#METABOLOMICS WORKBENCH jad2033_20230613_095235 DATATRACK_ID:4089 STUDY_ID:ST002751 ANALYSIS_ID:AN004464 VERSION 1 CREATED_ON 02-08-2024 #PROJECT PR:PROJECT_TITLE Biomolecular condensates create phospholipid-enriched microenvironments PR:PROJECT_TYPE Metabolomics of in vitro condensates PR:PROJECT_SUMMARY Proteins and RNA are able to phase separate from the aqueous cellular PR:PROJECT_SUMMARY environment to form sub-cellular compartments called condensates. This process PR:PROJECT_SUMMARY results in a protein-RNA mixture that is chemically distinct from the PR:PROJECT_SUMMARY surrounding aqueous phase. Here we use mass spectrometry to characterize the PR:PROJECT_SUMMARY metabolomes of condensates. To test this, we prepared mixtures of PR:PROJECT_SUMMARY phase-separated proteins and cellular metabolites and identified metabolites PR:PROJECT_SUMMARY enriched in the condensate phase. These proteins included SARS-CoV-2 PR:PROJECT_SUMMARY nucleocapsid, as well as low complexity domains of MED1 and HNRNPA1. PR:INSTITUTE Cornell University PR:DEPARTMENT Department of Pharmacology PR:LABORATORY Dr. Samie Jaffrey PR:LAST_NAME Dumelie PR:FIRST_NAME Jason PR:ADDRESS 1300 York Ave, LC-524, New York City, NY PR:EMAIL jdumes98@gmail.com PR:PHONE 6465690174 PR:FUNDING_SOURCE This work was supported by the National Institutes of Health grants R35NS111631 PR:FUNDING_SOURCE and R01CA186702 (S.R.J.); R01AR076029, R21ES032347 and R21NS118633 (Q.C.); and PR:FUNDING_SOURCE NIH P01 HD067244 and support from the Starr Cancer Consortium I13-0037 (S.S.G.). PR:PUBLICATIONS Under revision PR:DOI http://dx.doi.org/10.21228/M8N71K PR:CONTRIBUTORS Jason G. Dumelie, Qiuying Chen, Dawson Miller, Nabeel Attarwala, Steven S. Gross PR:CONTRIBUTORS and Samie R. Jaffrey1 #STUDY ST:STUDY_TITLE Biomolecular condensates create phospholipid-enriched microenvironments (Part 5) ST:STUDY_TYPE Metabolomes of mouse liver ST:STUDY_SUMMARY In this study we used LC-MS and MS/MS to characterize the metabolomes of the ST:STUDY_SUMMARY input mouse liver metabolites used in the first two studies of this submission. ST:INSTITUTE Cornell University ST:DEPARTMENT Department of Pharmacology ST:LABORATORY Dr. Samie Jaffrey ST:LAST_NAME Dumelie ST:FIRST_NAME Jason ST:ADDRESS 1300 York Ave, LC-524, New York City, NY ST:EMAIL srj2003@med.cornell.edu ST:PHONE 6465690174 ST:SUBMIT_DATE 2023-06-14 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - ANP_experiment_set_3_replicate_2 Factor:2 μl RAW_FILE_NAME=jason liver anpneg1.mzdata.xml jason liver anppos1.mzdata.xml SUBJECT_SAMPLE_FACTORS - ANP_experiment_set_3_replicate_3 Factor:2 μl RAW_FILE_NAME=jason liver anpneg1 2.mzdata.xml jason liver anppos1 2.mzdata.xml SUBJECT_SAMPLE_FACTORS - ANP_experiment_set_3_replicate_4 Factor:2 μl RAW_FILE_NAME=jason liver anpneg1 3.mzdata.xml jason liver anppos1 3.mzdata.xml SUBJECT_SAMPLE_FACTORS - ANP_experiment_set_3_replicate_5 Factor:2 μl RAW_FILE_NAME=jason liver anpneg1 4.mzdata.xml jason liver anppos1 4.mzdata.xml SUBJECT_SAMPLE_FACTORS - ANP_experiment_set_3_replicate_6 Factor:2 μl RAW_FILE_NAME=jason liver anpneg2.mzdata.xml jason liver anppos2.mzdata.xml SUBJECT_SAMPLE_FACTORS - ANP_experiment_set_3_replicate_7 Factor:2 μl RAW_FILE_NAME=Liver NEG1.mzdata.xml SUBJECT_SAMPLE_FACTORS - ANP_experiment_set_3_replicate_8 Factor:2 μl RAW_FILE_NAME=Liver NEG2.mzdata.xml SUBJECT_SAMPLE_FACTORS - ANP_experiment_set_3_replicate_1 Factor:4 μl RAW_FILE_NAME=liver1 ANPPOS MS.mzdata.xml #COLLECTION CO:COLLECTION_SUMMARY Mouse metabolites were collected from the liver of female mice using methanol CO:COLLECTION_SUMMARY extraction. After euthanizing a mouse, the liver was immediately frozen in CO:COLLECTION_SUMMARY liquid nitrogen. We then used cold (-20C or colder) 80% methanol to extract CO:COLLECTION_SUMMARY metabolites. First, 1 ml of 80% methanol was added to the liver and incubated CO:COLLECTION_SUMMARY for 10 min at -20oC. Glass beads were added to the liver and then the liver was CO:COLLECTION_SUMMARY lysed by bead-beating for 45 s using a Tissuelyser cell disrupter (Qiagen). The CO:COLLECTION_SUMMARY lysate was incubated for 10 min at -20oC and centrifuged (13200 rpm, 5 min) to CO:COLLECTION_SUMMARY separate metabolites from macromolecules. The supernatant was collected and 200 CO:COLLECTION_SUMMARY µl of 80% methanol was added to the pellet. The incubation, shaking and CO:COLLECTION_SUMMARY centrifugation steps were repeated twice to extract more metabolites from the CO:COLLECTION_SUMMARY pellet. The three supernatants were combined and centrifuged (14000 rpm, 10 min) CO:COLLECTION_SUMMARY to separate any remaining macromolecules from the metabolites. The combined CO:COLLECTION_SUMMARY supernatants were dried using a SpeedVac Concentrator (Savant, SPD131DDA) at CO:COLLECTION_SUMMARY 25oC and the dried metabolite samples were stored at -80oC. CO:SAMPLE_TYPE Liver CO:COLLECTION_METHOD 80% methanol CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY All samples were treated identically for this sub-study, except a higher volume TR:TREATMENT_SUMMARY (4 μl ANP_experiment_set_3_replicate_1) of one sample was injected than for the TR:TREATMENT_SUMMARY other samples (2 μl). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY On the day of metabolite analysis, dried-down extracts were reconstituted in 150 SP:SAMPLEPREP_SUMMARY µl 70% acetonitrile, at a relative protein concentration of ~ 2 µg/µl. Either SP:SAMPLEPREP_SUMMARY 4 µl (replicate 1) or 2 µl (all other replicates) of this reconstituted SP:SAMPLEPREP_SUMMARY extract was injected for LC/MS-based targeted and untargeted metabolite SP:SAMPLEPREP_SUMMARY profiling. SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Tissue extracts were analyzed by LC/MS as described previously, using a platform CH:CHROMATOGRAPHY_SUMMARY comprised of an Agilent Model 1290 Infinity II liquid chromatography system CH:CHROMATOGRAPHY_SUMMARY coupled to an Agilent 6550 iFunnel time-of-flight MS analyzer. Chromatography of CH:CHROMATOGRAPHY_SUMMARY metabolites utilized aqueous normal phase (ANP) chromatography on a Diamond CH:CHROMATOGRAPHY_SUMMARY Hydride column (Microsolv). Mobile phases consisted of: (A) 50% isopropanol, CH:CHROMATOGRAPHY_SUMMARY containing 0.025% acetic acid, and (B) 90% acetonitrile containing 5 mM ammonium CH:CHROMATOGRAPHY_SUMMARY acetate. To eliminate the interference of metal ions on chromatographic peak CH:CHROMATOGRAPHY_SUMMARY integrity and electrospray ionization, EDTA was added to the mobile phase at a CH:CHROMATOGRAPHY_SUMMARY final concentration of 5 µM. The following gradient was applied: 0-1.0 min, 99% CH:CHROMATOGRAPHY_SUMMARY B; 1.0-15.0 min, to 20% B; 15.0 to 29.0, 0% B; 29.1 to 37min, 99% B. CH:INSTRUMENT_NAME Agilent Model 1290 Infinity II liquid chromatography system CH:COLUMN_NAME Cogent Diamond Hydride (150 × 2.1 mm, 4um) CH:COLUMN_TEMPERATURE 26 CH:FLOW_GRADIENT The following gradient was applied: 0-1.0 min, 99% B; 1.0-15.0 min, to 20% B; CH:FLOW_GRADIENT 15.0 to 29.0, 0% B; 29.1 to 37min, 99% B. CH:FLOW_RATE 0.3 mL/min CH:SOLVENT_A 50% isopropanol/50% water; 0.025% acetic acid CH:SOLVENT_B 90% acetonitrile/10% water; 5 mM ammonium acetate CH:CHROMATOGRAPHY_TYPE Normal phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE Other MS:MS_COMMENTS LC/MS-based targeted and untargeted metabolite profiling. For targeted analysis, MS:MS_COMMENTS raw LC/MS data was extracted by MassProfinder 8.0 (Agilent Technologies) using MS:MS_COMMENTS an in-house annotated personal metabolite database that contains 863 metabolites MS:MS_COMMENTS (Agilent Technologies). Additionally, molecular feature extraction (MFE) was MS:MS_COMMENTS performed for untargeted metabolite profiling using MassProfinder 8.0 (Agilent MS:MS_COMMENTS Technologies). The untargeted molecular features were imported into MassProfiler MS:MS_COMMENTS Professional 15.1 (MPP, Agilent Technologies) and searched against Metlin MS:MS_COMMENTS personal metabolite database (PCDL database 8.0), Human Metabolome Database MS:MS_COMMENTS (HMDB) and an in-house phospholipid database for tentative metabolite ID MS:MS_COMMENTS assignments, based on monoisotopic neutral mass (< 5 ppm mass accuracy) MS:MS_COMMENTS matches. Furthermore, a molecular formula generator (MFG) algorithm in MPP was MS:MS_COMMENTS used to generate and score empirical molecular formulae, based on a weighted MS:MS_COMMENTS consideration of monoisotopic mass accuracy, isotope abundance ratios, and MS:MS_COMMENTS spacing between isotope peaks. A tentative compound ID was assigned when PCDL MS:MS_COMMENTS database and MFG scores concurred for a given candidate molecule. Tentatively MS:MS_COMMENTS assigned molecules were reextracted using Profinder 8.0 for confirmation of MS:MS_COMMENTS untargeted results. Only non-lipid metabolites that were identified in study MS:MS_COMMENTS ST002349 were retained for this analysis. MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Ion abundance (peak area) MS_METABOLITE_DATA_START Samples ANP_experiment_set_3_replicate_2 ANP_experiment_set_3_replicate_3 ANP_experiment_set_3_replicate_4 ANP_experiment_set_3_replicate_5 ANP_experiment_set_3_replicate_6 ANP_experiment_set_3_replicate_7 ANP_experiment_set_3_replicate_8 ANP_experiment_set_3_replicate_1 Factors Factor:2 μl Factor:2 μl Factor:2 μl Factor:2 μl Factor:2 μl Factor:2 μl Factor:2 μl Factor:4 μl 1-Methyladenosine 109709.5102 26107.4893 26993.0664 126498.8311 2-Aminoadipic Acid 338182.2768 594052.9272 694711.4965 706744.8100 373184.4424 2-Aminoisobutyric Acid 472753.9855 750479.4606 587674.5457 404002.1815 43785.7974 46190.5825 2-Hydroxybutyric Acid 7809206.5917 11193064.3419 7449349.1614 5108083.3952 1786414.3668 1727489.6895 2-Hydroxyphenylacetic Acid 2-Methylcitric Acid 896949.4999 1379885.8030 1256760.4565 2010424.2274 217020.9832 190410.4398 3-Aminoisobutyric Acid 320316.5684 488718.4079 376806.0375 375862.8626 47438.1935 47724.1369 3-Hydroxyanthranilic Acid 3-Hydroxybutanoic Acid 2349789.3588 2611661.6685 3057103.9394 441359.3160 3-Hydroxymethylglutaric Acid 536016.3401 1718089.3443 1126920.7249 982860.1376 144205.3564 162925.8550 3-Methylhistidine 14382.2475 3-Phosphoglyceric Acid 214236.1964 271217.2826 273160.5982 2612792.1902 37715.7929 36988.7132 4-Aminobutyric Acid 225427.6329 449089.3401 104714.7540 104921.7408 123121.1731 26582.3331 26490.8445 4-Imidazoleacetic Acid 156971.5688 219700.6805 878112.7348 986673.4849 96375.6869 4-Pyridoxic Acid 653768.5114 1064442.2986 790022.6999 146955.5959 144948.3428 5-Hydroxyisouric Acid 5^-Methylthioadenosine 54507.4468 35895.3489 68243.4786 81087.5836 127442.7062 5-Oxoproline 33549987.0256 66576092.6740 53222685.9273 39972148.7491 11312868.7678 11266428.1048 Acetoacetic Acid 1826753.3144 1085049.6836 777037.8033 706484.5761 142503.0457 140616.5274 Acetylcysteine 596688.6754 956983.4362 586331.5323 209860.5709 117415.5150 122918.5934 Adenine 364464.8909 488984.4374 334009.8806 369897.8488 440535.3610 Adenosine 158028.7875 401822.5203 393020.2572 71157.4888 ADP 1290295.7836 1632619.7250 1557620.0042 3785219.5479 255179.0830 256395.8615 ADP-Ribose 22210965.5866 42507653.5335 36608594.4497 22967741.5960 1391707.3133 1235660.4449 Allantoin 9114586.0870 14853509.2718 7668857.4523 4817536.2747 1871955.8867 1946163.4662 AMP 4492776.9284 7148115.0458 7843505.7875 1512308.5605 1452909.3098 Ascorbic Acid 640018.8056 519623.7008 420713.3767 4459213.2384 76673.9167 97450.4343 Asparagine 508684.8635 ATP 809401.7226 845860.2122 624483.5347 1310583.7147 95623.0230 93643.3759 Betaine 62393.5680 45030.4741 Cholesterol Sulfate 1518612.8746 1868475.1435 1385101.2009 442009.8560 452508.2943 Citric Acid 65171497.9658 51908930.1693 7758985.0171 7769390.2806 Citrulline 196340.4975 372504.9668 111931.5137 107026.9320 161653.6172 Cysteineglutathione Disulfide 72155.6201 60287.9994 69314.3468 104608.8508 Cytidine 108057.0911 188841.1877 172203.2290 172832.3358 53563.1682 Cytidine diphosphate choline 142787.8739 208359.8376 162155.4831 161962.1211 348608.4927 31039.9067 32421.6144 Dehydroascorbic Acid 1704530.0182 1504758.5344 1004593.9747 1988179.6952 60155.4969 72907.7862 Dihydrobiopterin 207221.6714 26719.4783 56632.5546 47469.7280 35378.8899 33968.5656 Dihydroorotic Acid 42120.7887 Dimethylarginine 30873.8292 28466.4372 24035.0483 36917.5854 37438.4121 Ergothioneine 607012.2564 1072445.3475 594495.4715 162646.9593 159195.7674 Erythrose 6508233.8593 3280476.6718 2307184.3777 5397620.7466 Flavin Adenine Dinucleotide 1124408.0812 3110715.3839 2983448.2496 1188642.1259 697969.5908 681948.9122 Fructose 6-Phosphate 200769.5531 297732.7936 283181.5383 2446128.8123 63980.9109 63945.8283 Galacturonic Acid 6287268.6267 5128163.3766 2393240.2022 921348.0189 956767.7070 Glucosamine Glucose 57887352.4711 8813073.6932 5113522.0208 46344823.5628 1122998.5764 1049124.0827 Glucose 6-Phosphate 153568.3593 254478.0357 315401.2753 823686.7067 50707.6739 36184.7546 Glutamic Acid 8021857.4219 477863.5503 1390559.2364 9676636.3776 1348174.0168 1329572.4270 Glutathione 701490.4874 452192.9538 Glycerophosphocholine 14217.3640 10448.7627 Glycerophosphoinositol 5793066.1362 8385400.3170 15692703.2279 4544954.7094 2401860.8700 2299306.7335 Glycerophosphoserine 1439238.1009 2153394.7773 1968438.1953 2048609.6004 251542.9220 224033.0169 Glycine 670585.1347 927063.8201 719719.7187 519620.6578 157005.5067 147351.5231 GSSG 17126702.9268 30887223.5291 22969411.8681 24621561.6011 20252993.0052 Guanosine 2291986.1033 2887074.9663 2205610.8788 2402889.3985 1337766.4349 Histamine 3532.0483 Histidine 457217.2512 869072.5688 692477.1973 763619.4877 750150.5487 Hypotaurine 223918.1376 441598.2986 351271.7406 382627.0145 126490.9140 Indoxylsulfuric acid 7918388.0102 12327212.2810 8582044.6983 2561114.8025 2168617.6109 2249374.1566 Inosine 45294805.8704 90024768.4253 55616090.2769 59175710.8767 44294181.3583 14685272.3812 15140306.6817 Isoleucine 4134083.1260 9039165.4184 12698496.4862 3071007.5418 2206375.4889 2598770.0232 Lactic Acid Lactose 212249.9971 311272.7671 199648.3820 487795.7285 Leucine 8489486.9015 16473708.6126 19175008.6223 4937910.9768 2710997.2593 2475123.6129 Lysine 576824.3555 610373.5176 917281.2180 1905231.2629 Methionine 1405502.4975 2790312.9490 4215128.7172 4290114.2147 923788.6588 Myo-Inositol 1647927.4328 51122513.8078 36870213.6465 787109.6022 5916723.6155 5672129.9884 N-Acetylaspartic Acid 6181877.9922 38438150.2700 60593771.4900 1571163.4495 7968847.7083 7629683.3301 N-Acetylmannosamine 423526.2541 258930.4522 272201.0477 204875.9742 124979.3361 119112.9527 N-Acetylneuraminic Acid 2967291.0501 4147986.8132 3176057.6496 1295734.2769 880591.7451 857600.3756 NADH 10667336.5160 20408526.7866 20526149.2013 989735.6666 3960818.4082 3655218.9545 Nicotinamide Mononucleotide Nicotinic Acid O-Phosphoethanolamine 136618.9026 200920.8921 169180.2238 215960.6418 24685.8653 24385.5726 Ophthalmic Acid 1057804.1710 75918.8409 62318.9043 913878.2296 253372.0160 249205.1247 Oxoglutaric Acid 110760.7591 1028774.6111 613820.8948 109107.4101 236183.7876 240025.2117 Pantothenic Acid 1974168.8592 2365799.7315 1740798.2433 2477529.4424 418920.0426 387806.5908 Phenylalanine 5004546.1967 6449504.7651 6091823.8353 2519666.6010 1115094.2827 1022378.9377 Pipecolinic Acid 68037.4485 124882.5919 82679.1606 94302.8759 24601.6823 Proline 1878909.4443 2956389.8430 3196697.8713 1387166.2328 395969.9549 394421.1251 Pterin Pyrrole-2-Carboxylic Acid 55525.7577 73276.2093 53435.5917 24012.8750 Pyruvic acid 15525202.6473 21192850.0264 16427446.2116 6900353.8763 1854836.2344 1857093.5197 Saccharopine 42557.1492 49776.2017 44203.8799 44063.5841 164281.2212 S-Adenosylhomocysteine 8754.7335 16902.5510 132993.0446 26149.9289 27315.5923 17742.5832 Serine 2433260.5160 4084520.1005 3520011.1188 1482702.8775 577884.3276 550357.2798 S-Lactoylglutathione 45509.2338 31346.0228 114061.3453 Sorbitol 1683958.6471 1931500.8543 1343779.0646 2639460.1433 232693.2157 222009.5047 ST 21:3;O5 71318.2284 142435.0683 134666.0256 111298.2864 25096.2387 22544.9583 ST 21:4;O5 110455.8728 87368.9720 Stachyose Hydrate 1306382.7787 1851015.6471 1664668.3133 16551890.9909 407565.1876 397411.1164 Succinoadenosine 1359984.5838 2447211.5758 1941121.8941 1975101.2001 2787391.3229 Succinylaminoimidazole carboxamide riboside 173402.2894 233701.4564 221629.1425 173510.9482 30403.2527 29155.7398 Sucrose 402322.4690 246821.6689 380565.0652 1042574.4072 51645.3638 49159.7693 Sulfite 227776.3137 315200.0126 289515.2161 364455.1533 56555.9047 57385.0263 Taurine 373872096.0503 288263087.3086 71962991.8457 68734879.4310 Taurodeoxycholic Acid 19249078.2373 16851902.6382 15021576.9773 18127537.2321 2602990.8188 2999925.4118 Taurolithocholic Acid 269039.1721 579450.4212 129177.7508 129815.0850 Thiamine 688080.8636 1134075.1896 1301782.2840 1272262.3230 1444786.6412 36048.7014 36668.0876 Thiosulfuric Acid 8730718.9310 13755728.7945 14382622.0689 4287397.4686 3750213.9049 3880820.4613 Threonine 5871584.2823 10313799.5079 7634263.9032 4173270.1313 1221237.4791 1219441.0084 Thymidine 247564.1593 363055.9471 258332.8904 Tryptophan 2454388.5904 2440268.8259 1200206.2555 971135.6053 443129.7549 358115.4830 Tyramine 35837.1491 137747.5574 170195.0174 180503.5129 40601.6867 Tyrosine 2757487.3036 4312572.1501 7305551.5807 2517206.8653 872234.7047 879772.8098 UDP-Glucose 34998452.2200 82015092.6958 117659304.5111 25759865.3531 17588231.9559 15968768.0628 UDP-N-Acetylglucosamine 36622860.7678 2157959.3624 2385659.5320 29020723.2855 21363623.6232 20447579.6914 UMP 5505952.3888 6040799.3781 2034294.0849 639610.7401 632869.0975 Uric Acid 28564013.9351 22860111.5106 18192946.1496 19640503.2428 4065573.5428 Uridine 9647633.9921 11561643.3165 7625193.4367 8327099.1765 6095910.3482 Valine 10808607.3478 20450316.6241 15098457.4931 5961230.4553 2560931.4702 2599497.5686 Xanthine 10341454.2952 16580654.2836 9126946.8315 10035900.6327 8965869.0162 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 1-Methyladenosine 27476 9.19 2-Aminoadipic Acid 469 8.85 2-Aminoisobutyric Acid 6119 8.84 2-Hydroxybutyric Acid 2.39 2-Hydroxyphenylacetic Acid 11970 1.6 2-Methylcitric Acid 439681 9.78 3-Aminoisobutyric Acid 64956 9.71 3-Hydroxyanthranilic Acid 86 1.44 3-Hydroxybutanoic Acid 441 3.93 3-Hydroxymethylglutaric Acid 10329583 8.41 3-Methylhistidine 64969 12.55 3-Phosphoglyceric Acid 11.36 4-Aminobutyric Acid 11.32 4-Imidazoleacetic Acid 96215 10.29 4-Pyridoxic Acid 6723 1.75 5-Hydroxyisouric Acid 1.62 5'-Methylthioadenosine 2.73 5-Oxoproline 6.3 Acetoacetic Acid 6971017 1.89 Acetylcysteine 2.74 Adenine 190 5.36 Adenosine 60961 3.98 ADP 6022 11.63 ADP-Ribose 9.09 Allantoin 204 2.38 AMP 6083 11.27 Ascorbic Acid 54670067 2.8 Asparagine 6267 10.23 ATP 44224003 11.84 Betaine 247 11.72 Cholesterol Sulfate 65076 0.85 Citric Acid 311 9.87 Citrulline 9750 9.57 Cysteineglutathione Disulfide 53477713 10.13 Cytidine 6175 6.29 Cytidine diphosphate choline 13.46 Dehydroascorbic Acid 835 1.77 Dihydrobiopterin 6.46 Dihydroorotic Acid 648 0.68 Dimethylarginine 123831 26.36 Ergothioneine 3032311 10.69 Erythrose 94176 3.13 Flavin Adenine Dinucleotide 8.56 Fructose 6-Phosphate 69507 10.59 Galacturonic Acid 445929 4.8 Glucosamine 439213 9.23 Glucose 5793 3.01 Glucose 6-Phosphate 5958 11.44 Glutamic Acid 33032 9.94 Glutathione 9.79 Glycerophosphocholine 15.33 Glycerophosphoinositol 8.26 Glycerophosphoserine 9.29 Glycine 750 10.56 GSSG 11215652 11.54 Guanosine 6802 4.59 Histamine 774 26.83 Histidine 6274 12.05 Hypotaurine 107812 10.57 Indoxylsulfuric acid 0.86 Inosine 6021 3.74 Isoleucine 791 8.81 Lactic Acid 612 3.12 Lactose 294 4.07 Leucine 6106 8.6 Lysine 5962 26.36 Methionine 6137 8.58 Myo-Inositol 892 4.07 N-Acetylaspartic Acid 65065 8.49 N-Acetylmannosamine 439281 7.95 N-Acetylneuraminic Acid 439197 7.68 NADH 21604869 8.56 Nicotinamide Mononucleotide 14180 8.12 Nicotinic Acid 1.24 O-Phosphoethanolamine 15.56 Ophthalmic Acid 7018721 10.14 Oxoglutaric Acid 51 7.18 Pantothenic Acid 988 6.16 Phenylalanine 6140 8.22 Pipecolinic Acid 736316 10.51 Proline 145742 10.87 Pterin 73000 2.98 Pyrrole-2-Carboxylic Acid 12473 9.49 Pyruvic acid 1.94 Saccharopine 160556 11.98 S-Adenosylhomocysteine 10.48 Serine 5951 9.99 S-Lactoylglutathione 119450 8.09 Sorbitol 5780 5.03 ST 21:3;O5 1.13 ST 21:4;O5 1.05 Stachyose Hydrate 439531 8.93 Succinoadenosine 20849086 8.96 Succinylaminoimidazole carboxamide riboside 9.11 Sucrose 5988 6.33 Sulfite 1099 1.71 Taurine 1123 6.68 Taurodeoxycholic Acid 1.24 Taurolithocholic Acid 439763 1.04 Thiamine 26.58 Thiosulfuric Acid 7.25 Threonine 6288 9.64 Thymidine 1.55 Tryptophan 6305 7.99 Tyramine 5610 11.36 Tyrosine 6057 8.32 UDP-Glucose 53477679 8.22 UDP-N-Acetylglucosamine 445675 8.17 UMP 6030 10.58 Uric Acid 1175 3.64 Uridine 6029 2.28 Valine 1182 9.29 Xanthine 1188 2.57 METABOLITES_END #END