#METABOLOMICS WORKBENCH jravilap_20190117_112631_mwtab.txt DATATRACK_ID:1605 STUDY_ID:ST001126 ANALYSIS_ID:AN001851 PROJECT_ID:PR000754
VERSION             	1
CREATED_ON             	February 4, 2019, 12:25 pm
#PROJECT
PR:PROJECT_TITLE                 	Bacteroides-derived sphingolipids are critical for maintaining intestinal
PR:PROJECT_TITLE                 	homeostasis and symbiosis
PR:PROJECT_SUMMARY               	Sphingolipids are structural membrane components and important eukaryotic
PR:PROJECT_SUMMARY               	signaling molecules. We hypothesized that sphingolipids mediate intestinal
PR:PROJECT_SUMMARY               	health as they were identified as the most upregulated metabolite feature in
PR:PROJECT_SUMMARY               	stool of inflammatory bowel disease (IBD) patients. Commensal Bacteroidetes also
PR:PROJECT_SUMMARY               	produce sphingolipids, but the impact of these metabolites on host pathways is
PR:PROJECT_SUMMARY               	largely uncharacterized. To study Bacteroidetes sphingolipids in intestinal
PR:PROJECT_SUMMARY               	health, we colonized germ-free mice with a sphingolipid-deficient Bacteroides
PR:PROJECT_SUMMARY               	thetaiotaomicron strain. A lack of Bacteroides-derived sphingolipids increased
PR:PROJECT_SUMMARY               	intestinal inflammation, dysregulated innate immunity and altered the host
PR:PROJECT_SUMMARY               	ceramide pool. Using metabolomic analysis, we described the Bacteroides
PR:PROJECT_SUMMARY               	sphingolipid biosynthesis pathway and revealed a greater variety of
PR:PROJECT_SUMMARY               	Bacteroides-derived sphingolipids than previously recognized, including ceramide
PR:PROJECT_SUMMARY               	phosphoinositol and deoxy-sphingolipids. We annotated Bacteroides sphingolipids
PR:PROJECT_SUMMARY               	in an IBD metabolomic dataset, discovering lower abundances in IBD and negative
PR:PROJECT_SUMMARY               	correlations with gut inflammation and host sphingolipid production. These data
PR:PROJECT_SUMMARY               	highlight the role of sphingolipids in maintaining host-bacterial symbiosis and
PR:PROJECT_SUMMARY               	intestinal homeostasis.
PR:INSTITUTE                     	Broad Institute of MIT and Harvard
PR:LAST_NAME                     	Avila-Pacheco
PR:FIRST_NAME                    	Julian
PR:ADDRESS                       	415 Main Street, Cambridge MA
PR:EMAIL                         	jravilap@broadinstitute.org
PR:PHONE                         	617-714-8264
PR:FUNDING_SOURCE                	National Institutes of Health (P30 DK043351 and R01 AT009708)
PR:CONTRIBUTORS                  	Eric M. Brown, Xiaobo Ke, Daniel Hitchcock, Timothy D. Arthur, Toru Nakata,
PR:CONTRIBUTORS                  	Nadine Fornelos, Cortney Heim, Eric A. Franzosa1,4, Curtis Huttenhower1,4, Henry
PR:CONTRIBUTORS                  	J. Haiser3, Glen 6 Dillow3, Daniel B. Graham1, B. Brett Finlay, Aleksandar D.
PR:CONTRIBUTORS                  	Kostic, Jeffrey A. Porter, Hera Vlamakis, Sarah Jeanfavre, Julian Avila-Pacheco,
PR:CONTRIBUTORS                  	Clary B. Clish, and Ramnik J. Xavier
#STUDY
ST:STUDY_TITLE                   	WT and ΔSPT cultures of B. thetaiotaomicron grown in Minimal Media (part II)
ST:STUDY_SUMMARY                 	Lipid profiling was applied on WT and ΔSPT cultures of B. thetaiotaomicron
ST:STUDY_SUMMARY                 	grown in minimal liquid media in order to confirm the production of
ST:STUDY_SUMMARY                 	Bacteroides-derived sphingolipids.
ST:INSTITUTE                     	Broad Institute of MIT and Harvard;Harvard School of Public Health; University of Groningen;Novartis Institute for Biomedical Research Inc
ST:INSTITUTE                     	Center for the Study of Inflammatory Bowel Disease, University of Groningen and
ST:INSTITUTE                     	University Medical Center Groningen, Novartis Institute for Biomedical Research
ST:INSTITUTE                     	Inc
ST:LAST_NAME                     	Avila-Pacheco
ST:FIRST_NAME                    	Julian
ST:ADDRESS                       	415 Main Street
ST:EMAIL                         	jravilap@broadinstitute.org
ST:PHONE                         	617-714-8264
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	6
#SUBJECT
SU:SUBJECT_TYPE                  	Bacteria
SU:SUBJECT_SPECIES               	Bacteroides thetaiotaomicron VPI-5482
SU:TAXONOMY_ID                   	226186
SU:GENOTYPE_STRAIN               	WT (VPI-5482), SPT K.O. (BT_0870)
SU:CELL_BIOSOURCE_OR_SUPPLIER    	ATCC
SU:CELL_STRAIN_DETAILS           	Wild type Bacteroides tethaiotamicron strains and serine palmitoyltransferase
SU:CELL_STRAIN_DETAILS           	(SPT) knockouts
SU:SUBJECT_COMMENTS              	Grown in Minimal Media
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	KO1_1	Bacterial Species / Inoculum:SPT K.O. (BT_0870)	Sample Type=Bacterial Cell extract; Specimen Species=Bacteroides thetaiotaomicron; Media=Minimal; Raw File Name:=Eric4.raw
SUBJECT_SAMPLE_FACTORS           	-	KO2_2	Bacterial Species / Inoculum:SPT K.O. (BT_0870)	Sample Type=Bacterial Cell extract; Specimen Species=Bacteroides thetaiotaomicron; Media=Minimal; Raw File Name:=Eric5.raw
SUBJECT_SAMPLE_FACTORS           	-	KO3_3	Bacterial Species / Inoculum:SPT K.O. (BT_0870)	Sample Type=Bacterial Cell extract; Specimen Species=Bacteroides thetaiotaomicron; Media=Minimal; Raw File Name:=Eric6.raw
SUBJECT_SAMPLE_FACTORS           	-	WT1_4	Bacterial Species / Inoculum:WT (VPI-5482)	Sample Type=Bacterial Cell extract; Specimen Species=Bacteroides thetaiotaomicron; Media=Minimal; Raw File Name:=Eric1.raw
SUBJECT_SAMPLE_FACTORS           	-	WT2_5	Bacterial Species / Inoculum:WT (VPI-5482)	Sample Type=Bacterial Cell extract; Specimen Species=Bacteroides thetaiotaomicron; Media=Minimal; Raw File Name:=Eric2.raw
SUBJECT_SAMPLE_FACTORS           	-	WT3_6	Bacterial Species / Inoculum:WT (VPI-5482)	Sample Type=Bacterial Cell extract; Specimen Species=Bacteroides thetaiotaomicron; Media=Minimal; Raw File Name:=Eric3.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	WT and ΔSPT cultures of B. thetaiotaomicron were grown in 5 mL of minimal 714
CO:COLLECTION_SUMMARY            	media (M9 salts (Teknova), 1% vitamin K1-hemin solution (Becton Dickinson), 1%
CO:COLLECTION_SUMMARY            	trace mineral 715 supplement (ATCC), 1% trace vitamin supplement (ATCC), 2%
CO:COLLECTION_SUMMARY            	lactose).
CO:SAMPLE_TYPE                   	Bacterial cells
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	In-frame deletion of the serine palmitoyl transferase gene (spt) in B.
TR:TREATMENT_SUMMARY             	thetaiotaomicron Δtdk was generated using a counter-selectable allelic exchange
TR:TREATMENT_SUMMARY             	procedure (Koropatkin et al., 2008).
TR:CELL_STORAGE                  	-80C
TR:CELL_GROWTH_CONTAINER         	anaerobic chamber (Coy Laboratory Products) with an atmosphere of 20% CO2, 5%
TR:CELL_GROWTH_CONTAINER         	H2, and 75% N2 at 37°C.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	After 48 hrs, resulting cultures were pelleted by centrifugation at 8000 rpm for
SP:SAMPLEPREP_SUMMARY            	10 min and cell density was normalized. Lipids were extracted using isopropanol
SP:SAMPLEPREP_SUMMARY            	and stored at -80C until ready for lipidomic analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Shimadzu Nexera X2
CH:COLUMN_NAME                   	Waters Acquity BEH C8 (100 x 2.1mm, 1.7um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Metabolomics Platform
AN:OPERATOR_NAME                 	Daniel Hitchcock
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Focus
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Raw data were processed using TraceFinder 3.1 (Thermo Fisher) and Progenesis QI
MS:MS_COMMENTS                   	(Nonlinear dynamics). Retention time, m/z, MS/MS fragmentation were used to
MS:MS_COMMENTS                   	confirm the identity of metabolite using authentic reference standards when
MS:MS_COMMENTS                   	available (level 1 identifications), in addition to monitoring the product ions
MS:MS_COMMENTS                   	produced and the retention time and mass of species belonging to the each lipid
MS:MS_COMMENTS                   	class (level 2-3 annotation).
MS:MS_RESULTS_FILE               	ST001126_AN001851_Results.txt	UNITS:abundance	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Abundances
MS_METABOLITE_DATA_START
Samples	KO1_1	KO2_2	KO3_3	WT1_4	WT2_5	WT3_6
Factors	Bacterial Species / Inoculum:SPT K.O. (BT_0870)	Bacterial Species / Inoculum:SPT K.O. (BT_0870)	Bacterial Species / Inoculum:SPT K.O. (BT_0870)	Bacterial Species / Inoculum:WT (VPI-5482)	Bacterial Species / Inoculum:WT (VPI-5482)	Bacterial Species / Inoculum:WT (VPI-5482)
1-deoxysphinganine iso-C16	222	178	212	626467	565577	626760
1-deoxysphinganine iso-C17	1716	2243	1768	4200805	4028578	4492380
1-deoxysphinganine iso-C18		89		4809371	5804714	6157277
3-ketosphinganine iso-C16	24176	17500	21035	18724	15011	15585
3-ketosphinganine iso-C17	47556	40707	44500	48703	47893	48013
3-ketosphinganine iso-C18	4254	3883	4548	48120	51353	56012
CE C18:1	1999	1692	2988	3386	2010	2181
CE C18:2	13350	5815	21182	2966	7472	4759
Ceramide (d18:1) C16:0				15880	11452	13017
Ceramide (d18:1) C16:1	133	122	164	50627	41708	47552
Ceramide (d18:1) C17:0				72784	70145	68639
Ceramide (d18:1) C17:1	893	869	1114	791695	766855	787912
Ceramide (d18:1) C18:0				21481	24691	24519
Ceramide (d18:1) C18:1	51	111	124	4815294	5544981	5520160
Ceramide (d18:1) C19:1				3985064	5960011	5537488
Ceramide (d18:1) C20:1				96137	137995	137844
Ceramide (d18:1) C22:0	456	270	317	407	448	350
Ceramide (d18:1) C24:0	3350	2720	2242	2872	2614	2420
Ceramide (d18:1) C24:1	1231	1325	1510	1892	2103	1903
CerPE C32	120	36	53	270738	192274	217912
CerPE C33		52		2988299	2458338	2795093
CerPE C34		2406		16287102	15720564	16622363
CerPE C35	1446	18714	1950	28758435	27463205	28581635
CerPE C36	512	9647	848	16842921	17932290	18411492
CerPI C34	1750	1437	2239	1660726	1493899	1371908
CerPI C35	17034	17040	27089	3841499	3840846	3400546
CerPI C36	153406	151366	211807	1518607	1921796	1630411
deoxy dihydroceramide C34				679922	587838	592507
deoxy dihydroceramide C35				4823792	4937064	4535766
deoxyketosphingosine iso-C17	746	787	1046	9524	9078	8544
DHCer C32				6519	8798	11684
DHCer C33				179050	203392	251556
DHCer C34	53			1716206	2215665	2749916
DHCer C35				5666901	7489101	8941161
DHCer C36				2835341	4612033	5302785
DHCer C37				3646894	6187153	6023025
sphinganine iso-C14				27971	24489	30797
sphinganine iso-C15				2683	3010	3319
sphinganine iso-C16	4141	3954	3799	121538	106552	117910
sphinganine iso-C17	61	19	16	387286	330877	341317
sphinganine iso-C18	1711	1467	1731	307931	394718	438800
sphinganine iso-C19				143790	156588	174204
LPC C16:0	401	308	861	284	239	227
LPC C17:0	6561630	7053126	6897306	7372843	7595292	6951568
LPC C19:0	1140	1780	1595	1048	1095	1347
LPE C15:0	5487	1716	2305	12226	14452	12086
LPE C15:0 isomer	38152	12238	16843	56017	73053	48655
LPE C16:0	23630	9477	8351	34087	33008	31560
LPE C17:0	14008	3759	3262	2551	3469	2733
LPE C18:1	370	376	395	3559	3479	3554
LPE C19:1				4791	4901	3360
LPE C20:0	2021	2156	2267	667	855	770
oleamide	43990	63942	41963	899869	280494	389795
PC C24:0	7176351	7429084	7472857	6250206	6215724	6111308
PC C26:0	7698	7969	6978	6010	6096	5794
PC C34:1	475	1514	3052	822	1647	956
PC C34:2	3648	1229	8747	132	412	531
PE C27:0	36232	29397	38298	8338	8022	8892
PE C29:0	2386099	1840377	2590941	2504305	2818710	3085853
PE C30:0	6938405	5290224	7023754	19264297	24461010	25991340
PE C31:0	8107974	6284821	8563666	22873007	27845212	28889234
PE C32:0	4842759	3708855	5081858	4294888	6551281	6454331
PE C33:0	1152257	976096	1243876	626575	851158	870446
PE C33:1	5162	5445	5348	6724	8090	8301
PE C34:0	366331	300098	386316	96816	133527	130682
PE C35:0	40917	34294	43152	16467	19776	18930
PE C36:0	1915	2344	1649			325
PS C30:0	9103	7147	10911	4738	4543	3214
PS C32:0	7647	5523	8520		16129	15385
sphingosine	34695	34931	37220	25518	28004	25934
MAG C14:0	9483	9740	8891	5193	5190	5053
MAG C15:0	4916	4726	4257	3969	4576	4730
MAG C16:0	330281	353002	342670	335487	343752	317214
MAG C16:1	18080	16694	16705	7975	8319	6923
MAG C17:0	1992	1862	1585	1490	1378	1440
MAG C18:0	874463	880556	854667	532053	581001	528257
MAG C18:1	1553	1503	1348	2218	1209	1636
MAG C18:2			72	1058	659	489
MAG C22:0	9093	5724	9785	1222	5309	3267
MAG C22:1	17088	24326	36643	9744	17967	38425
DAG C30:0	460738	409209	481437	1889242	3077059	3487765
DAG C30:2	61079	54666	50247	417482	452672	502260
DAG C31:0	516188	465806	549240	1853682	2762962	3106210
DAG C31:2	245779	206505	210649	1080110	1477815	1600914
DAG C32:0	264657	236930	276532	282550	498626	530192
DAG C32:2	68483	38111	45318	202522	261686	267905
DAG C33:0	47001	42830	51270	39314	63216	74067
DAG C33:2	82595	43347	48652	97236	133109	128393
DAG C34:0	41706	44101	41896	32491	34992	36764
DAG C34:1	1343	1777	1775	4671	2513	3967
DAG C34:2	3312	1571	1512	5992	6631	6874
DAG C36:0	38909	42283	39012	33383	31711	30225
DAG C36:1	3314	5357	2954	4986	4351	4778
DAG C36:2	3575	5229	3641	6031	4882	5896
TAG C42:0	10269	11286	10063	8247	5832	9557
TAG C43:0	4490	7473	7363	3735	3678	4076
TAG C44:0	20590	22717	24576	20208	14125	20731
TAG C44:1	729	423	2603	4859	480	3223
TAG C45:0	24519	26756	24950	30229	30036	35202
TAG C45:1	203	330	2292	2627	84	1295
TAG C46:0	44255	51114	48166	51436	44378	55126
TAG C46:1	4539	4169	12484	21266	4094	13327
TAG C46:2	699	406	1720	2892	395	1789
TAG C47:0	29938	35595	33296	26211	22566	27601
TAG C47:1	3588	4247	12249	18026	2110	10258
TAG C47:2	730		1398	3235	705	1863
TAG C48:0	39030	47605	47105	38771	29962	33631
TAG C48:1	9020	8204	20653	32416	6516	18538
TAG C48:2	2239	1827	8122	17991	2155	6702
TAG C49:0	10591	17104	16772	12858	9745	11212
TAG C49:1	2720	2095	8542	13718	2242	7984
TAG C49:2	171	535	3256	8370	606	3233
TAG C50:0	27575	30502	25614	35195	22861	28057
TAG C50:1	19717	18278	31184	40887	16291	27915
TAG C50:2	7305	4789	11656	27083	4171	11184
TAG C52:0	10184	7873	4635	9744	4531	5678
TAG C52:1	2049	1710	2841	8765	1112	3666
TAG C52:2	23707	19276	27757	38550	17215	23530
TAG C52:3	5920	4313	7707	11624	5119	5935
TAG C54:3	26475	17764	22282	41042	22201	30012
TAG C54:4	10842	9061	8198	10945	10186	8872
TAG C54:5	4002	5048	2755	4757	8549	7125
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	quantified m/z	rtimes	Representative HMDB	Detailed Annotation
1-deoxysphinganine iso-C16	272.2947	4.64		1-deoxysphinganine (iso-16:0)
1-deoxysphinganine iso-C17	286.3102	4.86		1-deoxysphinganine (iso-17:0)
1-deoxysphinganine iso-C18	300.3258	5.13		1-deoxysphinganine (iso-18:0)
3-ketosphinganine iso-C16	286.2738	4.35		1-ketoysphinganine (iso-16:0)
3-ketosphinganine iso-C17	300.2895	4.48		1-ketosphinganine (iso-17:0)
3-ketosphinganine iso-C18	314.3051	4.78		1-ketoysphinganine (iso-18:0)
CE C18:1	673.5874	12.42	HMDB0000918
CE C18:2	671.573	12.1	HMDB0000610
Ceramide (d18:1) C16:0	538.5196	8.82	HMDB0004949
Ceramide (d18:1) C16:1	536.5043	8.35
Ceramide (d18:1) C17:0	552.536	9.05
Ceramide (d18:1) C17:1	550.52	8.59
Ceramide (d18:1) C18:0	566.5509	9.27	HMDB0004950
Ceramide (d18:1) C18:1	564.5345	8.79	HMDB0004948
Ceramide (d18:1) C19:1	578.5505	9.02
Ceramide (d18:1) C20:1	592.5666	9.25
Ceramide (d18:1) C22:0	644.5944	10.17	HMDB0004952
Ceramide (d18:1) C24:0	672.6258	10.52	HMDB0004956
Ceramide (d18:1) C24:1	670.6102	10.21	HMDB0004953
CerPE C32	651.5068	7.85		CerPE (iso-d15:0/iso-15:0 (3OH))
CerPE C33	665.5224	8.13		CerPE (iso-d15:0/iso-16:0 (3OH))
CerPE C34	679.5367	8.37		CerPE (iso-d16:0/iso-16:0 (3OH))
CerPE C35	693.5523	8.59		CerPE (iso-d16:0/iso-17:0 (3OH))
CerPE C36	707.568	8.81
CerPI C34	798.5475	8.01		PI-Cer (iso-d16:0/iso-16:0 (3OH))
CerPI C35	812.5615	8.28		PI-Cer (iso-d16:0/iso-17:0 (3OH))
CerPI C36	826.5772	8.52		PI-Cer (iso-d16:0/iso-18:0 (3OH))
deoxy dihydroceramide C34	540.5357	8.7
deoxy dihydroceramide C35	554.5504	8.89
deoxyketosphingosine iso-C17	284.2947	4.71
DHCer C32	528.4996	7.97		Cer (iso-d15:0/iso-15:0 (3OH))
DHCer C33	542.5151	8.26		Cer (iso-d15:0/iso-16:0 (3OH))
DHCer C34	556.5296	8.51		Cer (iso-d16:0/iso-16:0 (3OH))
DHCer C35	570.5453	8.7		Cer (iso-d16:0/iso-17:0 (3OH))
DHCer C36	584.561	8.93		Cer (iso-d16:0/iso-18:0 (3OH))
DHCer C37	598.5764	8.9		Cer (iso-d16:0/iso-19:0 (3OH))
sphinganine iso-C14	260.2583	4.12		sphinganine iso-d14:0
sphinganine iso-C15	274.2739	4.14		sphinganine iso-d15:0
sphinganine iso-C16	288.2895	4.46		sphinganine iso-d16:0
sphinganine iso-C17	302.305	4.7		sphinganine iso-d17:0
sphinganine iso-C18	316.3206	4.95		sphinganine iso-d18:0
sphinganine iso-C19	330.3363	5.31		sphinganine iso-d19:0
LPC C16:0	496.3402	5.29	HMDB0010382
LPC C17:0	510.356	5.6	HMDB0012108
LPC C19:0	538.3875	6.27
LPE C15:0	440.2778	5	HMDB0011472
LPE C15:0 isomer	440.2778	4.79
LPE C16:0	454.2929	5.3
LPE C17:0	468.3089	5.55
LPE C18:1	480.3095	5.31	HMDB0011475
LPE C19:1	494.3246	5.66
LPE C20:0	510.356	6.36
oleamide	282.2789	5.72	HMDB0002117
PC C24:0	622.4432	7.1	Internal Standard
PC C26:0	650.4751	7.68
PC C34:1	760.5827	9.33	HMDB0007972
PC C34:2	758.5671	9.04	HMDB0007973
PE C27:0	644.4254	7.93
PE C29:0	650.4747	8.45	HMDB0008823
PE C30:0	664.4903	8.67	HMDB0008824
PE C31:0	678.5049	8.91	HMDB0008890
PE C32:0	692.5208	9.1	HMDB0008826
PE C33:0	706.5369	9.35	HMDB0008988
PE C33:1	704.5221	9.06	HMDB0008893
PE C34:0	720.5527	9.51
PE C35:0	734.5685	9.73
PE C36:0	748.5821	9.9
PS C30:0	708.4792	8.44	HMDB0012332
PS C32:0	736.5102	8.75
sphingosine	300.2894	5.44	HMDB0000252
MAG C14:0	325.2347	5.06	HMDB0011530
MAG C15:0	339.2502	5.37
MAG C16:0	353.2658	5.7	HMDB0011533
MAG C16:1	351.2503	5.43	HMDB0011534
MAG C17:0	367.2815	6.03
MAG C18:0	381.2971	6.39	HMDB0011131
MAG C18:1	379.2819	5.9	HMDB0011536
MAG C18:2	372.3103	5.44	HMDB0011568
MAG C22:0	437.3603	7.57	HMDB0011552
MAG C22:1	435.3448	7.71	HMDB0011582
DAG C30:0	558.5092	9.19	HMDB0007011
DAG C30:2	554.4774	8.62	HMDB0007041
DAG C31:0	572.5248	9.42	HMDB0007069
DAG C31:2	568.4931	8.86
DAG C32:0	586.5406	9.59	HMDB0007013
DAG C32:2	582.509	9.1	HMDB0056136
DAG C33:0	600.5564	9.83
DAG C33:2	596.525	9.32	HMDB0007074
DAG C34:0	614.5711	10.01	HMDB0007020
DAG C34:1	612.5554	9.76	HMDB0007021
DAG C34:2	610.5399	9.53	HMDB0007022
DAG C36:0	642.6024	10.38	HMDB0007028
DAG C36:1	640.587	10.17	HMDB0007216
DAG C36:2	638.5714	9.9	HMDB0007218
TAG C42:0	740.6753	11.21	HMDB0042061
TAG C43:0	754.6898	11.35	HMDB0042091
TAG C44:0	768.7059	11.53	HMDB0042121
TAG C44:1	766.6899	11.32	HMDB0042301
TAG C45:0	782.7215	11.66	HMDB0042989
TAG C45:1	780.7053	11.46	HMDB0042099
TAG C46:0	796.7374	11.84	HMDB0042151
TAG C46:1	794.7216	11.64	HMDB0042331
TAG C46:2	792.7056	11.45	HMDB0047793
TAG C47:0	810.753	11.99	HMDB0043857
TAG C47:1	808.7358	11.79	HMDB0042100
TAG C47:2	806.7206	11.59	HMDB0048435
TAG C48:0	824.7684	12.18	HMDB0042103
TAG C48:1	822.7537	11.97	HMDB0005356
TAG C48:2	820.7373	11.76	HMDB0047816
TAG C49:0	838.7843	12.35	HMDB0042095
TAG C49:1	836.7679	12.11	HMDB0042095
TAG C49:2	834.753	11.9
TAG C50:0	852.7986	12.54	HMDB0043913
TAG C50:1	850.7829	12.3	HMDB0043279
TAG C50:2	848.7684	12.03	HMDB0048479
TAG C52:0	880.8301	12.95	HMDB0063491
TAG C52:1	878.8149	12.65	HMDB0043337
TAG C52:2	876.7998	12.39	HMDB0049741
TAG C52:3	874.7827	12.12	HMDB0049861
TAG C54:3	902.8162	12.48	HMDB0045100
TAG C54:4	900.8022	12.22	HMDB0045316
TAG C54:5	898.7845	11.95	HMDB0050161
METABOLITES_END
#END