#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