1.18	0.78	1.08
10-nonadecenoate (19:1n9)	ME658037	1.14	0.85	1.03
arachidonate (20:4n6)	ME658077	1.15	0.83	1.03
eicosenoate (20:1n9 or 11)	ME658093	1.15	0.84	1.03
margarate (17:0)	ME658109	1.02	1.01	0.94
ricinoleic acid	ME658135	1.00	1.00	1.00
p-acetamidophenylglucuronide	ME658121	1.00	1.00	1.00
hydroxypioglitazone*	ME658100	1.00	1.00	1.00
2-hydroxypalmitate	ME658054	1.00	1.00	1.00
bisphenol A monosulfate	ME658078	1.00	1.00	1.00
2-methoxyacetaminophen sulfate*	ME658057	1.01	0.99	0.99
5alpha-pregnan-3beta,20alpha-diol disulfate	ME658068	1.02	0.99	0.99
5-oxoproline	ME658069	1.02	1.00	0.97
ibuprofen	ME658102	1.03	0.98	0.98
N-acetylthreonine	ME658116	0.90	1.10	1.00
2-hydroxystearate	ME658055	0.96	1.02	1.03
phenylacetylglutamine	ME658128	0.97	1.01	1.05
nonadecanoate (19:0)	ME658118	0.95	1.05	1.00
17-methylstearate	ME658039	0.92	1.07	1.03
Isobar: fructose 1,6-diphosphate, glucose 1,6-diphosphate, myo-inositol 1,4 or 1,3-diphosphate	ME658104	0.93	1.05	1.04
N-acetylmethionine	ME658115	0.94	1.05	1.02
1-linoleoylglycerophosphoethanolamine*	ME658042	1.08	0.98	0.89
p-cresol sulfate	ME658125	1.07	0.99	0.88
3-indoxyl sulfate	ME658062	1.06	1.01	0.87
taurochenodeoxycholate	ME658137	1.06	1.01	0.85
palmitate (16:0)	ME658122	1.03	1.02	0.91
phosphoethanolamine	ME658130	1.04	1.01	0.89
glycocholate	ME658095	1.04	1.03	0.87
3-(4-hydroxyphenyl)lactate	ME658060	1.02	1.04	0.88
3-methyl-2-oxobutyrate	ME658063	1.01	1.05	0.88
1-arachidonoylglycerophosphoethanolamine*	ME658040	1.11	0.95	0.87
taurodeoxycholate	ME658138	1.08	0.97	0.91
10-heptadecenoate (17:1n7)	ME658036	1.07	0.97	0.93
linoleate (18:2n6)	ME658107	1.08	0.95	0.93
oleate (18:1n9)	ME658119	1.08	0.96	0.93
N-(2-furoyl)glycine	ME658113	1.06	0.99	0.91
uridine monophosphate (5^ or 3^)	ME658142	1.05	0.98	0.93
guanosine	ME658096	1.02	0.95	1.06
hypoxanthine	ME658101	1.04	0.94	1.04
2-oleoylglycerophosphoethanolamine*	ME658058	1.08	0.91	1.03
deoxycholate	ME658084	1.06	0.93	1.01
1-arachidonoylglycerophosphoinositol*	ME658041	1.11	0.91	0.96
linoelaidate (tr 18:2n6)	ME658106	1.09	0.93	0.95
pyroglutamylvaline	ME658134	1.10	0.93	0.95
histidine	ME658099	1.08	0.93	0.98
phenyllactate (PLA)	ME658129	1.07	0.95	0.96
mead acid (20:3n9)	ME658110	1.11	0.89	1.00
palmitoyl ethanolamide	ME658124	1.13	0.89	0.96
adenosine 2^-monophosphate (2^-AMP)	ME658072	0.84	1.11	1.11
pseudouridine	ME658132	0.90	1.06	1.09
2-arachidonoylglycerophosphoethanolamine*	ME658050	1.00	0.91	1.19
urate	ME658140	0.92	1.00	1.15
S-adenosylhomocysteine (SAH)	ME658136	0.95	0.98	1.13
2-linoleoylglycerophosphoethanolamine*	ME658056	0.97	0.96	1.13
uridine	ME658141	0.97	0.97	1.12
hippurate	ME658098	0.98	0.98	1.09
androsterone sulfate	ME658076	0.99	0.95	1.11
dehydroisoandrosterone sulfate (DHEA-S)	ME658083	0.99	0.96	1.11

Factors:

F1	condition:FFA affected \| location:frontal scalp
F2	condition:FFA unaffected \| location:occipital scalp
F3	condition:Scalp biopsy normal \| location:NA

Data matrix