#METABOLOMICS WORKBENCH Hx_241010_CR_20241010_111331 DATATRACK_ID:5280 STUDY_ID:ST003517 ANALYSIS_ID:AN005774 PROJECT_ID:PR002162 VERSION 1 CREATED_ON October 11, 2024, 11:50 am #PROJECT PR:PROJECT_TITLE Cancer-associated fibroblasts maintain critical pancreatic cancer cell lipid PR:PROJECT_TITLE homeostasis in the tumor microenvironment PR:PROJECT_SUMMARY Pancreatic ductal adenocarcinoma (PDAC) is an aggressive malignancy with PR:PROJECT_SUMMARY abundant cancer-associated fibroblasts (CAFs) creating hallmark desmoplasia that PR:PROJECT_SUMMARY limits oxygen and nutrient delivery. This study explores the importance of lipid PR:PROJECT_SUMMARY homeostasis under stress. Exogenous unsaturated lipids, rather than de novo PR:PROJECT_SUMMARY synthesis, sustain PDAC cell viability by relieving endoplasmic reticulum (ER) PR:PROJECT_SUMMARY stress under nutrient scarcity. Furthermore, CAFs are less hypoxic than adjacent PR:PROJECT_SUMMARY malignant cells in vivo, nominating them as a potential source of unsaturated PR:PROJECT_SUMMARY lipids. CAF conditioned medium promotes PDAC cell survival upon nutrient and PR:PROJECT_SUMMARY oxygen deprivation, an effect reversed by delipidation. Lysophosphatidylcholines PR:PROJECT_SUMMARY (LPCs) are particularly enriched in CAF conditioned medium and preferentially PR:PROJECT_SUMMARY taken up by PDAC cells, where they are converted to phosphatidylcholine (PC) to PR:PROJECT_SUMMARY sustain membrane integrity. Blocking LPC to PC conversion inhibits PDAC cell PR:PROJECT_SUMMARY survival and increases ER stress. These findings reveal a critical lipid PR:PROJECT_SUMMARY “cross-feeding” mechanism that promotes PDAC cell survival, offering a PR:PROJECT_SUMMARY potential metabolic target for treatment. PR:INSTITUTE University of Pennsylvania PR:LAST_NAME Han PR:FIRST_NAME Xu PR:ADDRESS 421 Curie Blvd, #438 PR:EMAIL Xu.Han@pennmedicine.upenn.edu PR:PHONE 213-806-0245 #STUDY ST:STUDY_TITLE Identify key lipid species in CAF-PDAC crosstalk under hypoxia ST:STUDY_SUMMARY This study ran lipidomic profiling to identify the lipids enriched in ST:STUDY_SUMMARY CAF-conditioned media and depleted in PDAC cell culture under hypoxia at 72 ST:STUDY_SUMMARY hours. ST:INSTITUTE University of Pennsylvania ST:LAST_NAME Han ST:FIRST_NAME Xu ST:ADDRESS 421 Curie Blvd, #438, Philadelphia, PA 19104 ST:EMAIL Xu.Han@pennmedicine.upenn.edu ST:PHONE 2138060245 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - Basemedia Factor:0.5% FBS in DMEM | Sample source:media RAW_FILE_NAME(Raw file name)=0302_LP-05_FBS.mzML SUBJECT_SAMPLE_FACTORS - Pre-PSC CM_Norm Factor:5X concerntrated conditioned meida from PSC under 48H normoxic culture | Sample source:media RAW_FILE_NAME(Raw file name)=0302_LP-PRE-PDAC-norm.mzML SUBJECT_SAMPLE_FACTORS - Pre-PSC CM_Hypo Factor:5X concerntrated conditioned meida from PSC under 48H hypoxic culture | Sample source:media RAW_FILE_NAME(Raw file name)=0302_LP-PRE-PDAC-hypox.mzML SUBJECT_SAMPLE_FACTORS - Post-PSC CM_Norm_1 Factor:Conditioned media (sample #3) after PANC1 cell culture after 72H under SO | Sample source:media RAW_FILE_NAME(Raw file name)=0302_LP-POSTD-PDAC-m-norm-01.mzML SUBJECT_SAMPLE_FACTORS - Post-PSC CM_Norm_2 Factor:Conditioned media (sample #3) after PANC1 cell culture after 72H under SO | Sample source:media RAW_FILE_NAME(Raw file name)=0302_LP-POSTD-PDAC-m-norm-02.mzML SUBJECT_SAMPLE_FACTORS - Post-PSC CM_Norm_3 Factor:Conditioned media (sample #3) after PANC1 cell culture after 72H under SO | Sample source:media RAW_FILE_NAME(Raw file name)=0302_LP-POSTD-PDAC-m-norm-02.mzML SUBJECT_SAMPLE_FACTORS - Post-PSC CM_Hypo_1 Factor:Conditioned media (sample #4) after PANC1 cell culture after 72H under SO | Sample source:media RAW_FILE_NAME(Raw file name)=0302_LP-POSTD-PDAC-m-hypo-01.mzML SUBJECT_SAMPLE_FACTORS - Post-PSC CM_Hypo_2 Factor:Conditioned media (sample #4) after PANC1 cell culture after 72H under SO | Sample source:media RAW_FILE_NAME(Raw file name)=0302_LP-POSTD-PDAC-m-hypo-02.mzML SUBJECT_SAMPLE_FACTORS - Post-PSC CM_Hypo_3 Factor:Conditioned media (sample #4) after PANC1 cell culture after 72H under SO | Sample source:media RAW_FILE_NAME(Raw file name)=0302_LP-POSTD-PDAC-m-hypo-03.mzML #COLLECTION CO:COLLECTION_SUMMARY Media were collected after PSC culture under normoxia or hypoxia at 48 hours, CO:COLLECTION_SUMMARY and concentrated for LC-MS. PDAC supernatant is collected after culturing under CO:COLLECTION_SUMMARY hypoxia at 72 hours. CO:SAMPLE_TYPE Media #TREATMENT TR:TREATMENT_SUMMARY human CAFs were seeded in DMEM containing 10% FBS. Cell culture media were TR:TREATMENT_SUMMARY changed to DMEM with 0.5% BSA (Sigma, A1595) at 80% confluency and cultured for TR:TREATMENT_SUMMARY 48 hours under 21% O2 or 0.5% O2. Conditioned media were collected and TR:TREATMENT_SUMMARY centrifuged at 300 x g to remove cell debris and transferred to 3KDa Amicon TR:TREATMENT_SUMMARY Ultra Centrifugal Filter (Millipore, UFC900308) and concentrated ~30-fold. TR:TREATMENT_SUMMARY Control medium was collected and concentrated from 0.5% BSA, DMEM. Concentrated TR:TREATMENT_SUMMARY conditioned media or control media were resuspended in DMEM with 0.5% FBS and TR:TREATMENT_SUMMARY applied to PDAC cell culture with indicated conditions. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For media extraction, 1mL media was spiked with same internal standards as the SP:SAMPLEPREP_SUMMARY cells. 5mL methyl tert-butyl ether (MTBE) was added to each of the tubes. After SP:SAMPLEPREP_SUMMARY vortexing and shaking, to each tube was added 1.2mL water, vortexed and SP:SAMPLEPREP_SUMMARY centrifuged at 300 x g. The top layer was moved to clean glass Pyrex tubes and SP:SAMPLEPREP_SUMMARY dried down under nitrogen. To each tube was added with 100µL of MTBE/MeOH=1/3, SP:SAMPLEPREP_SUMMARY vortexed for 30 seconds, spined for 10 minutes at room temperature at 300 x g. SP:SAMPLEPREP_SUMMARY Samples were analysed with a Dionex 3000 coupled to QE Exactive-HF mass SP:SAMPLEPREP_SUMMARY spectrometer (Thermo Fisher Scientific), exactly as described in PMCID: SP:SAMPLEPREP_SUMMARY PMC9399481. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Thermo Accucore C18 (100 x 2.1mm,2.6um) CH:SOLVENT_A water:acetonitrile (4:6 v/v) with 0.1% formic acid and 10 mM ammonium formate CH:SOLVENT_B acetonitrile:isopropanol (1:9 v/v) with 0.1% formic acid and 10 mM ammonium CH:SOLVENT_B formate CH:FLOW_GRADIENT 10 % B at 0 min, 10 % B at 1 min, 40 % B at 4 min, 75 % B at 12 min, 99 % B at CH:FLOW_GRADIENT 21 min, 99 % B at 24 min, 10 % B at 24.5 min, 10 % at 30 min. CH:FLOW_RATE 0.4 ml/min CH:COLUMN_TEMPERATURE 55 °C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS For the HRMS analysis, a recently calibrated QE Exactive-HF mass spectrometer MS:MS_COMMENTS (Thermo Fisher Scientific) was used in positive ion mode with an HESI source. MS:MS_COMMENTS The operating conditions were: spray voltage at 3.5 kV; capillary temperature at MS:MS_COMMENTS 285°C; auxiliary temperature 370°C; tube lens 45. Nitrogen was used as the MS:MS_COMMENTS sheath gas at 45 units, the auxiliary gas at 10 units and sweep gas was 2 units. MS:MS_COMMENTS Same MS conditions were used in negative ionization mode, but with a spray MS:MS_COMMENTS voltage at 3.2 kV. Control extraction blanks were made in the same way using MS:MS_COMMENTS just the solvents instead of the tissue homogenate. The control blanks were used MS:MS_COMMENTS for the exclusion list with a threshold feature intensity set at 1e10^5. MS:MS_COMMENTS Untargeted analysis and targeted peak integration was conducted using MS:MS_COMMENTS LipidsSearch 4.2 (Thermo Fisher Scientific) as described by Wang et al ( DOI: MS:MS_COMMENTS 10.4155/bio-2021-0098). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AUC MS_METABOLITE_DATA_START Samples Basemedia Pre-PSC CM_Norm Pre-PSC CM_Hypo Post-PSC CM_Norm_1 Post-PSC CM_Norm_2 Post-PSC CM_Norm_3 Post-PSC CM_Hypo_1 Post-PSC CM_Hypo_2 Post-PSC CM_Hypo_3 Factors Factor:0.5% FBS in DMEM | Sample source:media Factor:5X concerntrated conditioned meida from PSC under 48H normoxic culture | Sample source:media Factor:5X concerntrated conditioned meida from PSC under 48H hypoxic culture | Sample source:media Factor:Conditioned media (sample #3) after PANC1 cell culture after 72H under SO | Sample source:media Factor:Conditioned media (sample #3) after PANC1 cell culture after 72H under SO | Sample source:media Factor:Conditioned media (sample #3) after PANC1 cell culture after 72H under SO | Sample source:media Factor:Conditioned media (sample #4) after PANC1 cell culture after 72H under SO | Sample source:media Factor:Conditioned media (sample #4) after PANC1 cell culture after 72H under SO | Sample source:media Factor:Conditioned media (sample #4) after PANC1 cell culture after 72H under SO | Sample source:media AcCa(14:0) 92574.0741 78674.556 643206.0294 546399.9579 621252.4575 581334.7125 698006.1321 639422.4528 48014.7543 AcCa(18:0) 895183.4973 965608.2627 845047.2249 878478.255 986712.552 942278.469 968795.8116 998295.0288 598941.5907 AcCa(18:1) 443255.0862 504744.2892 170094.4902 216365.3826 272365.1442 211690.1907 130110.5625 277683.7245 3787.9311 AcCa(20:3) 2956229.657 3172934.868 3374652.767 3075853.301 2885640.656 2917525 3353015.098 3166987.774 2867385.592 AcCa(22:3) 7677230.211 8057016.008 7920410.058 8095448.615 7615488.308 7787938.238 7714696.131 8446451.401 7497722.283 Cer(d18:0_16:0) 80476.84376 101497.3712 282280.6373 253749.7186 260754.281 199155.896 202891.7288 246063.6413 41382.15928 Cer(d18:1_16:0) 402623.1725 404076.0451 640866.2317 521619.9157 706048.702 531454.6793 546789.2061 591957.9394 98518.60698 Cer(d18:1_24:0) 411013.2578 422914.8319 645099.0727 463212.13 562086.3939 629015.3782 635954.5392 530014.216 391276.8054 Cer(d18:2_24:0) 51111.78872 14480.86515 51025.88672 9174.015291 7539.54664 31137.17275 20928.30372 50585.30596 0 Hex1Cer(d18:1_16:0) 29148.28326 38276.80322 300177.4875 277493.6028 376143.0137 101096.1099 204285.0694 304047.1431 7684.879586 LPC(14:0) 898431.1827 774306.737 63086.78113 63139.17139 91148.85088 48168.63025 56882.29902 59473.01082 159710.6837 LPC(15:0) 18267253.12 28082282.39 2405252.717 2200322.445 3133714.125 2179715.129 2337521.007 2201972.519 46858590.37 LPC(16:0) 57717540.49 46064606.12 942409.8239 1032057.165 2608265.397 738957.6147 889154.7113 1305003.924 10837963.81 LPC(16:1) 3629213.243 2813121.064 3553.541451 15608.56272 68134.51367 5798.488537 8868.31511 12479.17536 560618.1203 LPC(16:1e) 1489360.424 1259198.86 161139.2949 164440.6621 213799.0655 130904.3284 151335.7037 196959.522 307978.3943 LPC(17:0) 2250904.465 1986477.059 2803.680669 5431.557768 92160.78046 3181.992304 7510.427811 24908.51486 541790.3059 LPC(17:1) 1180094.431 906205.5716 6463.447389 6655.232482 42297.78098 3566.860249 6772.059125 11641.58635 302958.427 LPC(18:0) 36895840.15 35602465.22 570611.4866 722909.6327 1866197.702 571422.3961 626493.4267 972506.8507 8310522.496 LPC(18:1) 49322978.65 38019771.76 121402.546 497080.2647 2331434.829 157997.5358 367416.857 629661.5303 10461421.51 LPC(18:2) 3090355.648 2377712.831 37071.47762 26080.62641 81670.96096 17567.16159 47768.26752 40023.63961 823096.3089 LPC(18:3) 2221033.301 1867244.608 11331.06925 11519.86033 62120.02464 5411.965753 7055.128769 21412.53895 474553.0938 LPC(19:1) 328574.2567 279998.1523 3551.167117 1316.388933 980.4645334 1068.021082 4838.332933 2087.317338 108728.2129 LPC(20:1) 1037265.519 991680.9842 46227.60508 59376.85235 91163.30531 43294.79312 54967.65397 66365.72361 249883.7486 LPC(20:3) 1925974.583 1440598.202 758.6159189 1415.740334 39019.97813 1022.151321 0 12812.78274 847624.9539 LPC(20:4) 6690219.151 4779825.25 8975.794823 20549.70189 222929.6833 8767.008576 12946.66501 44707.44166 1958784.614 LPC(20:5) 411858.4092 254578.1534 0 0 2496.946946 0 0 307.7479835 123611.5011 LPC(22:5) 2061802.629 1622409.579 862.4211256 2575.468032 35703.71247 1583.655318 875.1296505 9442.071281 1225643.828 LPC(22:6) 1649256.883 1408378.405 6410.548246 1263.390717 32348.51309 6784.969245 8801.965948 12748.46582 1383978.322 LPC(24:0) 863022.8471 931126.3549 779404.4648 796527.3971 807512.7769 929851.9189 965181.1947 1128882.534 7273.169099 LPE(18:1) 146285.3989 246443.5738 1815.71896 3021.499375 5590.158905 1409.70442 0 7003.557268 0 LPE(20:4) 150849.54 183440.519 3073.213667 1520.09794 20121.54349 2174.756846 2633.815255 7234.738873 4870.841008 PC(16:0_16:0)) 7587181.99 5847025.775 11650703.81 12349975.6 13364389.16 10182379.06 11448154.04 11011436.89 6109566.11 PC(16:0_16:1) 8764359.183 7530745.992 13725764.45 14143487.78 17106137.39 13517520.62 14093202.46 15054830.47 2609797.567 PC(18:0_16:0) 1889014.809 1736710.021 2862099.376 2671860.988 2911179 2582143.892 2772757.019 2868643.562 1858626.246 PC(16:0_18:1) 33208247.41 26329132.8 33081825.53 33923388.57 25604175.09 28945074.19 31201164.59 31618408.71 23692797.45 PC(16:1_18:1) 4872867.007 4820737.427 5310773.953 4819197 6018699.759 5027751.856 5258152.505 5743391.209 2680778.633 PC(18:0_18:1) 15331998.16 14215813.47 14425868.65 13398923.07 14924982.66 12721139.13 13576613.72 14671114.52 16016332.95 PC(18:1_18:1) 11265925.23 10284653.36 10750673.59 10301876.97 12244903.19 10059950.73 10609264.62 10875102.23 7924926.858 PC(18:1_18:2) 3558937.189 2198579.164 1718068.041 1814235.05 2583804.592 1601454.805 1931224.747 1713501.542 3296920.857 PC(16:0_20:4) 2700582.974 2490605.104 1989856.994 2065195.573 2587091.328 1917684.682 1973060.603 2183728.48 2845087.98 PC(16:0e_20:5) 19744.0105 0 189094.9467 149552.3177 872529.8341 219809.837 56705.4428 384366.1178 0 PC(20:2_18:2) 1325408.966 901193.4051 454698.5515 704964.3727 651744.4064 950420.7055 1068085.999 1315150.254 899765.467 PC(18:0_20:4) 6417918.954 5252248.44 4293147.657 4487123.577 4785549.008 3464648.818 3888266.54 4193430.416 7834713.294 PC(18:1_20:4) 4558709.756 4348754.799 2859462.069 2693879.402 3192656.64 2566876.577 2972916.897 2905239.518 5605082.405 PE(16:0p_18:1) 54548.65798 19226.76854 663312.3119 662373.3565 599465.9115 520161.0327 480062.4672 631050.7722 2899.897601 PE(18:0_18:1) 112196.638 87032.5531 471167.7814 472895.399 489744.0668 306907.4856 329655.9476 468296.251 6952.185988 PE(16:0_20:4) 17190.41444 19543.58948 121210.3726 105922.5894 97440.92492 72605.84343 74465.92285 88551.92378 2601.773129 PE(16:0p_20:4) 249030.5257 163304.3096 867431.945 861256.1236 891101.9565 653931.7539 687605.7326 721358.1391 0 PE(18:0_20:4) 143313.2007 83340.26074 180430.857 178919.2241 179381.2624 110647.1351 125090.1611 160144.7455 4038.145843 PE(16:0p_22:4) 22057.40779 4371.489445 184361.067 162612.3331 172987.2492 122195.5101 109603.3028 133829.1276 0 PE(18:0p_20:4) 223647.1093 122494.8727 380081.1979 395830.6422 399621.7609 243291.6519 281791.6884 318793.4955 0 PE(18:1p_20:4) 158645.4846 58518.25513 490802.7288 487024.6942 515277.1766 299225.4194 323182.8453 491611.8506 0 PI(18:0_20:4)+NH4 15091.3899 33070.6206 115068.4086 119379.6063 94150.0917 64754.4714 134520.5385 149793.2055 0 PI(18:0_20:4)+NH4-2 14633.02056 34234.47246 132481.6907 120890.3269 80991.31823 73763.05847 124636.4939 138217.0377 0 PS(18:0_18:1) 80792.61799 311208.6775 1320961.719 1216298.984 1329704.81 1046397.98 1005250.77 1157278.247 0 PS(18:0_18:2) 148037.0754 144360.5824 357681.4798 323566.241 424546.2637 316074.2631 225100.2588 329591.1775 5604.670747 PS(18:0_20:4) 134966.5692 95193.64963 219046.0681 218267.0193 255042.706 133197.4662 157717.2362 168340.011 4208.878641 PS(18:0_22:5) 82340.55211 152452.4142 416420.6641 236321.515 286771.7672 256654.9153 234223.6886 192188.154 139649.5454 SM(d32:0) 169398.0805 133912.8633 692231.9971 727526.8364 665435.4953 543419.3201 510004.1778 619649.3202 4859.133519 SM(d32:1) 1635706.865 1797563.188 1731955.499 1771080.874 1588038.914 1514795.053 1593966.84 1699690.431 305840.6527 SM(d34:0) 2042174.054 1867722.858 9862885.212 10785662.06 10548700.34 6601980.113 7986913.928 9392082.144 919200.0019 SM(d34:1) 20620638.88 19830326.95 22584177.36 22899832.31 23947732.21 19370599.46 19548715.63 22752447.35 11729399.06 SM(d34:2) 6108726.62 6327011.051 4571945.505 4926920.44 4405304.181 4019901.731 3991531.517 4587013.225 886190.5396 SM(d36:0) 53105.93933 54104.44443 213529.8172 188223.6057 184595.1382 125488.4197 125670.831 167007.1107 42167.28781 SM(d36:1) 1616009.431 2014111.009 920128.6335 1284138.707 1058933.732 1119331.727 1284803.472 1297979.434 2301787.274 SM(d36:2) 1023691.95 814092.1286 584434.4058 640018.8469 704598.6547 570877.8239 482069.8236 615975.8565 734443.7748 SM(d38:1) 505172.802 405959.9285 279231.0983 281479.8413 258889.2838 185776.9434 210656.2194 270722.353 545112.9181 SM(d40:1) 2386731.317 2231366.091 1781882.196 1732063.468 1648718.281 1438729.824 1379177.234 1544686.065 2812036.954 SM(d40:2) 930057.0504 721541.5761 573489.5715 558466.7453 567048.3076 463909.09 533143.3921 574054.2519 1023293.526 SM(d42:1) 1844963.894 1678631.966 1970161.089 1918786.529 1933784.066 1611519.74 1518451.174 1772123.625 1752051.429 SM(d42:2) 2930804.299 2530510.033 3661232.982 3421518.732 3415583.291 2668645.423 2827163.645 3095909.143 3153819.292 SM(d42:3) 1264102.432 1174667.516 1200718.583 1164170.59 1044841.802 912467.6317 853085.0379 1020186.698 1332204.581 TG(16:0_16:0_16:0)+NH4 1302361.886 1097908.372 707709.9555 762736.8208 1368835.972 1009583.195 1132156.288 479411.584 1280647.629 TG(18:0_16:0_16:0)+NH4 1562836.622 725931.9541 830901.1385 1064650.929 2979593.301 820598.3909 866396.403 444740.6933 1695613.201 TG(16:0_16:0_18:1)+NH4 1601883.08 1039175.508 675279.5213 545290.2983 799115.7725 1188711.026 2536520.931 480071.4738 1312250.066 TG(18:0_16:0_18:1)+NH4 933704.9068 329860.7164 300542.139 342963.1092 498735.4577 372895.1684 1092874.597 237360.4327 594548.0802 TG(16:0_18:1_18:1)+NH4 2178564.457 1128651.553 840759.9921 795954.2263 1108467.798 1000080.235 3018227.713 637804.0279 1510799.723 TG(16:0_18:1_18:2)+NH4 1657863.35 813640.7451 442063.3315 363413.0231 481465.1418 674688.0768 2130458.138 231647.4754 751718.057 TG(18:0_18:1_18:1)+NH4 484676.725 79210.75636 145356.5674 191943.6964 246585.3375 200800.0142 614615.9664 66501.85498 213870.2116 TG(18:1_18:1_18:1)+NH4 1084228.651 529391.1822 420508.9467 405771.317 599530.8678 463925.439 1369891.212 341270.0802 712349.554 TG(18:0_18:1_20:4)+NH4 2900.188239 1686.262216 1782.596967 1402.654402 4294.679483 0 4626.990945 2518.737871 7856.512658 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name AcCa(14:0) AcCa(18:0) AcCa(18:1) AcCa(20:3) AcCa(22:3) Cer(d18:0_16:0) Cer(d18:1_16:0) Cer(d18:1_24:0) Cer(d18:2_24:0) Hex1Cer(d18:1_16:0) LPC(14:0) LPC(15:0) LPC(16:0) LPC(16:1) LPC(16:1e) LPC(17:0) LPC(17:1) LPC(18:0) LPC(18:1) LPC(18:2) LPC(18:3) LPC(19:1) LPC(20:1) LPC(20:3) LPC(20:4) LPC(20:5) LPC(22:5) LPC(22:6) LPC(24:0) LPE(18:1) LPE(20:4) PC(16:0_16:0)) PC(16:0_16:1) PC(18:0_16:0) PC(16:0_18:1) PC(16:1_18:1) PC(18:0_18:1) PC(18:1_18:1) PC(18:1_18:2) PC(16:0_20:4) PC(16:0e_20:5) PC(20:2_18:2) PC(18:0_20:4) PC(18:1_20:4) PE(16:0p_18:1) PE(18:0_18:1) PE(16:0_20:4) PE(16:0p_20:4) PE(18:0_20:4) PE(16:0p_22:4) PE(18:0p_20:4) PE(18:1p_20:4) PI(18:0_20:4)+NH4 PI(18:0_20:4)+NH4-2 PS(18:0_18:1) PS(18:0_18:2) PS(18:0_20:4) PS(18:0_22:5) SM(d32:0) SM(d32:1) SM(d34:0) SM(d34:1) SM(d34:2) SM(d36:0) SM(d36:1) SM(d36:2) SM(d38:1) SM(d40:1) SM(d40:2) SM(d42:1) SM(d42:2) SM(d42:3) TG(16:0_16:0_16:0)+NH4 TG(18:0_16:0_16:0)+NH4 TG(16:0_16:0_18:1)+NH4 TG(18:0_16:0_18:1)+NH4 TG(16:0_18:1_18:1)+NH4 TG(16:0_18:1_18:2)+NH4 TG(18:0_18:1_18:1)+NH4 TG(18:1_18:1_18:1)+NH4 TG(18:0_18:1_20:4)+NH4 METABOLITES_END #END