Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Identification of altered metabolic pathways in Alzheimer's disease, mild cognitive impairment and cognitively normals using Metabolomics (CSF) (Study ST000047)

MS negative ion mode/HILIC (Analysis AN000083)

Metabolite	Structure	F1	F2	F3
(22E,24E)-1alpha,25-dihydroxy-22,23,24,24a-tetradehydro-24a-homovitaminD3/(22E,24E)-1alpha,25-dih	ME651420	0.50	2.42	0.30
Mitotane	ME651652	0.51	0.45	1.90
Erythrono-1,4-lactone	ME651576	0.29	0.43	2.29
Lactaldehyde-1.8849502	ME651623	0.25	0.33	2.60
(22R)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epivitaminD3/(22R)-1alpha,22,2	ME651421	0.49	1.88	0.68
Acetoaceticacid	ME651496	0.55	1.38	0.49
alpha-ketoglutarate	ME651514	0.69	1.47	0.42
7-hydroxyTetranorIloprost	ME651492	0.54	1.67	0.78
MethoxsalenMetabolite	ME651644	0.51	1.48	0.82
PYROGALLIN	ME651694	0.59	1.49	0.88
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoicacid	ME651441	0.56	1.28	0.83
METHYL7-DESHYDROXYPYROGALLIN-4-CARBOXYLATE	ME651645	0.70	1.28	0.78
7E-decen-1-ol	ME651489	0.65	1.18	0.97
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione16,17-acetonide-1.9632031	ME651485	0.66	1.28	1.06
O-BENZYL-l-SERINE	ME651666	0.71	1.36	0.95
1-Hydroxy-2-naphthoicacid	ME651428	0.65	1.35	1.03
B-ureidoisobutyricacid	ME651525	0.66	1.36	0.98
Dihydrokaempferol	ME651561	0.63	1.13	1.30
SULBACTAM	ME651715	0.50	0.72	1.66
Iduronicacid	ME651600	0.70	0.65	1.48
2-Hydroxyethinylestradiol-1.1476005	ME651444	0.70	0.78	1.52
D-Glucoside	ME651555	0.69	0.76	1.65
3-DESMETHYL-5-DESHYDROXYSCLEROIN	ME651464	0.81	0.86	1.40
PenicillinG	ME651675	0.76	0.85	1.39
7-Ethoxycoumarin	ME651490	0.91	0.78	1.49
3-Methylsubericacid	ME651471	0.89	0.83	1.40
Loratadine	ME651634	0.97	0.80	1.34
Lacticacid	ME651627	1.01	0.72	1.26
Propanoicacid,2-hydroxy-3-[(4-hydroxy-1-naphthalenyl)oxy]-	ME651684	1.12	0.78	1.40
methyl8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	ME651646	1.33	0.96	0.60
5-Hydroxyindoleaceticacid-1.9673504	ME651482	1.42	0.92	0.65
Phenylsulfate	ME651679	1.48	0.84	0.68
COTARNINE	ME651538	1.42	1.01	0.92
Dehydroascorbicacid	ME651549	1.45	0.63	0.90
Succinicanhydride-3.020823	ME651714	1.38	0.85	0.82
Dehydroascorbicacid-2.9501877	ME651552	1.32	0.69	0.99
2-ISOPROPYL-3-METHOXYCINNAMICACID	ME651449	1.32	0.76	0.87
Dehydroascorbicacid-2.0140483	ME651551	1.28	0.79	0.96
Pyroglutamicacid	ME651695	0.81	1.12	1.07
ThrGly	ME651724	0.85	1.09	1.09
LysPhe	ME651641	0.84	1.10	1.06
Sedoheptulose-2.968789	ME651707	0.83	1.10	1.08
Pyrrole-2-carboxylicacid	ME651699	0.89	1.01	1.08
Uridine	ME651731	0.89	1.02	1.09
2,3-Dihydroxy-3-methylvalericacid	ME651430	0.89	1.06	1.07
Valine	ME651732	0.88	1.05	1.08
Acetoaceticacid-2.7565882	ME651497	0.87	1.04	1.09
griseorhodinA	ME651595	0.86	1.04	1.11
3-Amino-3-(4-hydroxyphenyl)propanoate	ME651461	0.84	1.00	1.15
2-BENZOYL-5-METHOXYBENZOQUINONE	ME651436	0.84	1.03	1.11
Creatine	ME651539	0.82	1.02	1.11
2,5-Dimethoxycinnamicacid	ME651433	0.76	1.17	1.06
Acetoin-1.7186093	ME651499	0.75	1.14	1.06
Oroticacid	ME651671	0.80	1.09	1.14
GENKWANIN	ME651585	0.77	1.13	1.16
Phosphatidylglycerol	ME651680	0.73	1.10	1.17
Terephthalicacid	ME651719	0.86	1.23	1.12
beta-Alanine-6.9398165	ME651523	0.83	1.18	0.99
myo-Inositol	ME651655	0.84	1.18	0.99
ClonidineMetabolite3	ME651535	0.83	1.17	0.97
Methylglyoxal-1.3239123	ME651648	0.82	1.15	0.97
Bilirubin	ME651524	0.84	1.17	1.02
CysCysTyr	ME651542	0.84	1.14	1.02
O-Desmethylnaproxen-3.1314578	ME651669	0.86	1.14	1.02
EUGENITOL	ME651579	0.90	1.13	1.01
Mono-N-depropylprobenecid	ME651653	0.87	1.13	0.99
AspGlu	ME651518	0.84	1.09	1.00
Mannitol	ME651642	0.86	1.11	1.03
Taurine	ME651718	0.87	1.11	1.02
Lorazepam	ME651635	0.85	1.24	0.93
Acetoin-1.7995661	ME651500	0.88	1.22	0.96
Allantoin-2.1088858	ME651512	0.86	1.23	0.97
Procarbazine-1.0827432	ME651683	0.87	1.20	0.91
GluSer	ME651588	0.92	1.19	0.92
2-Naphthaleneaceticacid,6-hydroxy--3.1083467	ME651452	0.90	1.18	0.91
TUBAICACID	ME651728	0.91	1.19	0.91
9(S)-HODE-d4	ME651493	0.88	1.14	0.93
L-Galactose	ME651633	0.86	1.18	0.97
5-Hydroxymethyluracil	ME651483	0.87	1.18	0.95
Lactate-5.7357388	ME651626	0.87	1.18	0.93
Benzaldehyde,p-amino-,thiosemicarbazone	ME651521	0.79	1.20	0.91
Oxazepam	ME651672	0.76	1.26	0.99
ArgCysCys	ME651516	0.77	1.20	0.99
Alfentanil	ME651510	0.79	1.23	0.99
O-Desmethylnaproxen-1.3967192	ME651668	0.80	1.23	0.96
2-Naphthaleneaceticacid,6-hydroxy--3.220013	ME651453	0.88	1.29	1.00
1,3-Glyceryldinitrate	ME651422	0.78	1.32	0.98
3-Hydroxyphenytoin	ME651470	0.83	1.31	0.96
LUPININE	ME651640	0.77	1.02	1.24
Isoacitretin	ME651610	0.80	0.96	1.24
Diacetyl-1.7367859	ME651557	0.83	0.97	1.20
Dihydroxyacetone(glycerone)	ME651563	0.82	0.97	1.18
Dihydroxyfumarate	ME651565	0.79	1.00	1.18
2-Hydroxyethinylestradiol	ME651443	0.80	0.99	1.21
Diacetyl-1.9789566	ME651558	0.80	0.99	1.20
ethylmalonicacid	ME651578	0.87	0.90	1.25
Triprolidine	ME651725	0.83	0.94	1.30
Adriamycinone	ME651504	1.03	0.80	1.12
a-hydroxybutyrate-1.537142	ME651506	0.98	0.86	1.16
L-DOPA	ME651629	1.00	0.85	1.14
Lorazepam-2.8229904	ME651637	1.02	0.84	1.15
D1-2-Hydroxymethylethisterone	ME651543	0.87	0.93	1.20
Methylglyoxal-2.3959143	ME651650	0.90	0.94	1.15
Glyoxylicacid	ME651594	0.88	0.94	1.16
PantothenicAcid	ME651674	0.89	0.95	1.16
desmethylnortriptylineglucuronide	ME651553	0.92	0.92	1.19
Isoacitretin-1.3034887	ME651613	0.92	0.92	1.17
Citraconicacid-1.722686	ME651530	0.96	0.88	1.16
Pyruvicacid	ME651702	0.94	0.89	1.15
7-Hydroxyoctanoicacid	ME651491	0.93	0.94	1.14
Pyrocatecholsulfate	ME651693	0.95	0.92	1.13
Acrylicacid-2.8973038	ME651503	0.99	1.20	0.90
DIBENZOTHIOPHENE	ME651560	0.98	1.13	0.88
O-Desmethylnaproxen	ME651667	0.98	1.14	0.88
Gemfibrozil	ME651584	1.01	1.15	0.84
(+)-Bornane-2,5-dione	ME651419	0.97	1.13	0.84
Embelin-0.9982194	ME651572	0.99	1.13	0.85
12-oxo-10Z-dodecenoicacid	ME651423	0.98	1.14	0.85
myo-Inositol-2.6662457	ME651656	0.99	1.14	0.85
AlaMetLys	ME651509	0.95	1.12	0.90
N,N-HEXAMETHYLENEAMILORIDE	ME651657	0.95	1.09	0.88
CEFTIBUTEN	ME651528	1.01	1.10	0.89
Veratricacid	ME651733	1.03	1.11	0.89
7-Aminonitrazepam	ME651488	0.97	1.10	0.92
Glutaral(Glutaraldehyde)	ME651591	0.95	1.09	0.93
Sulfaphenazole	ME651717	1.01	1.07	0.93
Clorazepate	ME651537	0.99	1.08	0.93
Naproxen	ME651661	0.99	1.08	0.93
KINETIN	ME651619	0.99	1.08	0.91
Zalcitabinemonophosphate	ME651737	0.98	1.08	0.90
3-dodecynoicacid	ME651465	0.99	1.10	0.91
L-Fucose1-phosphate	ME651632	1.00	1.09	0.92
2-Propylglutaricacid	ME651455	0.91	1.05	1.04
DL-erythronicacid	ME651566	0.93	1.05	1.02
Pyrazinoicacid	ME651691	0.89	1.08	1.04
O-Desmethylquinidine	ME651670	0.92	1.09	1.03
Lorazepam-2.4245577	ME651636	0.91	1.08	1.01
AspThr	ME651519	0.90	1.07	1.03
N-Acetylgalactosamine4-sulphate	ME651659	0.91	1.07	1.02
Catalpol	ME651527	0.89	1.06	0.94
Pyrophosphate-6.828654	ME651698	0.90	1.06	0.95
AspAsp	ME651517	0.93	1.08	0.99
Lactaldehyde	ME651622	0.93	1.09	0.98
Imidazolone-0.8470633	ME651602	0.92	1.10	1.00
MERBROMIN	ME651643	0.91	1.09	0.99
Thioguanine	ME651722	0.91	1.09	0.95
a-hydroxybutyrate	ME651505	0.92	1.11	0.96
Purine-1.0687234	ME651689	0.94	1.10	0.95
Inosine	ME651609	1.02	1.05	0.93
Xanthosine	ME651736	1.03	1.06	0.91
Embelin-1.9750104	ME651575	1.04	1.00	0.97
2-Amino-4-chloro-6-methylpyrimidine	ME651435	1.04	1.01	0.94
Embelin-1.1001831	ME651573	1.02	1.02	0.96
Imidazolone-1.9679021	ME651605	1.03	1.03	0.94
1alpha,25-dihydroxy-24-oxovitaminD_3/1alpha,25-dihydroxy-24-oxocholecalciferol	ME651426	1.02	1.03	0.95
Embelin	ME651570	1.03	1.03	0.95
Pyrophosphate-4.160074	ME651697	1.03	1.03	0.95
Leucine	ME651631	0.93	1.02	1.05
Purine-1.994147	ME651690	0.95	1.02	1.03
Ribothymidine	ME651705	0.96	1.02	1.02
1beta,25-dihydroxy-3-deoxy-3-thiavitaminD3/1beta,25-dihydroxy-3-deoxy-3-thiacholecalciferol	ME651427	0.97	1.02	1.01
2-Heptenedioicacid,4-oxo-	ME651440	0.96	1.03	1.01
a-hydroxyisovalerate	ME651507	0.99	1.01	1.01
Acetoin	ME651498	1.00	1.00	1.01
Xanthine	ME651735	1.00	1.00	1.00
alpha-hydroxyisobutyrate	ME651513	1.00	1.03	0.97
D-Glucose	ME651554	1.00	1.02	0.97
SerLysMet	ME651708	0.98	1.02	1.00
Dodecanedioicacid	ME651568	0.99	1.03	0.98
3-Hydroxy-2-methyl-[R-(R,S)]-butanoicacid	ME651468	0.99	1.02	0.98
3D,7D,11D-Phytanicacid	ME651462	0.99	1.02	0.99
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine	ME651663	0.99	1.02	0.99
Uricacid	ME651729	0.96	1.08	0.96
Lactate-5.6089334	ME651625	0.96	1.07	0.97
Purine	ME651688	0.95	1.08	0.97
Pyrrole-2-carboxylicacid-1.9725019	ME651700	0.96	1.06	0.98
Stearicacid	ME651709	0.96	1.05	0.98
2-Hydroxyethanesulfonate	ME651442	0.96	1.05	0.99
2-propyl-tridecanoicacid	ME651456	0.96	1.05	0.99
GlnTrpGln	ME651586	0.98	1.04	0.98
HisCys	ME651597	0.97	1.03	0.99
3-(a-Naphthoxy)lacticacid	ME651458	0.97	1.04	0.99
Phenylalanine	ME651678	0.97	1.04	0.99
6-Hydroxynicotinicacid	ME651486	0.99	1.05	0.95
Lactate	ME651624	1.00	1.05	0.95
2-Naphthaleneaceticacid,6-hydroxy-	ME651451	0.98	1.06	0.96
Sedoheptulose	ME651706	0.97	1.05	0.97
13-ethyl-2,17-dihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one	ME651424	1.02	0.95	1.05
GluTyrThr	ME651592	0.99	0.96	1.06
Imidazolone	ME651601	0.99	0.95	1.06
Pyrophosphate	ME651696	1.00	0.94	1.06
Zearalenone	ME651738	1.00	0.95	1.05
Glutamicacidg-semialdehyde	ME651590	1.00	0.95	1.05
Isoacitretin-1.1998972	ME651612	1.00	0.95	1.05
beta-Alanine	ME651522	1.01	0.94	1.05
Embelin-1.2925849	ME651574	1.00	0.94	1.05
4-amino-4-cyano-butanoicacid	ME651474	1.02	0.94	1.02
Tryptophan	ME651727	1.02	0.95	1.02
Imidazolone-1.1732987	ME651604	1.01	0.96	1.03
Oxipurinol	ME651673	1.01	0.97	1.02
1-Methylguanine	ME651429	1.02	0.97	1.01
Hypoxanthine	ME651599	1.02	0.96	1.02
7-Acetamidonitrazepam	ME651487	0.98	0.99	1.04
2-Hydroxyethinylestradiol-1.305595	ME651445	0.99	0.97	1.04
KOBUSONE-1.0965811	ME651621	0.99	0.97	1.04
Uricacid-2.925639	ME651730	0.99	0.98	1.02
D-Leucicacid	ME651567	0.99	0.98	1.03
Imidazolone-1.0847108	ME651603	0.99	0.98	1.03
MetMetTrp	ME651651	1.00	0.99	1.02
Sulfadoxinesuflate	ME651716	1.00	0.98	1.02
Isobutyrylglycinemethylester	ME651617	0.96	0.93	1.11
Isoleucine	ME651618	0.96	0.94	1.10
Nicorandil	ME651665	0.97	0.94	1.10
Veratricacid-3.0931485	ME651734	0.97	0.96	1.08
N-Acetyl-5-hydroxysulfapyridine	ME651658	0.99	0.94	1.10
Losartan	ME651639	0.99	0.93	1.08
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione16,17-acetonide	ME651484	0.97	0.94	1.08
clavuloneI	ME651533	0.98	0.94	1.08
2-Oxo-4-methylthiobutanoicacid	ME651454	0.96	0.98	1.07
FUMARPROTOCETRARICACID	ME651582	0.95	0.98	1.06
Carboxyltolmetin	ME651526	0.95	1.00	1.09
Dihydrolipoamide	ME651562	0.94	0.98	1.09
5-Hydroxyindol-2-carboxylicacid	ME651480	0.91	0.97	1.12
clavuloneIII	ME651534	0.94	0.96	1.10
9-hydroxy-5Z-nonenoicacid	ME651494	1.01	0.91	1.09
D1-2-Hydroxymethylethisterone-1.2925578	ME651545	1.01	0.91	1.07
2-Hydroxyethinylestradiol-2.8964827	ME651448	1.02	0.92	1.06
4-hydroxypelargonicacid	ME651475	1.02	0.92	1.07
pentanamide	ME651676	1.03	0.91	1.06
Isoacitretin-2.0889266	ME651615	1.04	0.90	1.07
2-Methoxy-estradiol-17beta3-glucuronide	ME651450	1.03	0.89	1.07
Propionylglycinemethylester	ME651685	1.03	0.90	1.07
2,3-Dioxogulonicacid	ME651431	1.05	0.86	1.07
D1-2-Hydroxymethylethisterone-2.0888731	ME651547	1.04	0.88	1.08
Naltrexone-3-glucuronide	ME651660	1.03	0.87	1.05
2-Hydroxyethinylestradiol-2.0906997	ME651447	1.05	0.89	1.06
ProTyrTrp	ME651686	1.05	0.89	1.05
Allantoin	ME651511	1.02	0.87	1.10
TrpTyrGlu	ME651726	1.01	0.86	1.10
5-Hydroxyindoleaceticacid	ME651481	0.98	0.91	1.10
2H-1-Benzopyran-6-aceticacid,7-hydroxy-8-methoxy-2-oxo-	ME651439	0.98	0.89	1.09
(+)-6-methylcaprylicacid	ME651418	0.99	0.88	1.10
14-pentadecynoicacid	ME651425	1.09	0.92	1.07
D1-2-Hydroxymethylethisterone-1.0877049	ME651544	1.09	0.89	1.03
Lecanoricacid	ME651630	1.10	0.86	1.04
n-HexanoicAcid	ME651664	1.12	0.89	0.99
3-Furoicacid	ME651467	1.11	0.91	0.97
Acrylicacid	ME651502	1.11	0.91	0.97
Ellagicacid	ME651569	1.08	0.93	0.99
Acipimox	ME651501	1.09	0.94	0.97
PheArgSer	ME651677	1.10	0.93	0.97
Pseudouridine	ME651687	1.10	0.94	0.97
Glucosylgalactosylhydroxylysine	ME651587	1.08	0.93	0.94
3alpha-HYDROXY-3-DEOXYANGOLENSICACIDMETHYLESTER	ME651460	1.06	0.94	0.97
Tetracaine	ME651721	1.07	0.93	0.96
3,4,5-Trihydroxystilbene	ME651459	1.05	0.97	0.96
dihydroxyacetonephosphate(DHAP)	ME651564	1.05	0.97	0.98
2,4-DINITROPHENOL	ME651432	1.03	0.96	1.00
Isoacitretin-1.9727861	ME651614	1.04	0.96	1.00
D1-2-Hydroxymethylethisterone-1.9729636	ME651546	1.05	0.96	0.99
2-Hydroxyethinylestradiol-1.9728087	ME651446	1.05	0.95	1.00
Creatinine	ME651540	1.06	0.95	0.99
Methylglyoxal-1.6264697	ME651649	1.05	0.88	1.02
Isoacitretin-2.8948605	ME651616	1.07	0.92	1.01
5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl-Pentanoicacid(GemfibrozilM4)	ME651478	1.05	0.92	1.02
D1-2-Hydroxymethylethisterone-2.898744	ME651548	1.06	0.93	1.01
Glutaconicacid	ME651589	1.05	0.94	1.01
ClonidineMetabolite3-3.0479238	ME651536	1.07	0.91	1.03
Fosfomycin	ME651580	1.07	0.92	1.05
aminohippuricacid	ME651515	1.08	1.02	0.91
Imidazolone-5.7556376	ME651607	1.11	1.04	0.88
2^-Deoxyuridine5^-diphosphate(dUDP)	ME651437	1.17	0.97	0.96
gamma-Hydroxyphenylbutazoneglucuronide	ME651583	1.14	0.93	0.92
Pyrrole-2-carboxylicacid-2.172489	ME651701	1.13	0.95	0.91
Dehydroascorbicacid-1.13851	ME651550	1.12	0.96	0.92
Imidazolone-5.591784	ME651606	1.13	0.95	0.93
Glycolate	ME651593	1.09	0.95	0.92
Lauricacid	ME651628	1.08	0.98	0.92
3-oxo-dodecanoicacid	ME651472	1.09	1.00	0.96
5,6-Dihydrouridine	ME651477	1.08	0.97	0.95
5-Acetyl-4-methylthiazole	ME651479	1.09	0.97	0.95
ETHOPROPAZINE	ME651577	1.10	0.73	1.07
Benazeprilat	ME651520	1.21	0.79	1.05
Diacetyl	ME651556	1.15	0.78	1.07
Succinicanhydride-1.1389956	ME651712	1.14	0.98	0.89
Stearicacid-1.975433	ME651710	1.17	0.97	0.86
2-propyl-tridecanoicacid-1.9754443	ME651457	1.17	0.98	0.85
4,8-dimethyl-dodecanoicacid	ME651473	1.17	0.98	0.86
Indoxylsulfuricacid	ME651608	1.21	0.94	0.83
Pyruvicacid-2.0019042	ME651703	1.21	0.94	0.85
Succinicanhydride-1.6393243	ME651713	1.23	0.90	0.87
20-ethyl-PGE2	ME651434	1.19	0.92	0.89
HisLeuLys	ME651598	1.20	0.91	0.89
Pyruvicacid-3.3105016	ME651704	1.11	0.85	0.94
Citraconicacid	ME651529	1.19	0.86	0.94
Isoacitretin-1.116818	ME651611	1.21	0.87	0.95
Citraconicacid-2.040095	ME651531	1.18	0.84	0.97
threo-Isocitricacid	ME651723	1.20	0.82	0.99
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoicacid(GemfibrozilM1)	ME651476	1.03	1.41	0.56
m-Salicylicacid	ME651654	1.14	1.36	0.65
2-Furoylglycine	ME651438	0.88	1.30	0.59
Fumaricacid	ME651581	0.91	1.47	0.61
Methylglyoxal	ME651647	0.87	1.47	0.66
Succinicanhydride	ME651711	1.11	1.21	0.69
9-lauroleicacid	ME651495	1.16	1.12	0.71
Lorazepam-2.8873434	ME651638	1.10	1.14	0.70
3-Hydroxydodecanedioicacid	ME651469	1.05	1.06	0.80
a-hydroxyisovalerate-2.912282	ME651508	1.12	1.06	0.81
Naproxen-3.0620813	ME651662	1.16	1.04	0.81
Gualenate(SodiumGualenate)	ME651596	0.84	1.34	0.77
Pyrimethamine	ME651692	0.80	1.31	0.90
CITROPTEN	ME651532	0.83	1.31	0.86
Pirenzepine	ME651681	0.85	1.31	0.84
Procarbazine	ME651682	1.03	1.29	0.67
Crotonicacid	ME651541	1.04	1.19	0.73
Testosteronesulfate	ME651720	1.01	1.25	0.73
Diacetyl-2.955511	ME651559	0.96	1.31	0.76
Embelin-0.8153355	ME651571	0.92	1.28	0.79
KOBUSONE	ME651620	0.94	1.21	0.81
3-Dehydroquinicacid	ME651463	0.98	1.17	0.78
3E,5E-tridecadienoicacid	ME651466	1.01	1.19	0.80

Factors:

F1	Cognitive Status:AD
F2	Cognitive Status:CN
F3	Cognitive Status:MCI

Data matrix