#METABOLOMICS WORKBENCH Wei_Xu_20221129_233519 DATATRACK_ID:3614 STUDY_ID:ST002374 ANALYSIS_ID:AN003869 PROJECT_ID:PR001527 VERSION 1 CREATED_ON November 30, 2022, 12:11 am #PROJECT PR:PROJECT_TITLE Metabolomics analysis of WT vs. GOT1 knockout CD8+ T cells PR:PROJECT_SUMMARY WT or GOT1 knockout OT-I CD8+ T cells were activated with plate-bound anti-CD3 PR:PROJECT_SUMMARY and soluble anti-CD28 for 24 hours. Cells were collected for mass spectrometry PR:PROJECT_SUMMARY analysis. PR:INSTITUTE Johns Hopkins University PR:LAST_NAME Xu PR:FIRST_NAME Wei PR:ADDRESS 1650 Orleans Street, Baltimore, MD 21287, USA. PR:EMAIL wxu29@jhmi.edu PR:PHONE 443-220-9936 #STUDY ST:STUDY_TITLE Metabolomics analysis of WT vs. GOT1 knockout CD8+ T cells ST:STUDY_SUMMARY WT or GOT1 knockout OT-I CD8+ T cells were activated with plate-bound anti-CD3 ST:STUDY_SUMMARY and soluble anti-CD28 for 24 hours. Cells were collected for mass spectrometry ST:STUDY_SUMMARY analysis. ST:INSTITUTE Johns Hopkins University ST:LAST_NAME Xu ST:FIRST_NAME Wei ST:ADDRESS 1650 Orleans Street, Baltimore, MD 21287, USA. ST:EMAIL wxu29@jhmi.edu ST:PHONE 443-220-9936 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL/6J SU:AGE_OR_AGE_RANGE 6-8 weeks SU:GENDER Male and female #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 - S_01 Treatment:WT RAW_FILE_NAME=S_01.wiff SUBJECT_SAMPLE_FACTORS - S_02 Treatment:WT RAW_FILE_NAME=S_02.wiff SUBJECT_SAMPLE_FACTORS - S_03 Treatment:WT RAW_FILE_NAME=S_03.wiff SUBJECT_SAMPLE_FACTORS - S_04 Treatment:GOT1 KO RAW_FILE_NAME=S_04.wiff SUBJECT_SAMPLE_FACTORS - S_05 Treatment:GOT1 KO RAW_FILE_NAME=S_05.wiff SUBJECT_SAMPLE_FACTORS - S_06 Treatment:GOT1 KO RAW_FILE_NAME=S_06.wiff #COLLECTION CO:COLLECTION_SUMMARY Cell pellets were spun down and washed twice with pre-warmed PBS. Metabolites CO:COLLECTION_SUMMARY were immediately extracted or stored at -80℃ until further extraction. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY CD8+ T cells were isolated from spleens and lymph nodes from WT or T cell TR:TREATMENT_SUMMARY conditional GOT1 knockout mice. Cells were activated with plate-bound anti-CD3 TR:TREATMENT_SUMMARY and soluble anti-CD28 for 24 hours. Cells were then collected for MS analysis. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Cell pellets were spun down and washed twice with pre-warmed PBS. Metabolites SP:SAMPLEPREP_SUMMARY were immediately extracted by adding methanol:water (80:20, v/v) extraction SP:SAMPLEPREP_SUMMARY solution, sonicated and stored at -80 °C for at least 2 hours to precipitate SP:SAMPLEPREP_SUMMARY the proteins. Supernatant after centrifugation at 14,000xg for 10 minutes was SP:SAMPLEPREP_SUMMARY dried under nitrogen gas. Metabolites were then reconstituted using ACN:water SP:SAMPLEPREP_SUMMARY (50:50, v/v) overnight at 4 °C. Soluble metabolites after centrifugation at SP:SAMPLEPREP_SUMMARY 14,000xg for 10 minutes were subjected to targeted metabolite analysis by SP:SAMPLEPREP_SUMMARY liquid-chromatography tandem mass spectrometry (LC-MS/MS). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu Prominence UFLC CH:COLUMN_NAME Waters XBridge BEH Amide, 2.1 x 150 mm, 2.5 μm #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS The optimized MS parameters were: ESI voltage was +5,000 V in positive ion mode MS:MS_COMMENTS and -4,500 V in negative ion mode; dwell time was 3 ms per SRM transition and MS:MS_COMMENTS the total cycle time was 1.57 seconds. Peak integration for each targeted MS:MS_COMMENTS metabolite in SRM transition was processed with MultiQuant software (v2.1, AB MS:MS_COMMENTS Sciex). The preprocessed data with integrated peak areas were exported from MS:MS_COMMENTS MultiQuant and re-imported into Metaboanalyst software for further data analysis MS:MS_COMMENTS (statistical analysis, principal component analysis, generating heatmap, MS:MS_COMMENTS enrichment analysis, etc.). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AUC MS_METABOLITE_DATA_START Samples S_01 S_02 S_03 S_04 S_05 S_06 Factors Treatment:WT Treatment:WT Treatment:WT Treatment:GOT1 KO Treatment:GOT1 KO Treatment:GOT1 KO glycine 22936.92419 17396.87163 28406.64915 27524.13935 33652.82274 14533.23214 alanine 10250522.21 9740095.576 9665085.832 6002185.359 7509473.016 6577159.514 choline 143129632.2 148700108.7 142231321.2 159199396.4 157729909.2 153841193.8 4-aminobutyrate 61399.32585 67190.10177 71214.05408 43038.01713 55509.70291 44254.73311 dimethylglycine 27132662.76 22016844.71 24259627.62 24952893.43 31425187.64 25130867.5 serine 6950465.889 6398704.955 7151487.498 4822925.703 4683683.728 4598430.68 cytosine 429587.7777 274097.4202 249338.5659 135481.0725 148061.6378 110278.8487 creatinine 11371605.17 14197281.26 10943075.16 11927900.06 13163441.97 11831018.65 proline 20617251.9 22681163.33 19089112.5 15530455.97 14211182.69 13017052.19 indole 78305.20761 86375.60252 76222.49808 68291.44933 63544.55357 64969.51336 betaine 184142387.3 168096574.3 176626503.1 187929656.4 165697394.4 196339662.9 valine 298171.4382 384054.131 291928.4213 271598.6144 373820.2816 250310.5057 threonine 3360812.973 3096172.673 3334244.737 2688739.769 3103538.92 3317839.265 purine 81589.34681 73047.79925 63803.26436 110383.3951 77133.60485 101851.3675 creatine 17053152.11 17495542.06 16777009.34 17678415.32 18855903.92 17636877.71 nicotinamide 22098351.06 23132277.95 24603891.22 21790843.77 25694841.16 23897875.97 DL-Pipecolic acid 103740073.1 101886334 112932478.8 84361643.07 85647841.9 80688425.36 N-Acetylputrescine 223564.4363 231782.7627 252072.9873 106137.7054 91954.6387 122452.9394 hydroxyproline 9659623.322 10285583.53 10051589.32 6286736.672 5900443.394 6318878.166 leucine-isoleucine 45821186.14 48064771.79 44420846.32 39963873.25 39554669.97 40625998.96 ornithine 1178608.346 989593.5377 833774.2221 1092008.722 1294061.079 967842.3221 asparagine 7849547.444 7552402.504 8251896.664 5839631.009 6577858.558 6145198.479 aspartate 42847611.54 41396354.35 40803769.18 99705111.16 107696108.2 106794541.9 adenine 1288611.07 1233209.149 1418024.697 1838625.45 2017694.012 1780372.435 Methylcysteine 113085.3801 97591.84827 92351.90597 96761.89628 88836.53267 103182.7612 homocysteine 192530.5636 176198.9942 176839.9339 433080.1783 408760.6302 398636.1525 methylnicotinamide 331091.8413 148234.7497 167060.3119 20330.47723 34530.17559 40635.90017 lysine 231982.6908 321719.8204 340303.2244 269210.8036 324988.1513 321944.1828 glutamine 71215594.08 73111602.03 73688143.58 58204110.13 65838546.03 55088590.57 O-acetyl-L-serine 120965.7426 171413.1812 119095.1192 174773.194 139762.5733 157293.9365 glutamate 97407978.93 111468528.1 110285889.7 60384198.63 62846826.74 68170251.47 methionine 665020.7771 734794.5472 812743.72 701974.0623 886159.2616 712319.8795 histidine 7868269.478 8200203.074 6882974.491 9525479.773 9117014.179 8344784.734 2-Aminooctanoic acid 2029287.703 1791808.882 1805165.423 2235556.664 1696266.495 2083022.357 carnitine 8854579.307 9470647.984 8891256.723 8803112.593 9943755.211 9157358.382 Methionine sulfoxide 109964.284 112838.1114 139702.9841 125422.8371 148363.7762 130035.3889 phenylalanine 8841104.215 10158008.04 10984230.96 10821661.43 13220584.49 7012639.361 pyridoxine 6085283.985 6698080.433 7294375.827 6726222.94 8916535.208 7082737.13 1-Methyl-Histidine 4628236.955 5680069.217 5210902.063 5685053.311 5123672.668 4890832.564 N-acetyl-L-ornithine 371737.521 431660.7628 429700.6595 393779.568 435355.0469 389896.3102 arginine 17900652.73 17113256.33 18347818.24 21190500.74 18752089.95 19668108.52 citrulline 574918.0011 983621.4499 507480.0479 635611.3803 631373.8756 519256.3366 tyrosine 581706.9563 748162.8413 829459.5494 679594.0298 812224.5343 817404.7814 Phosphorylcholine 171628681.6 168897795.8 164935948 106099445.4 113295605.8 116314835.6 3-phospho-serine 497181.892 414026.1151 586608.5553 13325.01519 228675.3504 227766.3413 N6-Acetyl-L-lysine 1750182.673 1361136.683 1981928.607 1931113.233 1887541.118 1824953.262 Acetyllysine 2144037.457 1612364.448 1169578.11 1577962.197 1667939.958 1558718.935 N-acetyl-glutamine 406205.5208 717847.3102 656945.6931 662085.1543 737467.3392 867434.6298 N-acetyl-glutamate 62712.54265 102918.9729 65111.59412 100105.6451 123240.6131 111561.2732 Ng,NG-dimethyl-L-arginine 594363.4168 742689.6199 709982.7992 655863.0037 732750.7182 687326.5675 Acetylcarnitine DL 41833035.64 40986418.44 39803494.92 26309694.49 29355634.9 28188700.8 tryptophan 1506831.231 1726707.234 1811498.287 2140483.372 1802290.864 2100471.361 Kynurenine 98602.22424 117743.5277 89162.91222 106976.9745 87781.26315 54230.38064 N-acetyl-glucosamine 263684.0253 409804.9532 293579.9558 165930.3303 201921.1921 149062.3926 Flavone 170440.6347 771472.6628 1069117.228 299371.6237 167414.4449 187302.6637 cystathionine 24461.51566 27368.93847 40526.53706 19883.29586 21418.72975 29818.93634 Cystine 252805.998 239327.5231 259757.6994 271025.6781 235495.1378 233888.6556 cytidine 2243440.183 2322324.47 1722427.715 608679.8154 629232.571 609272.5892 biotin 644893.5516 551429.192 593250.3259 463791.0148 357923.9674 408693.3377 Glycerophosphocholine 97472038.03 94169101.07 92583474.44 87426045.95 85582243.35 81505902.72 thiamine 1182498.192 2160533.785 2151799.561 1749706.98 1829743.795 1919700.476 adenosine 722236.325 1239883.169 703754.1028 687484.407 539597.8954 672918.4657 1-Methyladenosine 357861.7716 365806.8246 402186.3754 408340.3061 377686.7181 458106.2698 L-arginino-succinate 609113.8045 776649.7927 693389.7836 379903.3885 410243.9828 427160.1556 S-methyl-5-thioadenosine 11461052.28 15480365.81 12644937.3 20571566.42 15888581.28 25223432.58 7-methylguanosine 83181.55371 73986.7278 94790.23544 48922.55222 73784.08291 48140.47591 glutathione 12351499.5 16998384.05 15422732 8092919.107 7166734.235 8249722.062 CMP 85957.92522 109472.4827 965926.4254 969425.7889 1046133.073 1165468.203 UMP 55214.49914 76601.20713 43164.34617 22910.92057 45162.67889 33576.04377 dAMP 233806.534 277488.4393 228131.9542 183701.4391 161634.6121 296346.6787 Nicotinamide ribotide 58955.00217 80344.98654 55821.70072 78650.76111 66028.64318 57255.95211 aminoimidazole carboxamide ribonucleotide 27016.91749 38968.62444 66513.94431 25217.02364 18342.22066 38219.17697 AMP 3655454.012 3358350.449 3036458.877 1482405.086 3297706.221 2309333.406 IMP 1679556.394 1457771.098 1003677.533 567869.005 685793.1642 924490.2577 GMP 85610.82726 132936.6425 209242.4047 191528.1535 168238.7008 147095.1911 riboflavin 101394.603 96118.87622 123572.989 109066.5411 143663.7324 126795.0747 S-adenosyl-L-homoCysteine_pos 234761.4896 194292.485 214900.8561 113205.3764 126923.9195 143016.0834 S-adenosyl-L-methionine 3889701.758 3684771.027 2406445.321 2562217.241 3029340.103 3158933.856 7,8-dihydrofolate 32881.10356 29055.75787 31352.21857 45733.42367 16822.7323 32115.07952 glutathione disulfide_pos 4214851.237 3903068.528 3477021.497 3315054.644 2789454.034 2753567.522 NAD+_pos 10727573.16 14538414.22 12384208.52 9726596.454 10353505.51 10756797.83 NADH 64949.50597 46886.53799 11113.89008 60554.78554 80783.474 70608.62806 NADP+_pos 388884.1374 289739.9965 296459.7796 668199.0792 832654.6517 512339.9539 coenzyme A_pos 71745.22484 52705.02139 48310.34111 48870.86239 42050.58491 25231.41463 FAD 96925.23481 154011.0805 118716.9075 120364.533 97421.02045 129307.7141 acetyl-CoA_pos 62850.79383 93223.55899 70733.64931 49230.06019 52248.8997 62241.24262 sarcosine 2541434.194 2799676.388 4042880.925 2202506.792 2071998.273 2434241.21 1-pyrroline-5-carboxylate(P5C) 606780.8414 629875.4495 481208.4179 620359.0981 530406.9963 753379.7973 guanidinosuccinate 1120012.442 957405.1584 1228327.23 1148139.155 1467196.176 1236384.515 gamma-Glutamylcysteine 42897.99755 26777.65598 38239.12596 23692.00096 21411.112 27525.77284 cADP-ribose 43947.90171 27532.2743 41030.46281 30987.95059 35014.22736 44687.60718 Itaconate_pos 402672.4919 334534.6005 285393.7967 201440.8244 192902.3733 150745.949 lactate 107595203.8 157710440.2 136387887.5 120809521.2 131931419.8 184585604.9 glycerate 227998.5627 169598.338 254279.5119 151621.1369 151591.9599 123923.607 uracil 965083.8597 952443.375 1080212.177 337718.5709 1030370.068 1175896.599 fumarate 7752683.543 8166979.214 7187214.316 6424145.106 7150266.436 6984915.805 Maleic acid 8424723.885 8965059.247 7493272.463 7002113.286 7433354.515 6789604.571 2-keto-isovalerate 7860936.908 6955889.776 7885265.189 6276043.272 7980660.368 6119118.079 succinate 17244603.78 18107565.18 15579558.28 17227963.95 13363653.68 17835299.51 Methylmalonic acid 22030880.41 20716982.77 19230742.68 17237399.83 20520811.9 25157642.28 taurine 26847707.79 27276271.54 26963755.83 23973193.47 22844945.98 23299582.89 Pyroglutamic acid 853777.5421 969958.8217 952583.3762 1009794.666 1205955.514 1061474.512 Citraconic acid 1405095.637 1420608.747 1373488.336 1592288.048 1296655.488 1508763.204 N-Acetyl-L-alanine 962994.8021 1043689.181 1027452.494 918533.3259 976436.3668 805138.1215 oxaloacetate 5011033.25 4620620.598 3687991.899 3314367.093 4428588.982 4532448.884 malate 9122133.615 30544937.99 10224491.84 7865248.472 31110691.69 8739258.008 hypoxanthine 1401017.583 624325.6489 637041.9233 19821.02616 36816.96359 32299.74091 p-hydroxybenzoate 7186279.989 7447757.141 7442981.594 7179065.054 7205680.096 8755057.746 Carbamoyl phosphate 45539330.49 46412405.56 45054517.95 37480680.97 39736368.06 42033513.96 xanthine 1749084.352 2212742.138 2007302.072 1846468.37 2560061.733 2117436.388 Hydroxyphenylacetic acid 375482.9451 418231.9835 409179.1538 359670.5804 300446.1175 350600.274 orotate 419755.9396 1139602.397 230446.3472 153534.9893 3436067.756 271294.5633 allantoin 1590921.437 1720973.517 1626785.401 1776377.558 1875702.933 1778189.221 Aminoadipic acid 5417082.359 5334623.591 5458845.539 4965849.281 4592395.548 4793140.85 Indole-3-carboxylic acid 4068833.058 4409158.498 4300470.378 3809188.546 3336613.464 3808639.651 Phenyllactic acid 73005.79762 85652.62896 75304.8094 87390.44205 79481.32748 116953.3153 Uric acid 166138.2239 259061.388 406344.4085 133270.7989 240572.1941 132754.7401 dihydroxy-acetone-phosphate 786233.965 857321.4528 719224.4382 6382524.996 8227915.221 4139131.984 D-glyceraldehdye-3-phosphate 846974.5262 636838.2168 539608.9506 2553586.345 3298168.072 3089706.695 sn-glycerol-3-phosphate 868038.648 967022.3403 921784.1431 3830903.033 3912378.316 3826961.506 shikimate 415041.9003 369604.8062 323411.4386 391693.1096 318257.672 491039.2207 aconitate 468897.7839 603468.1162 494813.2503 477488.8161 450815.5318 450500.4997 Ascorbic acid 2873118.694 2286224.061 3939043.114 3709109.362 1976553.005 4078741.443 2-Isopropylmalic acid 334235.0575 462414.3305 473985.252 174968.7629 166196.9966 170340.839 Pyrophosphate 1049112.718 1618651.522 1379252.463 1372924.308 1727715.069 1966041.341 homocysteic acid 141536.7269 138169.8473 117468.5212 98137.89776 125296.0751 105327.3506 deoxyribose-phosphate 237918.3784 270953.5327 305036.9835 192746.7574 221265.7618 273644.9742 pantothenate 70555696.17 68804188.47 71948826.98 50054282.83 34033874.9 61037192.36 deoxyuridine 233323.2236 275603.6828 292521.2258 218927.3044 236723.6829 254746.7388 ribose-phosphate 1300422.268 1298080.799 1293602.291 1502699.961 1686255.89 1524067.099 uridine 361436.8747 310560.5296 196917.4828 63826.50158 72789.62568 102131.5608 deoxyinosine 86923.39555 63966.42757 56729.26236 27418.18808 41630.58288 29062.52755 hexose-phosphate 3022760.544 2992994.656 2741508.523 8458311.166 8998160.992 8262987.172 fructose-6-phosphate 235302.842 304216.8769 199132.2613 908126.3964 839718.4377 973776.6107 inosine 3625111.992 2675230.7 2293906.638 1317241.818 2178601.69 1445671.549 xanthosine 400690.0393 370304.1697 297740.2308 350812.4687 371429.2249 374255.9917 D-sedoheptulose-1-7-phosphate 869771.3924 975075.2429 792906.0877 2805651.058 2939458.463 2949154.055 N-acetyl-glucosamine-1-phosphate 741544.5058 1171983.856 934846.5372 417494.195 583544.4817 620647.8894 glutathione_neg 7083519.477 8540608.09 7718138.723 3544190.871 3622035.442 3886671.628 octulose-monophosphate (O8P-O1P) 383680.7924 470315.2602 433687.8741 913449.9315 964625.7738 907679.8425 fructose-1,6-bisphosphate 323145.3809 328571.8175 425388.9008 5408122.887 3951642.086 4214279.734 S-adenosyl-L-homocysteine_neg 226238.0164 212974.2341 206427.1476 161272.5896 181930.6195 154493.1504 5-phosphoribosyl-1-pyrophosphate 43329.58502 85902.97028 53474.17164 103331.3608 71611.07072 87277.01023 dTDP_neg 73675.1136 45792.15301 66629.90943 51904.27205 54885.39861 34412.50291 ADP_neg 251775.8813 245746.9396 315760.5236 230549.166 203794.8803 175516.0347 dGDP_neg 249039.2383 425909.9042 261644.9147 260683.1056 240811.2065 374123.0147 CDP-ethanolamine 325908.1509 316983.7197 322856.2476 281463.5098 315032.0132 268302.5201 FMN 81068.67016 100205.7905 93268.35368 96358.63754 78769.6542 70324.21143 cholesteryl sulfate 1147590.959 1147448.447 1020295.914 1200933.299 933487.1967 1019217.94 CDP-choline 144604.5106 129824.9037 116298.6983 83347.93318 74967.66386 69570.80902 Taurodeoxycholic acid 48955.50118 64207.93463 64274.88715 50486.95758 52762.16236 58568.95225 ATP_neg 345903.981 489619.241 490478.532 257256.7732 77485.52078 224039.1288 dGTP 445099.9604 239444.6333 369516.8327 340119.5935 272284.3306 289539.7422 UDP-D-glucose 1432849.632 1551995.69 1551581.738 1407244.14 1380421.932 1514664.735 UDP-N-acetyl-glucosamine 401592.2825 369915.3668 394140.4193 241310.6493 359937.2629 402265.9157 glutathione disulfide_neg 10463441.98 11670965.91 9999452.043 8598209.238 8490965.01 9139490.675 NAD+_neg 7341809.989 7978593.199 8172560.128 6424518.136 6250629.212 6617016.418 NADP+_neg 491638.7094 504688.1291 407531.1755 327202.0981 306678.4867 276809.9071 2-hydroxygluterate 2982536.063 3357238.733 3428762.713 1720117.134 2170778.883 1916732.455 Glucose_neg 851097.1783 826071.2124 954542.652 801562.8472 1107508.562 1233811.442 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID glycine C00037 alanine C00041 choline C00114 4-aminobutyrate C00334 dimethylglycine C01026 serine C00716 cytosine C00380 creatinine C00791 proline C00148 indole C00463 betaine C00719 valine C00183 threonine C00188 purine C15587 creatine C00300 nicotinamide C00153 DL-Pipecolic acid C00408 N-Acetylputrescine C02714 hydroxyproline C01015 leucine-isoleucine - ornithine C00077 asparagine C00152 aspartate C00049 adenine C00147 Methylcysteine C22040 homocysteine - methylnicotinamide - lysine C00047 glutamine C00064 O-acetyl-L-serine C00979 glutamate C00025 methionine C00073 histidine C00135 2-Aminooctanoic acid - carnitine C00318 Methionine sulfoxide C02989 phenylalanine C00079 pyridoxine C00314 1-Methyl-Histidine C01152 N-acetyl-L-ornithine - arginine C00062 citrulline C00327 tyrosine C00082 Phosphorylcholine C00588 3-phospho-serine C01005 N6-Acetyl-L-lysine C02727 Acetyllysine C12989 N-acetyl-glutamine - N-acetyl-glutamate C00624 Ng,NG-dimethyl-L-arginine C03626 Acetylcarnitine DL C02571 tryptophan C00078 Kynurenine C00328 N-acetyl-glucosamine - Flavone C15608 cystathionine C02291 Cystine C00491 cytidine C00475 biotin C00120 Glycerophosphocholine C00670 thiamine C00378 adenosine C00212 1-Methyladenosine C02494 L-arginino-succinate C03406 S-methyl-5-thioadenosine C00170 7-methylguanosine - glutathione C00051 CMP C00055 UMP C00105 dAMP C00360 Nicotinamide ribotide C00455 aminoimidazole carboxamide ribonucleotide C04677 AMP C00020 IMP C06665 GMP C00144 riboflavin C00255 S-adenosyl-L-homoCysteine_pos C00021 S-adenosyl-L-methionine C00019 7,8-dihydrofolate C00415 glutathione disulfide_pos C00127 NAD+_pos - NADH C00003 NADP+_pos - coenzyme A_pos - FAD C00016 acetyl-CoA_pos C00024 sarcosine C00213 1-pyrroline-5-carboxylate(P5C) C03912 guanidinosuccinate C03139 gamma-Glutamylcysteine C00669 cADP-ribose - Itaconate_pos C00490 lactate C00186 glycerate C00258 uracil C00106 fumarate C00122 Maleic acid C01384 2-keto-isovalerate C00141 succinate C00042 Methylmalonic acid C02170 taurine C00245 Pyroglutamic acid C01879 Citraconic acid C02226 N-Acetyl-L-alanine - oxaloacetate C00036 malate C00149 hypoxanthine C00262 p-hydroxybenzoate C00156 Carbamoyl phosphate C00169 xanthine C00385 Hydroxyphenylacetic acid C05852 orotate C00295 allantoin C01551 Aminoadipic acid C00956 Indole-3-carboxylic acid C19837 Phenyllactic acid C01479 Uric acid C00366 dihydroxy-acetone-phosphate C00111 D-glyceraldehdye-3-phosphate C00118 sn-glycerol-3-phosphate C00093 shikimate C00493 aconitate C00417 Ascorbic acid C01041 2-Isopropylmalic acid C02504 Pyrophosphate C00013 homocysteic acid C16511 deoxyribose-phosphate - pantothenate C00864 deoxyuridine C00526 ribose-phosphate - uridine C00299 deoxyinosine C05512 hexose-phosphate - fructose-6-phosphate C00085 inosine C00294 xanthosine C01762 D-sedoheptulose-1-7-phosphate - N-acetyl-glucosamine-1-phosphate C04256 glutathione_neg - octulose-monophosphate (O8P-O1P) - fructose-1,6-bisphosphate C05378 S-adenosyl-L-homocysteine_neg C00021 5-phosphoribosyl-1-pyrophosphate C00119 dTDP_neg C00363 ADP_neg C00008 dGDP_neg C00361 CDP-ethanolamine C00570 FMN C00061 cholesteryl sulfate C18043 CDP-choline C00307 Taurodeoxycholic acid C05463 ATP_neg C00002 dGTP C00286 UDP-D-glucose C00029 UDP-N-acetyl-glucosamine C00043 glutathione disulfide_neg C00127 NAD+_neg - NADP+_neg - 2-hydroxygluterate C02630 Glucose_neg C00221 METABOLITES_END #END