Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolite-phenotype link in X-linked Adrenoleukodystrophy (part II) (Study ST000742)

Reversed phase POSITIVE ION MODE (Analysis AN001158)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8
CYSTINE (M+NA)+	ME205625	0.25	0.51	0.53	0.88	1.90	2.88	2.00	NA
GLUTATHIONE OXIDIZED (M+H)+	ME205633	0.37	0.31	0.46	0.51	3.40	2.47	2.56	NA
3-METHYLHISTAMINE (M+H)+	ME205604	0.12	0.34	2.80	1.57	1.01	2.12	1.07	NA
SPERMIDINE (M+H)+	ME205665	2.63	0.99	0.43	0.37	0.89	0.48	0.44	NA
BILIVERDIN (M+H)+	ME205615	NA	0.85	1.94	1.00	0.18	0.17	0.22	NA
HEXANOYLCARNITINE (*) M+	ME205637	0.04	0.77	2.09	1.83	0.04	0.05	0.07	NA
BUTYRYLCARNITINE (*) (M+H)+	ME205616	0.06	0.90	2.89	1.63	0.10	0.12	0.16	NA
HISTAMINE (M+H)+	ME205638	0.10	0.25	2.55	1.57	0.05	0.16	0.16	NA
1-OLEOYL-RAC-GLYCEROL (M+H)+[-H2O]	ME205598	1.25	1.85	0.85	0.60	0.57	0.52	0.72	NA
RAC-GLYCEROL 1-MYRISTATE (M+NA)+	ME205660	0.89	2.46	1.01	0.84	0.38	0.51	0.42	NA
16:0-18:0 PC (M+NA)+	ME205601	0.98	1.04	0.78	1.30	NA	0.34	0.40	NA
CYSTINE (M+H)+	ME205624	1.23	0.65	0.75	1.38	0.13	NA	NA	NA
GUANINE (M+H)+	ME205634	1.12	0.47	1.44	1.34	0.13	0.13	0.08	NA
HYPOXANTHINE (M+H)+	ME205639	1.35	0.98	1.35	1.17	0.28	0.39	0.37	NA
ACETAMINOPHEN (TN TYLENOL) (M+NA)+	ME205608	0.11	1.24	0.97	1.12	NA	NA	NA	NA
1-METHYLXANTHINE (M+H)+	ME205596	0.58	0.88	1.37	1.21	NA	0.34	NA	NA
3-AMINOISOBUTANOATE (M+H)+[-H2O]	ME205603	0.67	1.00	1.15	1.17	NA	NA	NA	NA
4-ACETAMIDOBUTANOATE (M+NA)+	ME205605	0.59	1.01	1.10	1.27	NA	NA	NA	NA
LEUCINE (M+NA)+	ME205645	0.58	1.02	1.09	1.35	NA	0.06	NA	NA
CITRULLINE (M+H)+	ME205621	0.93	1.39	1.06	1.77	0.06	0.03	0.10	NA
CHOLINE PHOSPHATE (M+NA)+	ME205620	0.85	1.43	1.40	1.30	0.34	0.31	0.46	NA
GLUCOSE (M+NA)+	ME205631	0.92	1.45	1.26	1.32	0.28	0.23	0.24	NA
N-ACETYL-DL-METHIONINE (M+H)+	ME205648	0.92	1.41	1.26	1.42	0.15	0.14	0.15	NA
N-ACETYL-DL-METHIONINE (M+NA)+	ME205649	0.91	1.46	1.27	1.41	0.12	0.13	0.12	NA
RIBOFLAVIN (M+H)+	ME205661	0.56	0.80	1.94	1.28	0.46	0.62	0.52	NA
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+	ME205662	0.71	0.98	1.63	1.22	0.50	0.82	0.57	NA
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+[-H2O]	ME205630	0.58	0.89	1.63	1.12	0.50	0.46	NA	NA
VALINE (M+H)+	ME205673	0.97	1.00	1.32	1.52	0.27	0.37	0.26	NA
ISOLEUCINE (M+H)+	ME205641	0.90	1.10	1.42	1.34	0.30	0.46	0.37	NA
METHIONINE (M+H)+	ME205647	0.84	1.03	1.38	1.48	0.36	0.42	0.34	NA
5-AMINOPENTANOATE (M+H)+	ME205606	0.79	1.13	1.48	1.55	0.19	0.25	0.14	NA
TYROSINE (M+H)+	ME205671	0.76	0.98	1.50	1.57	0.23	0.40	0.26	NA
LYSINE (M+H)+	ME205646	0.81	1.01	1.38	1.34	0.50	0.62	0.39	NA
TRYPTOPHAN (M+NA)+	ME205670	0.75	0.92	1.69	1.35	0.42	0.43	0.40	NA
L-ARGININE (M+H)+	ME205642	0.63	1.12	1.71	1.45	0.20	0.20	0.15	NA
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+	ME205664	0.42	0.99	1.61	1.71	0.29	0.35	0.37	NA
CYSTATHIONINE (M+H)+	ME205623	1.69	0.43	0.34	0.99	NA	NA	NA	NA
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+	ME205629	1.79	0.92	0.99	0.96	0.10	0.08	0.06	NA
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+	ME205614	1.45	1.46	0.66	0.89	0.32	0.35	0.33	NA
CITRULLINE (M+NA)+	ME205622	1.61	1.34	0.56	1.30	0.34	0.25	0.19	NA
N-ACETYL-DL-SERINE (M+H)+[-H2O]	ME205650	0.67	0.79	0.50	1.79	0.54	1.51	1.31	NA
1-OLEOYL-RAC-GLYCEROL (M+NA)+	ME205599	1.06	1.38	0.63	0.50	0.87	1.58	1.74	NA
INOSINE (M+NA)+	ME205640	0.98	0.78	0.47	1.15	1.64	1.64	0.77	NA
GUANOSINE 5^-PHOSPHATE (M+H)+	ME205636	0.75	0.89	0.44	0.45	1.97	1.38	1.75	NA
ASPARTATE (M+NA)+	ME205611	0.95	0.69	0.35	0.35	1.42	1.20	1.33	NA
URIDINE (M+H)+	ME205672	0.72	0.42	0.75	0.52	1.44	1.34	1.82	NA
NICOTINAMIDE (M+H)+	ME205655	0.62	0.62	0.93	0.83	1.75	1.94	1.73	NA
TAURINE (M+NA)+	ME205668	0.62	0.68	0.75	0.71	1.94	2.06	1.88	NA
GUANOSINE (M+H)+	ME205635	1.03	0.74	0.84	0.81	1.35	1.80	1.28	NA
SARCOSINE (M+H)+	ME205663	1.17	0.73	0.80	0.70	1.59	1.44	1.52	NA
ALPHA-LINOLENIC ACID (M+NA)+	ME205609	0.56	0.90	1.08	0.97	1.04	1.77	1.37	NA
PANTOTHENATE (M+H)+	ME205658	0.86	0.66	1.09	0.84	1.24	1.57	1.63	NA
CHOLINE M+	ME205618	1.35	0.84	1.02	0.88	0.88	0.99	1.02	NA
N-METHYL-D-ASPARTIC ACID (M+NA)+	ME205654	1.42	0.98	1.07	0.83	1.01	0.69	0.74	NA
O-PHOSPHOSERINE (M+NA)+	ME205656	1.63	0.97	0.77	0.58	0.98	0.69	0.84	NA
TETRADECENOYLCARNITINE (*) M+	ME205669	1.68	0.97	0.58	0.80	0.55	0.56	0.74	NA
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+	ME205613	1.92	1.37	0.53	0.57	0.73	0.71	0.80	NA
CHOLINE PHOSPHATE (M+H)+	ME205619	1.79	1.09	0.60	0.67	0.81	1.03	0.73	NA
CYTIDINE 5^-DIPHOSPHOCHOLINE (M+H)+	ME205626	0.49	1.01	1.33	1.37	0.99	0.76	0.63	NA
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]	ME205602	0.86	0.73	1.00	1.51	0.84	1.25	0.68	NA
XANTHINE (M+H)+	ME205674	1.12	0.88	1.23	1.04	0.72	1.07	0.64	NA
1-OLEOYL-RAC-GLYCEROL (M+H)+	ME205597	0.97	1.38	1.08	0.57	0.65	0.92	1.19	NA
5-OXOPROLINE (M+H)+	ME205607	0.59	1.27	0.78	1.29	0.85	1.02	0.91	NA
TAURINE (M+H)+	ME205667	0.79	1.17	0.74	1.17	1.16	1.14	0.96	NA
GLUTAMATE (M+H)+[-H2O]	ME205632	0.94	1.08	0.97	0.68	1.34	1.32	1.32	NA
16:0 LYSO PC (M+NA)+	ME205600	0.83	1.01	0.93	0.90	1.25	1.21	1.35	NA
CYTIDINE 5^-DIPHOSPHOCHOLINE (M+K)+	ME205627	0.77	1.14	0.89	0.99	1.16	1.05	1.37	NA
L-[15N]ANTHRANILIC ACID [ISTD] (M+H)+	ME205644	0.91	0.81	0.83	1.16	1.07	1.12	1.35	NA
EPIBRASSINOLIDE [ISTD] (M+NA)+	ME205628	0.82	0.93	1.16	1.04	1.03	1.02	1.09	NA
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+	ME205643	0.84	0.94	1.12	1.05	1.02	1.02	1.08	NA
AZELAIC ACID (M+H)+[-H2O]	ME205612	0.69	0.98	1.66	1.06	0.58	0.55	1.14	NA
CARNITINE (M+H)+	ME205617	0.49	0.57	1.43	1.22	1.09	1.04	1.53	NA
N-ACETYL-L-ASPARTIC ACID (M+H)+	ME205651	1.55	0.51	0.30	0.16	2.02	2.32	2.18	NA
N-ACETYL-L-ASPARTIC ACID (M+NA)+	ME205652	1.72	0.49	0.39	0.19	1.97	1.88	1.83	NA
ASPARTATE (M+H)+	ME205610	2.10	0.31	0.14	0.12	1.18	0.96	1.19	NA
N-METHYL-D-ASPARTIC ACID (M+H)+	ME205653	1.73	0.76	0.51	0.49	1.71	1.24	1.35	NA
PHENYLALANINE (M+H)+	ME205659	1.50	0.69	0.46	0.81	1.92	0.76	1.53	NA

Factors:

F1	Species:Homo sapiens \| TYPE:Healthy control
F2	Species:Homo sapiens \| TYPE:NLA
F3	Species:Homo sapiens \| TYPE:PL
F4	Species:Homo sapiens \| TYPE:PLS
F5	Species:Mus musculus \| TYPE:ALD-KO
F6	Species:Mus musculus \| TYPE:KO-M
F7	Species:Mus musculus \| TYPE:WT
F8	Species:- \| TYPE:-

Data matrix