Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for WT and ΔSPT cultures of B. thetaiotaomicron and B. ovatus grown BHI liquid media (part I) (Study ST001125)

Reversed phase POSITIVE ION MODE (Analysis AN001850)

Metabolite	Structure	F1	F2	F3	F4
Ceramide (d18:1) C16:1	ME269532	0.15	2.19	0.66	NA
DAG C37:2	ME269574	0.01	2.31	0.99	0.20
DAG C32:0	ME269557	0.18	2.88	0.62	0.31
DAG C38:3	ME269578	0.06	2.73	0.39	0.82
TAG C55:4	ME269741	0.12	2.57	0.35	0.64
DAG C34:1	ME269563	0.16	2.36	0.73	0.75
DAG C36:1	ME269571	0.06	2.65	0.62	0.67
TAG C51:0	ME269719	0.20	2.51	0.65	0.64
DAG C35:1	ME269567	0.09	3.24	0.46	0.20
DAG C37:4	ME269573	0.06	3.38	0.53	0.03
MAG C22:0	ME269612	0.08	3.68	0.21	0.03
DAG C34:0	ME269564	0.05	3.74	0.10	0.12
DAG C39:0	ME269582	0.02	3.75	0.16	0.08
DAG C36:0	ME269572	0.16	3.45	0.23	0.15
DAG C40:2	ME269584	0.00	3.39	0.10	0.06
DHCer C36	ME269510	0.00	2.62	NA	0.38
DHCer C35	ME269509	0.00	2.73	0.00	0.77
sphinganine iso-C18	ME269497	0.00	2.85	0.00	0.65
CerPI C36	ME269505	0.01	3.53	0.02	0.44
DAG C38:1	ME269580	0.00	3.31	0.16	0.53
DAG C40:1	ME269585	0.09	3.28	0.18	0.46
CerPI C35	ME269504	0.12	3.17	0.26	0.46
DAG C38:2	ME269579	0.03	3.17	0.24	0.56
sphinganine iso-C16	ME269495	0.00	2.92	0.00	1.08
DHCer C34	ME269508	0.00	3.12	0.00	0.88
CerPI C34	ME269503	0.01	3.23	0.01	0.76
DAG C34:4	ME269560	0.08	3.13	0.03	0.76
PC C37:3	ME269636	2.17	NA	0.53	0.07
DAG C36:2	ME269570	0.10	0.75	2.38	0.77
DAG C35:2	ME269566	0.12	0.63	2.99	0.26
TAG C53:5	ME269727	0.29	1.29	2.72	0.21
DAG C34:2	ME269562	0.15	0.24	3.43	0.18
PC C28:0	ME269617	0.20	0.35	3.23	0.21
LPE C17:0	ME269595	0.34	0.00	3.45	0.21
PC C36:2	ME269633	0.25	0.00	3.65	0.10
TAG C54:9	ME269730	0.19	0.01	3.79	0.01
PC C34:0	ME269628	0.19	0.04	2.64	1.13
SM C20:0	ME269681	0.05	0.03	2.78	1.14
PE C39:1	ME269664	0.05	0.02	2.70	0.74
DAG C38:6	ME269575	0.08	0.06	3.02	0.84
DAG C40:6	ME269583	0.11	0.06	2.87	0.96
PE C33:3	ME269648	0.22	0.01	2.80	0.96
DAG C33:2	ME269558	0.31	0.25	2.77	0.67
DAG C35:3	ME269565	0.29	0.38	2.82	0.51
PE C35:1	ME269655	0.42	0.01	2.97	0.60
PC C36:1	ME269634	0.29	0.03	3.28	0.39
PC C34:1	ME269627	0.30	0.05	3.12	0.53
PC C35:1	ME269630	0.19	0.07	3.16	0.58
TAG C58:10	ME269748	0.20	0.16	3.10	0.54
DAG C32:2	ME269555	0.75	0.07	2.60	0.59
PE-plasmalogen C42:2	ME269671	1.11	0.01	2.85	0.03
PC C34:2	ME269626	0.73	0.03	3.11	0.13
PE C35:2	ME269654	0.79	0.00	2.96	0.26
PC C31:0	ME269622	0.41	NA	1.98	0.24
DAG C38:5	ME269576	NA	NA	1.84	0.16
PC C36:3	ME269632	0.14	NA	1.86	NA
SM C19:2	ME269680	0.14	0.52	2.34	NA
PC C30:1	ME269619	0.77	0.09	2.62	0.07
PE C35:3	ME269653	0.49	NA	2.44	0.07
PE-plasmalogen C42:3	ME269670	0.50	NA	2.43	0.07
PE-plasmalogen C34:1	ME269668	0.23	NA	2.66	0.11
LPC C14:0	ME269586	0.20	0.00	2.80	NA
LPC C15:0	ME269587	0.06	NA	2.92	0.02
Ceramide (d18:1) C19:0	ME269539	0.07	NA	2.78	0.14
PC C38:2	ME269638	0.11	NA	2.82	0.07
LPE C18:2	ME269597	0.05	NA	2.39	0.55
PC-plasmalogen C36:1	ME269643	0.05	NA	2.55	0.40
LPC C22:6	ME269592	0.04	NA	2.45	0.00
PC C35:2	ME269629	0.18	NA	2.24	0.16
PC C38:4	ME269637	0.25	NA	2.49	0.26
PC C36:0	ME269635	0.53	NA	1.83	0.64
PC-plasmalogen C34:0	ME269642	0.48	NA	1.62	0.89
LPE C18:1	ME269598	0.18	0.01	2.24	1.08
LPE C20:4	ME269600	0.07	NA	2.16	0.77
PC C38:1	ME269639	0.10	NA	2.08	0.82
PC-plasmalogen C34:1	ME269641	0.16	NA	2.04	0.80
LPE C22:6	ME269601	0.03	NA	1.70	0.79
LPE C18:0	ME269599	0.01	0.00	1.87	1.13
PE C38:1	ME269663	0.04	NA	1.81	1.15
PE C38:2	ME269662	0.06	NA	1.79	1.15
SM C24:2	ME269684	0.06	NA	1.78	1.16
Ceramide (d18:1) C22:1	ME269543	0.01	0.13	2.07	1.79
PE C37:1	ME269660	0.18	0.00	2.20	1.62
PC C32:0	ME269624	0.20	0.05	2.17	1.58
SM C16:0	ME269678	0.23	0.03	2.15	1.59
SM C24:1	ME269685	0.14	0.01	2.15	1.70
SM C18:0	ME269679	0.09	0.02	2.28	1.61
SM C22:1	ME269682	0.09	0.01	2.22	1.67
PE C36:1	ME269658	0.26	0.01	2.28	1.45
SM C22:0	ME269683	0.13	0.00	2.36	1.51
SM C24:0	ME269686	0.16	0.01	2.28	1.55
PE C33:0	ME269651	0.32	0.04	2.47	1.18
MAG C18:2	ME269607	0.36	0.04	2.26	1.34
PE C33:2	ME269649	0.49	0.00	2.25	1.26
PE C34:1	ME269652	0.54	0.00	2.29	1.16
MAG C16:1	ME269604	0.45	0.36	2.30	0.89
PE C32:0	ME269647	0.74	0.03	2.30	0.92
PE C42:1	ME269665	0.00	NA	1.38	1.12
SM C14:0	ME269676	0.13	NA	1.37	1.50
SM C15:0	ME269677	0.09	NA	1.31	1.61
PC C33:1	ME269625	0.43	NA	1.15	1.41
PE C38:3	ME269661	0.41	NA	1.28	1.31
PE C36:2	ME269657	0.24	NA	1.40	1.37
PE C37:2	ME269659	0.26	NA	1.52	1.22
Ceramide (d18:1) C24:1	ME269548	0.06	0.45	1.29	2.20
CE C19:2	ME269523	0.18	0.13	1.38	2.30
Ceramide (d18:1) C18:0	ME269537	0.06	0.18	1.36	2.40
PE C43:1	ME269666	0.00	0.00	1.71	1.79
Ceramide (d18:1) C23:1	ME269545	0.01	0.16	1.78	2.05
LPC C16:0	ME269588	0.14	0.08	1.76	2.02
PE C33:1	ME269650	0.56	0.01	1.47	1.96
DAG C32:3	ME269554	0.47	0.19	1.59	1.74
PC C36:4	ME269631	0.39	0.10	1.72	1.80
PS C30:0	ME269674	1.76	0.20	1.76	0.28
MAG C18:0	ME269610	1.02	0.66	1.90	0.43
sphingosine	ME269614	0.95	0.28	2.07	0.70
PI C36:5	ME269672	NA	NA	1.26	0.49
cholesterol	ME269615	0.99	NA	1.54	0.47
PC C31:1	ME269621	0.83	NA	1.17	NA
PC C32:2	ME269623	0.88	NA	1.62	0.00
PI C36:4	ME269673	0.43	NA	1.57	NA
Ceramide (d18:1) C17:0	ME269535	0.00	0.03	0.06	3.90
CE C19:3	ME269522	0.01	0.18	0.11	3.70
3-ketosphinganine iso-C18	ME269491	0.00	0.31	0.01	3.68
1-deoxysphinganine iso-C17	ME269487	0.00	0.42	0.01	3.57
CerPE C32	ME269492	0.00	0.40	0.01	3.59
3-ketosphinganine iso-C16	ME269489	0.00	1.25	0.00	2.74
CerPE C33	ME269500	0.00	1.08	0.01	2.90
1-deoxysphinganine iso-C16	ME269486	0.01	0.86	0.01	3.13
1-deoxysphinganine iso-C18	ME269488	0.00	0.62	0.00	3.38
3-ketosphinganine iso-C17	ME269490	0.01	0.67	0.02	3.31
CE C18:0	ME269521	0.03	0.50	0.60	2.87
DAG C30:0	ME269551	0.22	0.69	0.26	2.84
CE C20:1	ME269527	0.02	0.67	0.30	3.01
PE-plasmalogen C42:5	ME269669	0.09	0.54	0.42	2.95
LPC C18:0	ME269591	0.58	0.48	0.21	2.73
CE C17:3	ME269515	NA	0.03	0.02	2.94
LPE C14:0	ME269593	0.09	NA	0.13	2.78
LPE C18:3	ME269596	0.06	NA	0.21	2.73
Ceramide (d18:1) C18:1	ME269536	0.08	0.22	0.59	3.11
PC C40:1	ME269640	0.05	0.00	0.37	3.08
Ceramide (d18:1) C22:2	ME269542	0.62	NA	0.38	1.69
PE C36:3	ME269656	0.55	NA	0.34	2.11
Ceramide (d18:1) C15:1	ME269531	NA	NA	0.00	1.50
LPC C18:1	ME269590	NA	NA	0.04	1.48
Ceramide (d18:1) C19:1	ME269538	NA	0.05	NA	1.95
PE-plasmalogen C33:3	ME269667	0.02	NA	NA	1.98
Ceramide (d18:1) C16:0	ME269533	0.00	0.19	NA	2.31
Ceramide (d18:1) C17:1	ME269534	0.00	0.14	NA	2.36
LPE C15:0	ME269594	0.06	0.08	1.03	2.83
MAG C18:3	ME269608	0.48	0.28	1.16	2.07
PE C30:0	ME269645	0.77	0.31	1.02	1.89
PE C31:0	ME269646	0.85	0.07	1.25	1.83
4-cholesten-3-one	ME269616	0.55	0.31	0.71	2.43
PE C29:0	ME269644	0.94	0.04	0.79	2.23
CE C19:1	ME269524	NA	0.41	0.46	2.13
CE C20:3	ME269525	0.00	0.63	0.34	2.20
CE C18:1	ME269520	0.22	0.73	0.90	2.15
CE C18:2	ME269519	0.18	0.59	0.92	2.31
MAG C15:0	ME269603	0.21	0.52	0.85	2.42
CE C18:3	ME269518	NA	0.61	0.72	1.67
Ceramide (d18:1) C24:2	ME269547	NA	0.14	1.06	1.80
DHCer C33	ME269507	0.00	2.56	0.00	1.44
sphinganine iso-C17	ME269496	0.00	2.47	0.00	1.53
deoxyketosphingosine iso-C17	ME269499	0.00	2.26	0.00	1.73
sphinganine iso-C15	ME269494	0.00	2.12	0.00	1.88
CerPE C35	ME269502	0.01	1.76	0.03	2.20
CerPE C34	ME269501	0.01	1.59	0.02	2.38
sphinganine iso-C14	ME269493	0.00	1.68	0.00	2.32
CE C16:0	ME269514	0.13	1.10	0.50	2.27
DAG C31:0	ME269553	0.29	1.01	0.53	2.18
CE C20:2	ME269526	NA	0.82	0.03	2.16
sphinganine iso-C19	ME269498	0.00	1.12	0.00	2.38
DAG C30:2	ME269550	1.98	0.13	0.67	1.22
DAG C31:2	ME269552	1.15	0.13	1.36	1.36
MAG C22:1	ME269611	1.28	0.41	0.72	1.59
TAG C43:0	ME269688	1.48	0.31	0.58	1.62
TAG C42:0	ME269687	1.32	0.44	1.03	1.21
TAG C44:0	ME269690	1.30	0.66	0.87	1.18
MAG C14:0	ME269602	0.94	0.66	1.01	1.40
TAG C45:0	ME269693	1.05	0.64	0.77	1.54
TAG C52:6	ME269720	NA	1.02	1.49	0.47
CE C22:1	ME269529	0.05	2.09	0.60	1.50
TAG C51:5	ME269715	0.33	2.04	0.66	1.30
TAG C53:1	ME269732	0.36	1.73	0.71	1.20
DAG C33:1	ME269559	0.25	1.80	0.84	1.11
TAG C49:0	ME269708	0.27	1.66	0.94	1.12
DAG C32:1	ME269556	0.26	1.71	0.81	1.22
TAG C53:4	ME269728	0.32	1.59	0.86	1.22
TAG C58:3	ME269750	0.25	1.98	1.02	0.75
TAG C58:4	ME269749	0.25	2.08	0.91	0.76
TAG C54:1	ME269739	0.43	1.74	0.88	0.95
TAG C56:2	ME269747	0.39	1.80	1.04	0.77
TAG C54:6	ME269734	0.66	0.83	1.43	1.09
oleamide	ME269613	0.78	0.71	1.30	1.21
TAG C46:0	ME269697	0.84	0.80	1.25	1.11
MAG C16:0	ME269605	0.96	1.02	1.18	0.84
LPC C17:0	ME269589	0.89	0.94	1.04	1.12
PC C24:0	ME269512	0.94	1.04	1.01	1.01
MAG C18:1	ME269609	0.35	0.90	1.99	0.75
DAG C34:3	ME269561	0.43	0.82	1.72	1.03
MAG C17:0	ME269606	0.59	0.82	1.62	0.97
TAG C54:7	ME269733	0.66	0.82	1.71	0.82
Ceramide (d18:1) C21:0	ME269541	0.06	0.91	1.77	1.26
Ceramide (d18:1) C20:0	ME269540	0.07	0.52	1.64	1.76
Ceramide (d18:1) C23:0	ME269546	0.14	0.78	1.45	1.63
Ceramide (d18:1) C24:0	ME269549	0.13	0.71	1.50	1.65
PC C29:0	ME269618	0.02	0.96	1.30	1.72
Ceramide (d18:1) C22:0	ME269544	0.13	1.21	1.22	1.44
TAG C50:5	ME269709	0.07	1.04	1.48	1.42
TAG C52:0	ME269726	0.49	1.58	1.19	0.74
TAG C54:0	ME269740	0.46	1.48	1.39	0.68
TAG C47:0	ME269700	0.49	1.09	1.42	1.00
TAG C48:0	ME269705	0.37	1.11	1.52	1.00
DAG C38:4	ME269577	0.21	1.39	1.36	1.04
DAG C36:3	ME269569	0.19	1.28	1.30	1.23
TAG C48:4	ME269701	0.32	1.27	1.21	1.21
TAG C50:0	ME269714	0.33	1.25	1.30	1.12
TAG C52:5	ME269721	0.44	0.71	1.14	1.71
TAG C44:1	ME269689	0.44	1.16	1.25	1.15
TAG C45:2	ME269691	0.42	1.10	1.26	1.22
TAG C48:3	ME269702	0.42	0.94	1.23	1.41
TAG C47:2	ME269698	0.46	1.04	1.16	1.34
TAG C46:2	ME269695	0.42	1.05	1.25	1.28
TAG C46:3	ME269694	0.41	1.00	1.28	1.31
TAG C54:5	ME269735	0.63	1.09	1.05	1.23
TAG C50:2	ME269712	0.49	1.09	0.99	1.43
TAG C45:1	ME269692	0.45	1.18	1.06	1.31
TAG C50:4	ME269710	0.50	1.12	1.10	1.28
TAG C49:3	ME269706	0.39	1.08	0.95	1.58
TAG C51:2	ME269717	0.39	1.09	0.92	1.60
TAG C48:2	ME269703	0.43	1.02	0.98	1.57
TAG C54:3	ME269737	0.46	0.96	0.96	1.62
TAG C54:4	ME269736	0.57	1.04	0.87	1.53
TAG C52:2	ME269724	0.50	1.05	0.83	1.62
TAG C56:4	ME269745	0.50	1.06	0.77	1.68
TAG C52:4	ME269722	0.60	0.91	1.13	1.36
TAG C50:3	ME269711	0.47	0.89	1.10	1.53
PC C30:0	ME269620	0.65	0.93	0.94	1.49
TAG C52:3	ME269723	0.56	0.91	0.97	1.56
TAG C58:2	ME269751	0.33	1.31	1.02	1.34
CE C16:1	ME269513	0.34	1.27	0.84	1.54
DAG C36:4	ME269568	0.34	1.22	0.96	1.49
TAG C47:1	ME269699	0.44	1.20	0.95	1.41
TAG C48:1	ME269704	0.44	1.22	0.91	1.43
TAG C46:1	ME269696	0.41	1.16	0.97	1.46
TAG C51:3	ME269716	0.42	1.19	0.92	1.47
TAG C54:2	ME269738	0.48	1.26	0.92	1.34
TAG C49:1	ME269707	0.43	1.25	0.86	1.46
TAG C52:1	ME269725	0.47	1.29	0.82	1.43
TAG C56:3	ME269746	0.38	1.40	0.79	1.43
TAG C51:1	ME269718	0.37	1.48	0.85	1.30
TAG C55:2	ME269743	0.48	1.45	0.88	1.20
TAG C56:5	ME269744	0.45	1.43	0.41	1.71
CE C17:1	ME269516	0.20	1.23	0.88	1.69
TAG C55:3	ME269742	0.47	0.99	0.70	1.83
TAG C53:2	ME269731	0.44	1.14	0.71	1.71
TAG C50:1	ME269713	0.40	1.16	0.67	1.77
TAG C53:3	ME269729	0.41	1.18	0.61	1.81
PS C36:1	ME269675	1.20	1.61	0.09	1.09
CE C17:0	ME269517	NA	1.63	NA	0.37
DAG C39:4	ME269581	NA	1.93	NA	0.07
DHCer C32	ME269506	NA	1.72	0.00	1.27
CE C22:3	ME269528	NA	1.07	0.36	1.28
DHCer C37	ME269511	NA	0.95	NA	1.05

Factors:

F1	Species:Bacteroides ovatus \| Strain:SPT K.O. (BACOVA_02588)
F2	Species:Bacteroides ovatus \| Strain:WT (ATCC_8483)
F3	Species:Bacteroides thetaiotaomicron \| Strain:SPT K.O. (BT_0870)
F4	Species:Bacteroides thetaiotaomicron \| Strain:WT (VPI-5482)

Data matrix