#METABOLOMICS WORKBENCH mhandzlik_20221111_115434 DATATRACK_ID:3568 STUDY_ID:ST002343 ANALYSIS_ID:AN003827 PROJECT_ID:PR001502 VERSION 1 CREATED_ON November 14, 2022, 8:57 am #PROJECT PR:PROJECT_TITLE Serine and lipid metabolism PR:PROJECT_SUMMARY We analyzed paw skin sphingolipids in mice (C57BL/6J) in response to two dietary PR:PROJECT_SUMMARY interventions. The first was: 1) low fat (LFD), 2) serine/glycine-free LFD (-SG PR:PROJECT_SUMMARY LFD), high fat (HFD), and serine/glycine-free HFD (-SG HFD). And the second was: PR:PROJECT_SUMMARY 1) low fat (LFD), high fat (HFD), serine/glycine-free HFD (-SG HFD), and PR:PROJECT_SUMMARY serine/glycine-free HFD (-SG HFD) with myriocin (0.3 mg/kg every other day) PR:PROJECT_SUMMARY treatment. The goal of the study was to determine the impact of dietary PR:PROJECT_SUMMARY serine/glycine restriction and myriocin treatment on the hepatic lipidome. PR:INSTITUTE Salk Institute for Biological Studies PR:DEPARTMENT Molecular and Cell Biology Laboratory PR:LABORATORY Metallo Lab PR:LAST_NAME Handzlik PR:FIRST_NAME Michal PR:ADDRESS 10010 N Torrey Pines Rd, La Jolla, California, 92037, USA PR:EMAIL mhandzlik@salk.edu PR:PHONE 2069601945 PR:FUNDING_SOURCE R01CA234245 #STUDY ST:STUDY_TITLE The impact of myriocin and dietary serine restriction on paw skin sphingolipid ST:STUDY_TITLE diversity ST:STUDY_SUMMARY We analyzed paw skin polar and lipid metabolites in mice (C57BL/6J) in response ST:STUDY_SUMMARY to two dietary interventions. The first was: 1) low fat (LFD), 2) ST:STUDY_SUMMARY serine/glycine-free LFD (-SG LFD), high fat (HFD), and serine/glycine-free HFD ST:STUDY_SUMMARY (-SG HFD). And the second was: 1) low fat (LFD), high fat (HFD), ST:STUDY_SUMMARY serine/glycine-free HFD (-SG HFD), and serine/glycine-free HFD (-SG HFD) with ST:STUDY_SUMMARY myriocin (0.3 mg/kg every other day) treatment. The goal of the study was to ST:STUDY_SUMMARY determine the impact of dietary serine/glycine restriction and myriocin ST:STUDY_SUMMARY treatment on the hepatic lipidome. ST:INSTITUTE Salk Institute for Biological Studies ST:DEPARTMENT Molecular and Cell Biology Laboratory ST:LABORATORY Metallo Lab ST:LAST_NAME Handzlik ST:FIRST_NAME Michal ST:ADDRESS 10010 N Torrey Pines Rd, La Jolla, California, 92037, USA ST:EMAIL mhandzlik@salk.edu ST:PHONE 2069601945 ST:NUM_GROUPS LFD, -SG LFD, HFD, -SG HFD, LFD+Veh, HFD+Veh, -SG HFD+Veh, -SG HFD+Myr ST:TOTAL_SUBJECTS 47 ST:NUM_MALES 47 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL/6J SU:AGE_OR_AGE_RANGE 8-32-week-old SU:WEIGHT_OR_WEIGHT_RANGE 25-50 SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER JAX SU:ANIMAL_HOUSING 5/cage SU:ANIMAL_LIGHT_CYCLE 12h dark/12 h light SU:ANIMAL_FEED Special diets; see group labeling SU:ANIMAL_WATER Ad libitum #FACTORS #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 - 301 Group:Low fat diet + vehicle RAW_FILE_NAME=301.d SUBJECT_SAMPLE_FACTORS - 302 Group:Low fat diet + vehicle RAW_FILE_NAME=302.d SUBJECT_SAMPLE_FACTORS - 303 Group:Low fat diet + vehicle RAW_FILE_NAME=303.d SUBJECT_SAMPLE_FACTORS - 304 Group:Low fat diet + vehicle RAW_FILE_NAME=304.d SUBJECT_SAMPLE_FACTORS - 305 Group:Low fat diet + vehicle RAW_FILE_NAME=305.d SUBJECT_SAMPLE_FACTORS - 306 Group:Low fat diet + vehicle RAW_FILE_NAME=306.d SUBJECT_SAMPLE_FACTORS - 307 Group:Low fat diet + vehicle RAW_FILE_NAME=307.d SUBJECT_SAMPLE_FACTORS - 308 Group:Low fat diet + vehicle RAW_FILE_NAME=308.d SUBJECT_SAMPLE_FACTORS - 309 Group:Low fat diet + vehicle RAW_FILE_NAME=309.d SUBJECT_SAMPLE_FACTORS - 310 Group:Low fat diet + vehicle RAW_FILE_NAME=310.d SUBJECT_SAMPLE_FACTORS - 311 Group:Low fat diet + vehicle RAW_FILE_NAME=311.d SUBJECT_SAMPLE_FACTORS - 312 Group:Low fat diet + vehicle RAW_FILE_NAME=312.d SUBJECT_SAMPLE_FACTORS - 313 Group:High fat diet + vehicle RAW_FILE_NAME=313.d SUBJECT_SAMPLE_FACTORS - 314 Group:High fat diet + vehicle RAW_FILE_NAME=314.d SUBJECT_SAMPLE_FACTORS - 315 Group:High fat diet + vehicle RAW_FILE_NAME=315.d SUBJECT_SAMPLE_FACTORS - 316 Group:High fat diet + vehicle RAW_FILE_NAME=316.d SUBJECT_SAMPLE_FACTORS - 317 Group:High fat diet + vehicle RAW_FILE_NAME=317.d SUBJECT_SAMPLE_FACTORS - 318 Group:High fat diet + vehicle RAW_FILE_NAME=318.d SUBJECT_SAMPLE_FACTORS - 319 Group:High fat diet + vehicle RAW_FILE_NAME=319.d SUBJECT_SAMPLE_FACTORS - 320 Group:High fat diet + vehicle RAW_FILE_NAME=320.d SUBJECT_SAMPLE_FACTORS - 321 Group:High fat diet + vehicle RAW_FILE_NAME=321.d SUBJECT_SAMPLE_FACTORS - 322 Group:High fat diet + vehicle RAW_FILE_NAME=322.d SUBJECT_SAMPLE_FACTORS - 323 Group:High fat diet + vehicle RAW_FILE_NAME=323.d SUBJECT_SAMPLE_FACTORS - 324 Group:High fat diet + vehicle RAW_FILE_NAME=324.d SUBJECT_SAMPLE_FACTORS - 325 Group:Serine/glycine-free high fat diet + vehicle RAW_FILE_NAME=325.d SUBJECT_SAMPLE_FACTORS - 326 Group:Serine/glycine-free high fat diet + vehicle RAW_FILE_NAME=326.d SUBJECT_SAMPLE_FACTORS - 327 Group:Serine/glycine-free high fat diet + vehicle RAW_FILE_NAME=327.d SUBJECT_SAMPLE_FACTORS - 328 Group:Serine/glycine-free high fat diet + vehicle RAW_FILE_NAME=328.d SUBJECT_SAMPLE_FACTORS - 329 Group:Serine/glycine-free high fat diet + vehicle RAW_FILE_NAME=329.d SUBJECT_SAMPLE_FACTORS - 330 Group:Serine/glycine-free high fat diet + vehicle RAW_FILE_NAME=330.d SUBJECT_SAMPLE_FACTORS - 331 Group:Serine/glycine-free high fat diet + vehicle RAW_FILE_NAME=331.d SUBJECT_SAMPLE_FACTORS - 332 Group:Serine/glycine-free high fat diet + vehicle RAW_FILE_NAME=332.d SUBJECT_SAMPLE_FACTORS - 333 Group:Serine/glycine-free high fat diet + vehicle RAW_FILE_NAME=333.d SUBJECT_SAMPLE_FACTORS - 334 Group:Serine/glycine-free high fat diet + vehicle RAW_FILE_NAME=334.d SUBJECT_SAMPLE_FACTORS - 335 Group:Serine/glycine-free high fat diet + vehicle RAW_FILE_NAME=335.d SUBJECT_SAMPLE_FACTORS - 336 Group:Serine/glycine-free high fat diet + vehicle RAW_FILE_NAME=336.d SUBJECT_SAMPLE_FACTORS - 337 Group:Serine/glycine-free high fat diet + myriocin RAW_FILE_NAME=337.d SUBJECT_SAMPLE_FACTORS - 338 Group:Serine/glycine-free high fat diet + myriocin RAW_FILE_NAME=338.d SUBJECT_SAMPLE_FACTORS - 340 Group:Serine/glycine-free high fat diet + myriocin RAW_FILE_NAME=340.d SUBJECT_SAMPLE_FACTORS - 341 Group:Serine/glycine-free high fat diet + myriocin RAW_FILE_NAME=341.d SUBJECT_SAMPLE_FACTORS - 342 Group:Serine/glycine-free high fat diet + myriocin RAW_FILE_NAME=342.d SUBJECT_SAMPLE_FACTORS - 343 Group:Serine/glycine-free high fat diet + myriocin RAW_FILE_NAME=343.d SUBJECT_SAMPLE_FACTORS - 344 Group:Serine/glycine-free high fat diet + myriocin RAW_FILE_NAME=344.d SUBJECT_SAMPLE_FACTORS - 345 Group:Serine/glycine-free high fat diet + myriocin RAW_FILE_NAME=345.d SUBJECT_SAMPLE_FACTORS - 346 Group:Serine/glycine-free high fat diet + myriocin RAW_FILE_NAME=346.d SUBJECT_SAMPLE_FACTORS - 347 Group:Serine/glycine-free high fat diet + myriocin RAW_FILE_NAME=347.d SUBJECT_SAMPLE_FACTORS - 348 Group:Serine/glycine-free high fat diet + myriocin RAW_FILE_NAME=348.d #COLLECTION CO:COLLECTION_SUMMARY Paw skin samples were collected using Wollenberger clamps pre-cooled to the CO:COLLECTION_SUMMARY temperature of liquid nitrogen and stored at -80 C until analysis. CO:SAMPLE_TYPE Paw skin CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Animals were subjected to 4 different conditions for a period of 24 weeks: 1) TR:TREATMENT_SUMMARY low fat diet, 2) high fat diet, 3) serine/glycine-free high fat diet, and 4) TR:TREATMENT_SUMMARY serine/glycine-free high fat diet with myriocin. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were extracted with 400 ul of methanol (-20 C), 100 ul of water SP:SAMPLEPREP_SUMMARY (ice-cold), 400 saline (ice-cold), and 1000 ul of chloroform (-20 C). SP:PROCESSING_STORAGE_CONDITIONS Room temperature SP:EXTRACT_STORAGE 4℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The gradient elution program consisted of the following profile: 0 min, 82% B; 3 CH:CHROMATOGRAPHY_SUMMARY min, 82% B; 4 min, 90% B, 18 min, 99% B; 25 min, 99%, 27 min, 82% B, 30 min, 82% CH:CHROMATOGRAPHY_SUMMARY B. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 6460C CH:COLUMN_NAME Spectra 3 μm C8SR 150 × 3 mm inner diameter, Peeke Scientific CH:FLOW_RATE 0.5 ml/min CH:COLUMN_TEMPERATURE 40 CH:SOLVENT_A 100% HPLC-grade water containing 2 mM ammonium formate and 0.2% formic acid CH:SOLVENT_B 100% methanol containing 0.2% formic acid and 1 mM ammonium formate #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6460 QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Mass Hunter #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS normalized ion count/mg protein MS_METABOLITE_DATA_START Samples 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 340 341 342 343 344 345 346 347 348 Factors Group:Low fat diet + vehicle Group:Low fat diet + vehicle Group:Low fat diet + vehicle Group:Low fat diet + vehicle Group:Low fat diet + vehicle Group:Low fat diet + vehicle Group:Low fat diet + vehicle Group:Low fat diet + vehicle Group:Low fat diet + vehicle Group:Low fat diet + vehicle Group:Low fat diet + vehicle Group:Low fat diet + vehicle Group:High fat diet + vehicle Group:High fat diet + vehicle Group:High fat diet + vehicle Group:High fat diet + vehicle Group:High fat diet + vehicle Group:High fat diet + vehicle Group:High fat diet + vehicle Group:High fat diet + vehicle Group:High fat diet + vehicle Group:High fat diet + vehicle Group:High fat diet + vehicle Group:High fat diet + vehicle Group:Serine/glycine-free high fat diet + vehicle Group:Serine/glycine-free high fat diet + vehicle Group:Serine/glycine-free high fat diet + vehicle Group:Serine/glycine-free high fat diet + vehicle Group:Serine/glycine-free high fat diet + vehicle Group:Serine/glycine-free high fat diet + vehicle Group:Serine/glycine-free high fat diet + vehicle Group:Serine/glycine-free high fat diet + vehicle Group:Serine/glycine-free high fat diet + vehicle Group:Serine/glycine-free high fat diet + vehicle Group:Serine/glycine-free high fat diet + vehicle Group:Serine/glycine-free high fat diet + vehicle Group:Serine/glycine-free high fat diet + myriocin Group:Serine/glycine-free high fat diet + myriocin Group:Serine/glycine-free high fat diet + myriocin Group:Serine/glycine-free high fat diet + myriocin Group:Serine/glycine-free high fat diet + myriocin Group:Serine/glycine-free high fat diet + myriocin Group:Serine/glycine-free high fat diet + myriocin Group:Serine/glycine-free high fat diet + myriocin Group:Serine/glycine-free high fat diet + myriocin Group:Serine/glycine-free high fat diet + myriocin Group:Serine/glycine-free high fat diet + myriocin Cer 18:1/16:0 122.8549707 88.33579097 112.4814909 125.8680773 16.61904977 70.56769062 67.89730485 117.3052925 124.8330539 90.72538114 83.28451667 71.01015103 131.5844757 124.7331712 227.2147684 107.8224206 97.33688717 106.1117246 100.6719193 72.81809119 46.99339379 57.55803334 71.52773767 54.40182715 80.19039993 73.56075409 63.75748724 98.10150359 77.21868764 49.67664294 78.65036855 84.58148799 164.9450388 83.8915892 89.70858409 73.82067792 154.0514139 52.45938044 147.3897782 70.86690998 99.40270195 33.28447956 106.7975026 523.9056618 112.0053996 43.61773749 93.41285856 Cer 18:1/18:0 311.8740939 315.7944066 232.902512 234.2741685 263.5878847 297.5720503 218.2487886 310.766742 341.0132866 310.8086911 275.6685872 399.5215398 295.9085216 270.0883699 470.7214601 394.3638631 313.7816342 428.0567645 363.4587528 376.3504837 209.3689415 168.8744133 292.4307677 328.3793123 290.6883588 245.1738685 267.3651676 186.5634516 229.9410489 213.1323218 216.3967728 289.6204774 322.8987503 256.3850795 194.466568 204.3832538 127.8522869 90.25631301 140.0553595 126.7252691 138.4685195 78.48479052 141.7935566 269.2140479 127.7845295 88.07937515 115.7771241 Cer 18:1/20:0 469.1631422 600.6749667 156.5242307 434.81781 323.5749894 424.0250898 272.8651527 525.3372946 566.1479352 312.9049651 495.5870752 505.3754504 449.075857 358.6021424 943.1988663 497.3529764 381.9490797 612.9102583 600.0901746 462.2417274 261.4954977 153.1677134 543.7221901 417.6251119 441.871931 451.8017768 520.2858777 332.8817586 464.2449787 366.4543374 421.3315941 443.1893676 582.6079054 583.5182433 390.4761504 353.0487204 292.7004198 395.5138272 495.9695046 448.278154 505.3053791 68.87841922 467.6218192 731.3019586 540.5893323 305.8164375 436.3087555 Cer 18:1/22:0 558.5537467 695.0463182 192.9450214 498.770315 518.8749548 569.8691623 403.2671387 767.5221444 763.4138061 456.3002916 520.5586428 872.8285892 490.9161301 473.2598305 1064.940583 584.9354172 399.5090004 657.5292047 669.1726629 629.5559755 400.9844122 241.2875784 707.5168351 546.9847556 649.2992382 607.0168429 748.3969268 369.1886374 611.5567934 512.6719422 518.1086262 678.0702766 615.8126548 720.030555 571.8170768 373.6156371 308.6358305 492.3208079 579.5922699 450.5787347 508.3257851 108.5200563 438.7187592 713.4322807 550.6977316 360.0803002 484.1271684 Cer 18:1/22:1 9826.159863 11650.08288 4062.065791 7133.571261 8774.361796 8667.760414 6777.444612 12109.57531 8841.536604 8051.822411 8238.930341 12343.87343 6111.059413 4540.549131 8373.757886 5903.305862 2960.952156 8199.156584 8042.147553 6580.871836 5106.233399 2957.132357 6120.452236 6491.728015 7469.268161 6842.056358 5919.818995 3044.615583 6684.773209 8476.693124 6169.216094 8391.725687 6933.125723 7521.534144 5699.227094 4175.538402 241.463838 6351.181596 7537.574394 6199.839661 5982.904306 4397.212042 7369.190058 273.5176472 6245.540867 4061.729372 5475.283039 Cer 18:1/23:0 81.32521666 105.3489215 24.36714022 94.61417316 63.83701035 82.48436181 52.16079441 137.2848114 116.1733621 63.77086191 88.26423166 136.2852838 60.8557327 61.4408188 108.8570268 84.43309987 51.43142636 92.31419911 87.51454811 67.76566509 50.68458746 30.10367811 81.21933449 78.9154552 94.43910736 75.7638268 78.2089059 48.87635194 85.3560347 53.65108428 74.98308536 88.06731909 66.17429176 109.824992 67.47848969 64.14167592 44.64921658 66.77958444 81.84761083 47.37778687 59.94508649 13.71549047 65.32957571 87.32056201 60.21001612 46.06288413 52.33487328 Cer 18:1/24:0 756.5333758 789.5648785 314.5064479 695.5451825 479.4003565 599.6960967 373.5274612 1101.495788 990.334137 440.1496461 620.2989277 826.070302 517.6859731 579.6543141 1315.936211 820.4802065 422.0289745 849.0271866 849.7951094 669.2412036 370.3148448 214.5951525 750.6901446 575.7771006 651.0076104 580.572158 776.8751319 341.170508 574.7019305 502.2206335 568.7198406 813.4246976 727.609007 766.35307 522.6276491 367.8020759 258.7522552 440.8281163 570.1796215 368.4473564 556.0182812 131.4426762 468.0702883 698.4759447 445.3047969 395.1400245 396.9439103 Cer 18:1/24:1 755.218671 897.9315803 314.6074964 526.0580331 791.0859314 822.0779475 416.6203021 934.801448 907.9500425 526.2411584 749.2119078 1325.342132 713.0797353 478.8733139 782.396071 523.8349661 448.002677 639.3965051 710.5483605 774.8448036 498.058492 285.3699206 684.0596598 465.0539566 680.1235738 536.3622698 752.5457927 268.5630923 416.4111554 635.957098 431.5417976 733.6833061 579.91519 591.884718 440.4137063 434.053574 563.0010643 340.5506627 349.6188412 285.7424439 248.0579681 143.9358727 349.1873167 346.7850978 252.913233 249.3887283 250.1496056 DHCer 18:0/18:0 26.26546137 17.08628336 16.87623039 20.00597692 15.17255703 8.320262577 29.01184146 13.45503521 18.59953999 16.69857802 12.89935137 9.888737239 12.31553118 20.91254691 30.98596346 24.74752759 18.32780118 15.36284265 12.04680525 7.289107428 6.66072369 12.91591514 17.15203189 7.824826782 17.10817094 11.67164827 6.746503177 10.32786329 9.271676466 6.449672063 10.64784615 7.341908769 19.47289946 17.32872539 11.76255927 6.33849493 7.592737238 3.591348404 16.10578587 9.424497817 10.84446621 3.896788846 11.78906207 23.50920293 7.063540514 6.007788062 26.04999002 DHCer 18:0/20:0 30.71805679 20.87287033 24.66505267 24.02121903 21.51337618 7.562238245 39.73556999 16.27528574 24.37052852 21.03493489 15.593802 12.38613009 17.3054522 24.70424352 48.32774561 27.83138872 25.38274242 17.00150327 14.58940163 7.320753169 5.395773593 16.05279509 21.01416578 11.44628234 26.45468372 17.79172919 8.515832983 12.25389559 9.850821161 8.146784061 14.58641473 10.41462627 25.4775277 22.84414612 16.5782198 7.662184104 9.736641668 5.226937236 31.07405016 13.95345777 16.75404885 6.917063571 17.61288748 30.29022241 8.744619242 10.28122425 37.77686798 DHCer 18:0/22:0 11.77606911 8.416020751 9.505123261 7.426009473 8.72671721 4.986447061 9.145391774 18.07586778 11.72194576 7.523313066 6.480234736 6.706240942 9.174065037 9.671666958 19.72020309 10.71070691 8.020774095 7.616509189 8.700718485 5.300258897 4.468004448 5.468056185 9.619288148 6.287040194 9.8491409 8.991882015 6.293354113 4.981371565 6.082031995 6.452904421 5.39708553 8.981773721 11.39174928 10.18622765 9.06189014 3.403260796 3.343377997 2.889013273 13.54288493 4.719083412 7.377847786 2.394582132 10.33708533 12.49186667 4.450639897 3.73484513 6.197970329 DHCer 18:0/23:0 5.911968006 3.707610318 5.782375881 5.869963195 2.350033859 2.288562288 3.295694151 10.0638783 5.871800366 2.59885001 2.837381223 2.81032232 2.608700842 4.460874586 8.966486213 4.936769809 3.383900872 3.794222622 3.765991633 2.867104158 2.029124446 1.968248509 4.109688407 3.317040165 3.271603238 2.716751938 3.31036208 2.887014799 2.091402175 2.401392964 2.404709882 3.581149056 4.219587911 3.836086478 3.717613847 2.025430871 0.998144402 1.708018603 3.787271783 2.339207646 3.000638183 1.268193424 2.852489069 4.622925902 1.796785497 1.655839309 1.918923522 DHCer 18:0/24:0 4.533238977 2.904108753 11.21334595 7.990350712 6.99066131 2.737304169 3.174032548 17.23192508 7.241446678 3.45022298 3.107373133 5.124412669 6.223968746 5.143954779 24.64578428 6.217693094 3.500961695 3.499323031 4.99650596 3.062041924 1.971701575 3.428625147 4.047138373 2.561549498 5.485292799 6.866254986 4.450126741 2.893428649 2.592866899 4.678464486 3.146919665 11.44534535 8.288414089 7.355712311 5.281270366 2.001567179 1.599620113 1.48169504 9.864853218 3.27333176 4.796436406 2.445243583 9.606074149 11.34796785 3.115201218 3.110154518 3.323893638 DHCer 18:0/24:1 2.713323151 2.335247959 2.0673702 2.778809866 2.027256059 2.008791115 2.559938184 4.020908488 3.015057053 1.876415786 1.742187669 2.409829469 1.970743173 2.01261358 3.410944885 2.783413026 2.305060548 2.71501561 2.442325995 1.625440346 1.524615663 1.374957604 2.036088642 1.728719085 3.007094275 2.69510966 2.065398681 1.737058376 2.29525253 1.465501152 1.68142894 1.722587189 2.814531413 2.919555566 2.685214848 1.148291036 1.756123591 1.221415154 1.488480758 1.584926994 1.670043134 1.02317192 2.189478931 3.540920947 1.54649868 1.003443395 1.504929437 doxCer 18:1/18:0 18.58302646 23.34310867 10.26364733 12.88561766 14.99895372 28.18946939 13.16056967 12.78850579 28.69227195 24.90916685 20.68122675 32.43700334 29.62946752 23.7755229 34.14210348 47.50728066 11.57623205 41.38423954 38.8431762 36.9616547 29.3631683 16.05031506 48.89383355 36.67970255 57.98892557 55.6705537 72.82094923 28.67767789 71.951657 58.93484449 48.98055901 52.67210995 63.68434108 70.64133502 35.06182859 62.47845839 56.45727386 39.78434872 41.16626554 46.68181285 54.97993791 33.25991083 58.21592798 22.43007642 64.1802051 43.49331631 41.00945968 doxCer 18:1/20:0 127.162727 122.61441 57.65542538 79.04554736 101.3082641 102.0242553 70.65781459 123.5886041 112.8880537 118.6813592 111.6218525 157.5558053 154.6284575 80.9440752 171.001237 133.3409871 58.71338398 155.6994475 131.3221372 139.344333 71.69789363 52.75240069 126.2268438 112.8520325 193.5836018 191.4563934 208.0837219 105.4897156 159.0298816 198.5283804 128.3007819 218.6217106 177.7273263 215.8670565 133.2402924 155.1027345 271.9406525 176.6879007 286.8303281 156.9808063 222.7406969 146.0610673 203.3266094 139.0257401 210.8129697 181.7306552 168.0808494 doxCer 18:1/22:0 79.34849734 140.5107933 45.16870957 80.42743115 84.6979245 103.5520336 60.13738359 145.595323 128.6818058 83.59635212 110.41342 157.0137431 80.1007972 50.59331826 78.86639844 74.64504563 35.6108533 112.5477908 129.577884 107.0009115 57.01939061 31.14946345 99.62792033 76.29098932 191.1535897 170.3318948 190.3187795 69.70286547 171.7238559 182.0030717 130.5742268 175.0127615 174.0045662 201.8161827 117.522921 167.5383655 143.61003 149.974866 153.3300513 161.3048671 118.5366892 70.96676081 153.7398454 89.27754855 154.2276142 118.1622523 130.5724252 doxCer 18:1/22:1 34.9748782 36.08718422 15.60478589 18.36828646 28.90913322 38.61753603 33.37488369 50.19589378 44.18263146 47.51837315 35.53926887 37.52154698 54.67727381 58.94811813 94.69317052 66.59762964 34.88681866 61.13429261 76.00080007 64.9710419 37.49118907 30.54689189 63.79140992 81.03736377 64.23332035 63.92817021 88.60195409 37.61963406 60.23359019 62.55290317 32.53868052 66.55934053 65.49300232 79.22130827 29.99192424 46.25438743 84.13240811 54.18260834 131.9329453 31.83436713 69.16302374 39.19325781 56.27513931 32.83486907 55.74524729 48.54589808 45.76887442 doxCer 18:1/23:0 29.65078984 25.21476333 7.838481718 21.21281348 16.05288717 24.28775851 13.66612814 34.82548146 26.51651356 24.56968928 22.14918834 39.53801844 19.48510598 14.51131254 18.71070998 21.28436279 11.90912154 27.46999784 30.65021784 30.35402869 15.48575906 6.892223408 21.55033396 20.62578897 45.23504378 38.29596607 54.19281997 13.43830151 40.72979008 37.04830108 36.65929945 43.72113676 42.67791681 47.05641631 28.14832266 23.99345284 17.46608472 39.92244713 25.89127765 38.4461203 35.46839996 17.04455264 39.2719748 17.47119652 47.49999134 22.72038912 26.25776584 doxCer 18:1/24:0 44.86779896 70.75485507 24.56923736 33.84717955 76.03999186 45.8803593 32.66068204 85.00120409 53.20639433 41.74725443 36.68281906 127.7207007 73.13959437 20.62202756 108.6011936 46.30097787 15.97037333 66.36151223 49.92924678 46.24548766 21.03179295 12.39504629 48.05845543 44.56008013 80.05785382 87.85728977 91.30289361 21.07384423 81.72508443 155.0419492 78.27822727 189.3006623 77.98330865 114.5086166 51.66760223 57.31940403 68.68899986 58.28353049 101.9111862 63.9007256 52.05926228 33.81270714 128.0843202 31.22323311 72.77098944 46.23058224 55.5431175 doxCer 18:1/24:1 71.8425584 77.60006396 22.85141171 39.44650087 42.71479039 62.1139837 28.33534847 84.47675433 70.5951247 67.3099156 80.00796153 106.4935441 69.60159173 46.67434792 55.98095578 67.78774046 21.42143875 94.0399319 81.61092202 125.2528008 30.15809982 16.44870948 82.93246497 61.34688977 185.6234712 128.9656891 146.8809893 58.95349262 145.9555902 172.6673957 127.6715248 161.2617588 183.56695 237.7506586 92.7411751 136.8304419 97.06113749 107.6086776 108.3450388 95.74798113 88.06905577 53.86078635 141.8476821 49.89872903 143.3400823 92.08790094 100.5395215 doxDHCer 18:0/16:0 0.233493124 0.176552872 0.177722479 0.063690148 0.048438103 0.090238455 0.128634891 0.094206301 0.04025133 0.195227003 0.03999483 0.071093406 0.11949713 0.122312794 0.322010875 0.210101825 0.033886028 0.00946873 0.09315131 0.107135219 0.063681196 0.034146981 0.219208578 0.078658037 0.157117102 0.15731029 0.110367738 0.191633331 0.23149108 0.047242148 0.254044959 0.193466632 0.046594212 0.357048784 0.121917128 0.233416739 0.142785272 0.007476621 0.103642364 0.099862827 0.012303536 0.075045233 0.164902521 0.402992802 0.171586477 0.092152095 0.304925171 doxDHCer 18:0/18:0 1.546344314 1.5127176 0.645590368 1.187574054 1.192520374 1.392356992 1.246437967 1.233319742 1.425068356 1.422368166 1.319507722 1.367126188 1.368024074 1.153483168 1.549187689 2.048804332 1.514332526 2.126243159 1.568006833 2.053981221 1.280870396 1.258176991 1.848533027 1.937668227 4.256334065 4.308751453 3.696697023 2.819121847 3.733165988 4.519706006 4.128230585 3.603070449 4.544944047 5.602685224 3.390564216 3.636528387 1.927890988 2.116429052 2.570534178 3.23944166 3.508061913 2.061021457 3.302686861 1.824958936 3.066352731 2.65502035 1.999309528 doxDHCer 18:0/20:0 7.475674213 7.437683198 3.559161917 5.500618503 5.14729858 5.76332878 4.521508993 6.198990563 7.346295887 6.118190625 5.813940165 5.006871572 5.662768358 4.743463926 9.466677777 5.650816936 5.057286953 6.223465128 6.015861229 5.555841411 4.043097159 2.868140104 6.057810159 4.752219761 11.74236533 11.07373996 10.4604302 8.511961486 10.70339459 8.284159254 9.712362943 8.014026947 11.33444376 12.41553118 9.831698401 7.761218426 5.708319438 5.2619839 8.248982254 8.674283977 9.796593468 3.59566097 11.6705239 14.40238478 10.5935838 5.3524085 9.591047635 doxDHCer 18:0/22:0 10.0931013 11.010232 5.620809991 7.528379025 6.75104273 7.684971067 5.763941029 7.455389499 10.28513234 8.451887604 8.118736076 7.136000578 7.129355758 7.180228867 12.33363923 8.475353095 8.062766828 10.19998931 7.986156233 8.073231359 5.447267526 3.701904161 9.13211598 6.309780716 15.60175269 13.25670287 14.72983336 12.0624187 14.47742596 10.5515337 11.87224322 9.857388603 15.88501124 15.29678169 12.33608492 8.956491107 4.499958019 6.278492896 8.939026668 12.79724054 12.20458974 4.481052682 13.90142164 18.00929551 15.30425554 7.554511106 12.69668034 doxDHCer 18:0/23:0 2.181108108 2.235525632 0.777872441 1.578294206 1.609888216 1.581357015 1.001927817 2.12396069 1.883003697 1.619616153 1.505971554 1.785984835 1.768731967 1.19813068 3.275551666 1.669723815 1.339227694 1.726160813 1.689151801 1.334874904 1.051618091 0.547692821 1.854863619 1.165808778 2.84240232 3.059959706 2.666917211 2.031626182 2.462526579 2.618582522 2.229618111 2.742345569 2.431334186 3.529646029 2.206132048 1.691786625 0.717210999 1.177645766 2.307611651 2.064471905 2.167494524 0.546504484 3.503289929 3.084226111 2.194234548 1.235571198 1.963240463 doxDHCer 18:0/24:0 9.562184343 8.879865493 3.631193376 6.508900429 5.637252134 7.049679558 4.881300931 7.575374315 12.47277376 6.483719169 6.466509968 6.392008089 5.755574888 6.87504842 14.6630454 7.009500327 5.422899356 7.700815107 7.692464149 7.335597899 3.834266755 3.146577271 9.895472059 6.097535846 12.36032669 11.0304554 10.79459653 7.745741032 11.34210981 7.480421135 11.15718138 8.2858729 11.66930618 13.41552145 9.834736423 7.163731234 2.123423728 4.876314841 7.479382573 9.52187537 10.34481313 2.508688764 9.696948266 13.47875531 9.40530736 5.256931769 8.350911918 doxDHCer 18:0/24:1 2.778065163 2.859612851 1.254155221 1.650418209 1.928522344 2.531790615 1.905339409 2.646144328 3.134832287 2.546978101 2.641481612 2.799776798 2.403724014 2.078782796 3.075675921 2.340903192 2.267931838 2.780269988 2.414211675 2.664686489 1.595872725 1.29191132 2.638250827 1.922947309 6.016387701 4.668433194 5.663980413 3.951401073 4.776841678 3.917990229 4.382524608 3.479607509 6.981098324 6.332510696 5.005602926 3.780307132 2.06004948 2.35887408 2.702504324 4.608149819 4.697360563 2.405235241 4.601197625 5.078027881 4.527859979 3.042809323 3.920695103 Gluc/Gal-Cer 18:1/16:0 554.7416004 637.3536597 442.3018994 557.9100689 419.3789792 477.3988825 443.1614144 694.3162614 652.2375154 373.7716291 453.2456069 565.131972 476.4918567 376.5093277 813.0367165 381.5770386 252.0730722 555.8134334 610.8444547 380.7929228 307.3372587 222.695575 430.3368018 549.177249 589.064364 494.7307815 452.7762123 313.4081187 443.5631654 495.431451 512.0105049 479.6571065 494.4680025 570.6085149 563.3273165 526.3971771 594.1652725 386.6214122 740.221426 505.5876947 503.1072022 311.3920428 459.6487463 604.5906634 583.3810822 303.862117 543.3135329 Gluc/Gal-Cer 18:1/18:0 847.1413961 779.1869079 374.6127294 606.6661503 565.869571 600.9924266 673.9074128 746.5298052 747.0130256 627.3750818 522.7110441 602.8007886 565.7022594 451.1640678 709.0649829 477.097087 276.6711661 688.9747725 600.0758318 491.7332702 348.4549221 303.1285392 523.9865233 643.3316816 656.5714756 668.196748 506.6800263 348.4386148 531.1510666 601.0387319 614.4872119 517.2435562 626.4973741 691.0028893 537.8293209 575.2438164 524.1485802 413.3290155 608.9200421 616.5168975 492.1124841 327.2598148 550.972718 468.7608758 662.5551701 272.0372468 628.6862895 Gluc/Gal-Cer 18:1/20:0 724.7466276 793.0662472 308.7699738 493.3479852 517.9747499 653.5248695 561.3780039 701.6434244 654.0267441 652.4395139 523.6465356 632.5116854 477.3089062 406.4470485 629.6906263 443.6836074 252.0995598 665.2372898 607.1893888 463.4756402 309.3314785 206.9553986 460.8031637 580.1601199 626.4217028 565.3310444 458.5757246 279.9356156 495.0481227 618.7142213 548.2943467 452.7857377 542.3413957 664.6289988 465.2994865 481.707478 420.1571825 372.5361333 500.0571858 564.6974588 496.7531569 326.6365908 511.0798641 435.5747002 613.5514227 264.4322169 574.4545876 Gluc/Gal-Cer 18:1/22:0 2298.997319 2679.096466 773.2478808 1535.063897 1916.51725 1931.938442 1674.287199 2523.314284 2093.973861 1995.957092 1785.234712 2502.257181 1625.481941 1105.950394 2152.592964 1312.533386 740.0529891 2233.417319 2179.617201 1722.253922 924.1634344 721.1944401 1700.447167 2063.867843 2314.490704 2032.041419 1697.083458 742.3754902 1641.871246 2596.219404 1796.879498 2181.923987 1711.52221 2530.557394 1607.56297 1563.113191 1164.150478 1422.080482 2088.932922 1996.967852 1626.947749 1105.947663 2060.386058 1121.569823 1863.321548 875.6353007 1887.845475 Gluc/Gal-Cer 18:1/24:0 6017.779664 6640.731878 2977.162333 3663.547009 9174.7368 5951.040052 4473.57081 6886.527248 6649.752153 4338.197897 4598.018428 11151.99077 6375.446602 3294.345495 8592.424221 3736.2851 1908.736151 5286.093109 4589.343841 4981.246851 3595.74884 2286.575336 5258.953131 5593.97242 6534.649947 7115.681704 4973.691559 1724.625081 3500.164395 12124.68449 4608.720702 10033.26249 4186.275899 8256.878763 4350.685759 3659.890431 4869.432125 3822.093887 8052.491588 5250.245256 2713.877951 3761.04691 9181.211745 1903.337791 4377.999668 2678.679113 4456.893515 Gluc/Gal-Cer 18:1/24:1 11050.43384 13533.50776 6346.316533 9319.168821 11218.52114 8916.992523 9370.233397 13737.19944 11532.966 9492.652308 8783.802155 12994.91069 11732.92556 6782.717489 12282.52004 7088.371458 3420.786101 10785.66437 10741.91333 8306.351565 5451.379102 3824.294978 8027.423244 9498.819008 11002.29327 10860.22999 8073.731041 4692.130864 8599.162432 12525.80079 8496.827118 9953.392729 8503.303341 12605.0217 8844.073932 10886.79841 12840.6137 6603.428871 11028.85628 9200.269466 8078.613655 6259.72304 11908.6654 5361.656858 8925.308963 5068.516814 9177.699461 SO-C18:1 2015.223879 1654.420687 767.3781336 1709.224241 1125.895002 1241.822051 1170.281004 1894.718779 2143.698302 1079.527224 1181.062734 1110.217942 1825.629853 1930.045222 3010.56455 1693.698539 1398.247467 1729.594424 1790.478875 1460.054717 898.13756 851.3093546 2022.610696 1496.665278 1722.435589 1474.279666 1819.272977 1429.596402 1682.19071 1137.751277 1534.681235 1059.798244 1829.046129 2074.576825 1389.112537 1880.705317 1189.948233 1108.675738 1765.220646 1355.366786 1706.491711 136.8645498 1190.604758 2670.149166 1531.782173 1044.282729 1275.477803 SA-C18:0 54.03080505 37.15700397 23.29052793 47.29488742 33.37416458 28.953588 28.21778028 53.47665114 56.08965987 27.38889141 28.80151155 25.30473534 38.24011008 40.42806435 68.22312771 37.27989724 26.70252663 37.73149898 45.99829496 30.09965311 22.29295224 21.83184821 44.65408919 38.60515949 33.00104947 24.20325335 32.35655483 24.47644523 27.28214599 22.30418511 32.70227031 24.76191739 34.52445129 31.17158415 26.63541279 36.81092199 22.65896326 21.52855882 29.65301887 24.81668766 34.7044205 5.304582087 24.2334054 42.86077933 23.47721045 15.57143938 20.69652413 doxSA-C18:0 8.861611055 9.444399528 3.5354349 6.901005101 4.358130721 6.184194011 3.191885533 6.144268946 11.27589504 5.145173541 5.858271202 5.079459982 8.952740461 8.11819614 14.34651046 9.053509282 6.5587908 9.240427369 7.385426598 7.063572955 2.868598335 3.063217971 11.74724911 6.519298536 11.19721592 7.563245374 10.39645026 8.257972606 10.30219979 7.605205708 8.370468442 5.827116922 9.282947006 11.47347713 5.751883693 10.85484754 3.719496478 4.001943914 6.092550638 8.364475064 9.269516844 1.091858105 7.2906915 10.90829163 7.713106119 4.327099746 6.016003734 SM-C14:0 371.6727678 316.2830955 238.1606682 467.0813818 251.4221287 283.9097906 304.4354048 445.4070023 365.0850433 263.8535319 250.4588751 212.3254303 246.2794577 238.8128042 498.8574768 167.9609098 262.8146253 167.3991225 261.4978168 132.7925382 121.4417662 180.8690336 189.239443 188.9687422 202.5114275 151.8265354 145.1368062 174.873313 192.5813501 139.238823 199.3402526 150.1056386 286.5587662 166.2754906 210.1568726 136.785291 142.0661389 149.6802713 253.6838919 165.288607 226.3517534 70.79974112 145.6673304 368.7455083 191.6904359 90.70483692 180.688601 SM-C16:0 8926.832697 8059.131904 7641.211675 6993.355638 6082.67401 7102.519653 6457.460036 7452.484647 7934.900492 7163.80821 6969.615216 6252.1732 7711.81558 6390.293818 10631.93516 7272.56643 6949.468344 7840.638808 7900.085115 7745.871825 6712.598357 6523.589074 6661.416406 6796.020411 7971.994115 6918.726962 6828.975909 6374.246006 6685.355766 6257.928273 6559.026784 5590.627123 8150.092971 7186.007678 7200.748842 5849.465689 5348.04401 5321.95307 7751.803603 7069.615038 7142.753689 5245.680016 7093.439837 9662.889776 6930.42307 5120.225909 6427.652192 SM-C18:0 4735.883022 4010.433394 2725.18052 3678.716235 4248.833664 3650.830779 3880.951083 3413.626633 3528.145904 4426.84172 3553.748306 3227.090184 3544.69943 3543.084316 4349.496712 3975.042045 3676.550223 3627.062968 3720.527767 3639.633769 3992.273344 3754.782795 3326.601427 3539.688551 3468.091427 4072.419432 3067.644713 3551.512171 3537.981885 3375.889414 3473.30648 2668.430476 3661.795264 3347.739218 3710.730512 2721.827717 1886.853917 2033.457386 3048.572398 2843.735331 3266.767769 2292.534628 3080.142584 2575.158516 3008.064781 2055.231361 2514.914823 SM-C18:1 367.56055 333.5425547 142.3402171 264.6990049 306.9694385 317.4858113 276.4877978 304.0978636 322.7040407 341.0101271 320.2676735 332.138032 354.2623738 319.823157 359.4568304 371.3282383 236.0122984 433.85937 396.1581961 402.6986047 421.0750695 322.8445201 363.8245855 378.7367701 381.3250351 366.8555098 379.1486881 251.9307897 361.7301718 356.2689567 312.381129 293.2219021 266.3928369 357.7951358 357.2089125 328.4861698 311.1360932 294.0523401 253.4188239 346.6786262 354.2653873 241.2799615 295.2656064 167.9649172 307.0671039 254.1954263 227.7668554 SM-C20:0 2050.711721 2101.767818 1068.360671 1799.768493 1224.837874 2059.820478 1626.689244 2236.001339 1603.34317 1861.212994 1799.114597 1618.366856 1578.961011 1323.785462 2766.058735 1417.940549 1116.001057 1651.530378 1869.044192 1567.670823 1221.02064 1202.194504 1508.279379 1446.457869 1859.607797 1670.256865 1616.135008 865.1099148 1633.881831 1628.256915 1645.285641 1525.994321 1853.542786 1773.058741 1289.657443 724.6230837 631.4446173 1306.648427 2108.335979 1539.707572 1274.364088 993.9213701 1678.211652 1478.391173 493.3591292 1008.929831 1768.531239 SM-C20:1 65.33360329 60.4191658 54.55550229 47.92221128 44.67804153 51.59153094 57.39605842 52.30730467 49.65476257 54.13540452 45.17440215 39.93801956 69.72713002 52.21158456 84.05897343 45.25778186 34.56333588 58.36951397 56.39048492 53.32729085 53.39778829 56.65026813 45.93984463 46.72336507 47.12912388 54.04515137 36.45478868 49.3501797 56.53844424 50.73420379 57.42565349 34.96167499 39.04729262 45.50624791 48.25742579 42.66358329 38.42084239 28.536583 52.96684075 39.26732341 53.59996199 34.74246704 42.75158531 72.77579729 44.42643522 22.60575814 41.98438067 SM-C22:0 3620.301517 3624.025358 1476.76127 2486.162776 2478.235787 3345.656816 2274.760026 3378.82193 3410.362338 2940.654651 3131.172931 3111.877282 2288.722432 2258.932888 3677.8491 2374.471637 1643.558992 3348.743069 3376.8051 3266.835504 2388.237063 1761.886266 2936.911837 2580.1455 3594.273788 2943.214314 3475.992116 1836.14457 2869.689629 3140.617335 2858.764626 3051.013807 3272.564935 3314.741345 2900.485952 1324.705194 1186.239357 2368.354206 3195.058469 2788.856574 2721.742821 1682.342544 2903.879053 2282.290496 3108.74999 1843.482703 2488.319492 SM-C22:1 158.4708543 176.9381342 107.3420488 109.6466825 166.7058779 161.1305072 109.95075 179.8078519 150.7599098 130.490586 129.1883241 133.8624419 196.5329972 111.0339485 226.0625495 133.7035339 71.28891215 167.4312082 183.2656904 157.3645025 139.4505917 116.7181976 159.5860378 137.3106746 192.1031086 162.1873086 168.2682194 85.57333884 126.0356125 181.1724787 118.0671973 171.8836411 94.96362491 180.1114871 136.3493581 115.6057723 127.338566 99.74526681 144.159653 110.9299161 112.408088 85.91896499 157.4893703 82.13352549 97.53502081 62.49014653 96.39619363 SM-C24:0 1750.731965 2167.137055 1097.799263 1318.044223 1985.758013 1860.484724 1253.025449 2406.647871 2106.663483 1620.923713 1639.35068 2508.368886 1410.94544 967.7207402 2572.797966 1213.226276 770.0015072 1644.398791 1715.537429 1575.725785 944.1586076 900.0095061 1516.49503 1527.400595 2101.936187 1829.630358 1694.219836 827.4428105 1386.209424 2256.427172 1570.246797 1960.796293 1748.610706 2121.310692 1382.66498 755.2364937 693.4859618 1417.281339 2373.485817 1665.883946 1314.255762 890.292366 2202.50848 1127.435265 1635.592142 900.287994 1438.395848 SM-C24:1 10354.27132 9023.105616 5467.975163 6964.870469 6730.149492 7980.556734 7062.561726 8488.81566 8499.546943 8062.465104 7653.922092 6887.649946 6543.320333 6102.192915 7859.856436 6321.37724 4736.478628 7268.480576 7258.05738 7109.278407 6002.891445 4898.749649 6368.571339 5807.689608 7227.565886 6380.340038 6609.350982 4637.374989 6453.109869 6021.667704 6037.778677 5253.846825 7486.496669 6821.605667 6513.234439 5506.091932 5754.733286 5198.253133 6422.192771 6014.640847 6332.43286 4341.587461 6352.823024 6104.759088 6814.789382 4537.400168 5813.412877 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG PubChem identifiers Cer 18:1/16:0 C00195 3495 Cer 18:1/18:0 C00195 3495 Cer 18:1/20:0 C00195 3495 Cer 18:1/22:0 C00195 3495 Cer 18:1/22:1 C00195 3495 Cer 18:1/23:0 C00195 3495 Cer 18:1/24:0 C00195 3495 Cer 18:1/24:1 C00195 3495 DHCer 18:0/18:0 C12126 14273 DHCer 18:0/20:0 C12126 14273 DHCer 18:0/22:0 C12126 14273 DHCer 18:0/23:0 C12126 14273 DHCer 18:0/24:0 C12126 14273 DHCer 18:0/24:1 C12126 14273 doxCer 18:1/18:0 0 0 doxCer 18:1/20:0 0 0 doxCer 18:1/22:0 0 0 doxCer 18:1/22:1 0 0 doxCer 18:1/23:0 0 0 doxCer 18:1/24:0 0 0 doxCer 18:1/24:1 0 0 doxDHCer 18:0/16:0 0 0 doxDHCer 18:0/18:0 0 0 doxDHCer 18:0/20:0 0 0 doxDHCer 18:0/22:0 0 0 doxDHCer 18:0/23:0 0 0 doxDHCer 18:0/24:0 0 0 doxDHCer 18:0/24:1 0 0 Gluc/Gal-Cer 18:1/16:0 C01190 4416 Gluc/Gal-Cer 18:1/18:0 C01190 4416 Gluc/Gal-Cer 18:1/20:0 C01190 4416 Gluc/Gal-Cer 18:1/22:0 C01190 4416 Gluc/Gal-Cer 18:1/24:0 C01190 4416 Gluc/Gal-Cer 18:1/24:1 C01190 4416 SO-C18:1 C00319 3613 SA-C18:0 C00836 4094 doxSA-C18:0 0 0 SM-C14:0 C00550 3831 SM-C16:0 C00550 3831 SM-C18:0 C00550 3831 SM-C18:1 C00550 3831 SM-C20:0 C00550 3831 SM-C20:1 C00550 3831 SM-C22:0 C00550 3831 SM-C22:1 C00550 3831 SM-C24:0 C00550 3831 SM-C24:1 C00550 3831 METABOLITES_END #END