Metabolite_name RefMet_name KO_1.raw KO_2.raw KO_3.raw KO_4.raw KO_5.raw KO_6.raw KO_7.raw KO_8.raw WT_1.raw WT_2.raw WT_3.raw WT_4.raw WT_5.raw WT_6.raw WT_7.raw WT_8.raw Factors - Sample Source:SIRT5 knockout Sample Source:SIRT5 knockout Sample Source:SIRT5 knockout Sample Source:SIRT5 knockout Sample Source:SIRT5 knockout Sample Source:SIRT5 knockout Sample Source:SIRT5 knockout Sample Source:SIRT5 knockout Sample Source:Wild type Sample Source:Wild type Sample Source:Wild type Sample Source:Wild type Sample Source:Wild type Sample Source:Wild type Sample Source:Wild type Sample Source:Wild type 13^-Hydroxy-alpha-tocotrienol 70603.7398 15431.4591 36576.7574 28602.2149 64681.8685 25759.7393 35140.3677 19281.0773 269112.5853 141292.3360 150729.1968 109293.6481 54890.2951 35054.9365 94897.6354 25242.6934 1-Methylnicotinamide 1-Methyl nicotinamide 137306.8428 287576.2942 140348.7258 172952.8848 217864.3333 238411.4707 435837.9440 238235.8445 295908.2027 188100.3252 187741.5145 320434.2499 267075.1058 117077.5867 138626.0365 183417.4495 1-Pyrroline-2-carboxylate/1-Pyrroline-5-carboxylate 91040.3294 90578.9251 91568.5467 134710.6988 130238.4825 75179.7426 109134.9948 110198.8228 165209.0559 260433.2879 145927.8524 170639.0165 164203.1195 93166.7392 220721.0491 130585.7324 24-Oxo-1alpha-23-25-trihydroxyvitamin D3 25284.8960 26602.6616 21774.0596 22930.3576 23008.9037 15716.4888 13503.2185 13777.0734 43395.9760 70341.2335 24976.0968 37126.9041 32877.6916 23277.9545 32245.9779 12024.3294 2-Aminoacrylic acid 2-Aminoacrylic acid 241543.7394 120923.1937 261451.2775 271344.0893 432197.3458 193587.2248 201169.9904 327708.4173 415849.9107 517618.3698 410538.9903 383948.4821 312772.8778 232911.3836 380005.9412 253448.0170 2-Deoxyguanosine/Adenosine 12080.2516 1778247.1700 33037.8849 44133.1313 1275784.3890 103243.2510 65965.9735 32764.1293 2953862.7550 985783.3636 79830.3320 482505.7148 1012588.5260 802549.6854 52319.5592 565681.5007 2-Methylbutyrylglycine/Isovalerylglycine 444995.4203 339181.3485 385498.7892 395607.7546 573501.1339 444271.2771 660518.4910 669083.9285 624225.3234 695111.8599 520291.0402 635904.2770 449212.2392 361829.8714 533624.8200 453567.4141 2-Phenylethanamine Phenylethylamine 16117.9706 15352.2282 14260.4299 15892.9482 13282.1277 13133.2188 13315.2993 14509.5027 12057.8952 13762.7313 14663.9978 13714.4503 14279.0269 15124.8077 13291.6890 15294.4968 3_5-dihydroxy-3_4-dihydro-1_4-benzothiazine 3800.9257 4592.7311 8755.6763 4994.2283 9318.2524 2841.4354 6231.8831 17190.8546 2084.0599 25513.1113 7674.0576 12311.5561 10526.6701 8371.3219 16458.7738 5270.1306 3-Hydroxybutyryl carnitine CAR 4:0;3OH 753155.2295 627768.0040 655592.7118 595510.7176 957455.5620 1222818.6540 1180512.4380 1291530.7130 844992.3612 1195494.3110 741872.8815 1240241.9950 670170.1457 589901.0525 949615.8286 594851.7878 3-Hydroxyhexadecanoyl carnitine CAR 16:0;3OH 227317.9428 62096.8752 132898.9695 93085.9673 252229.2048 157908.2937 200242.6845 93764.9000 1662930.8000 408362.6213 398722.3687 399632.4842 189148.0549 143023.6157 291219.9894 109893.0385 3-Hydroxyhexadecenoyl carnitine CAR 12:1;OH 164235.7924 42885.3613 93418.4738 59926.1450 153480.3760 84596.2618 105047.2702 56229.3197 465714.5852 243552.0001 277227.9200 206485.4401 109527.0022 99411.4022 158355.1249 64308.1949 3-Hydroxyisovaleryl carnitine CAR 4:0;OH,Me 237657.0654 144168.6209 211496.5646 318747.0550 394554.4328 220861.4803 334216.4298 399666.1811 443973.0058 655388.2594 357309.2760 445298.4309 317950.8758 248720.0204 478036.8261 240329.4252 3-Hydroxy-N6_N6_N6-trimethyl-L-lysine 3-Hydroxy-N6,N6,N6-trimethyl-lysine 13874.0423 19921.6832 14827.8637 14447.3786 19328.8387 19872.2741 26995.9891 19803.1561 20867.3938 27576.4703 17480.1230 25225.2510 18827.7486 12668.0503 21966.9474 15038.4052 3-Methylcrotonoylglycine 13422.2038 17099.1034 17563.3305 16655.0920 16028.2344 16334.1359 21227.3016 14007.8942 9272.2306 13769.3461 15456.9458 14168.6225 15363.8842 18449.4134 19435.6088 20026.7010 3-Oxo-10-hydroxy-octadeca-6E_8E_12Z-trienoate/3-Oxo-10-hydroxy-octadeca-6E_8E_12Z-trienoate 9374.9361 9267.8200 9961.3736 7360.7806 10651.5400 8286.7501 12511.0488 11614.3684 13352.8878 14261.3482 10142.7314 14533.3703 9200.0534 7361.1911 9843.0107 6174.2853 3(S)10(R)-OH-octadeca-6-trans-4_1_2-cis-trienoate 12648.0971 7965.0476 11269.6431 6344.5775 8119.9605 6830.6599 12688.9982 9672.6079 18101.9387 18743.8704 12466.3650 14577.7923 8297.6411 6968.9914 11682.5991 5827.9112 3-Ureidoisobutyrate/Glycylsarcosine 21896922.9000 24757636.3200 24648012.6800 17583262.6500 25270637.1600 28209553.6600 24617543.3200 24756978.1200 15326694.3800 28497450.3200 19932362.9400 26200690.6400 20360545.2900 18096539.3300 22012365.3200 16672508.6900 4-Acetamidobutanal-1 529002.2985 607978.0374 826857.3864 598928.1939 1137019.3180 894249.5377 925854.4499 834379.0473 767685.0937 1298545.6070 650903.7537 1191784.4270 630724.5315 665995.0868 916939.1182 489478.5968 4-Imidazolone-5-propanoate 4-Imidazolone-5-propionic acid 105071.5467 84022.9359 135281.8181 98247.2695 143991.5186 114832.2338 108257.1323 92723.8868 92400.5164 180954.1642 103576.3929 130221.2424 100362.4230 138212.2343 119242.8903 72457.7414 4-Trimethylammoniobutanal 14667.0981 14334.2692 13467.0567 14044.0509 14088.8242 15122.1482 15785.8293 14048.3208 14685.4345 15070.7167 14697.9965 14713.9909 13663.4249 14533.2811 15704.1802 15027.8291 5_6-dihydrothymine Dihydrothymine 1780599.2810 2033935.2040 1708460.7490 1314746.5440 1525900.1660 1544950.2910 2318707.3370 2242915.6990 1470151.9890 1722713.9500 2014784.8730 1725527.6340 1903378.3710 1611061.8900 1465314.6810 1510032.1580 5-Amino-1-(5-phospho-ribosyl)imidazole 6968.6236 15242.2954 12296.2156 10130.1827 31303.5177 38008.1297 47076.5791 47169.4089 4045.5401 17109.0526 4788.6238 43357.7773 10258.6065 50571.7743 34316.4063 28921.9847 5-Guanidino-2-oxopentanoic acid 128488.6226 122471.6403 111182.6654 168776.4007 144182.5834 102018.8134 149012.4059 116603.5617 216459.4690 367781.1666 240008.2542 222009.5340 251359.2071 134285.6857 299420.5248 227214.3946 5-Hydroxytryptophol/1_2-dehydrosalsolinol/N_N-dimethylindoliumolate-1 8264.5788 8140.1418 13317.3083 12115.5848 21035.8990 11120.8983 12203.5508 11674.5346 14271.7255 25344.1186 15371.5493 17432.9440 15813.8060 7288.3430 16348.1352 7549.5053 5-Methylthioadenosine 5'-Methylthioadenosine 143959.4443 94076.9665 141739.9638 137649.6701 304054.8490 100082.8116 197609.7836 181811.5396 155631.0943 260508.6543 130140.1159 321180.1902 204467.4595 97028.2633 233948.9765 98830.5041 Acetamidopropanal Acetamidopropanal 5237162.1120 4300969.7400 5472112.8410 6834910.4170 11285698.4100 5197329.1060 6263684.8960 9604528.1850 11493350.0900 19564619.9400 9638918.2410 18330425.4000 7190184.8210 5539798.5110 14066322.8600 6087096.2470 Acetyl carnitine CAR 2:0 18943793.6700 14360521.5100 18603750.8900 27961126.7000 35881149.6500 30439695.8700 46019397.5100 36016361.4100 18108978.4000 47254696.8900 25601172.5700 40993645.1300 33246931.0800 18707032.7900 45262182.2500 21042586.4400 Acetylcholine/4-(Trimethylammonio)butanoate 2730108.8230 2022415.6110 2081535.8950 3700614.2720 3973529.4150 2555656.0410 3945459.4400 4365809.9380 6303089.9640 9386489.8730 6861974.3120 5634959.2740 5489548.5610 2904715.6090 8607428.2930 3614700.2110 Adenine Adenine 671801.5990 1330254.9570 962674.9162 988934.9254 1208427.6470 849393.3051 1053559.9140 992700.8286 779032.1355 1109714.4120 961900.2739 1093212.4160 982768.2579 969331.1761 1169883.9970 1096986.4000 ADP ADP 381234.3642 573799.1428 533785.7993 423799.8092 780786.4455 773182.5085 649109.6934 572381.0762 348348.7278 804678.1370 515507.4129 486134.5409 513451.7945 523658.5849 864768.0234 346020.8835 Alanine Alanine 6200756.6010 5240078.7950 5060818.7020 6045372.0350 9119307.4750 5990833.0410 7224775.9200 7125498.7990 8099777.3660 10325602.1000 8292767.6240 11148400.8200 7085729.8300 5301106.4740 8992822.2860 6601402.7510 Alanyl-alanine Ala-Ala 87983.2614 51944.9985 47648.2567 61248.7087 97668.4237 39264.3633 90194.2308 139227.4420 93823.2761 108467.2893 103674.1526 177726.6603 67887.4921 43282.5902 79987.9119 62599.0675 Alanyl-leucine Ala-Leu 24314.0183 21957.1811 21478.7812 20518.2782 18544.8868 40153.7243 30342.1949 22125.3012 46765.6601 51217.0728 27935.6361 31278.7389 28850.7578 22238.6384 39620.2724 19858.0918 Alpha-linolenyl carnitine/gamma-linolenyl carnitine CAR 18:3 85052.1779 38015.0079 47866.1370 70491.9677 143901.5268 56828.9633 56573.8878 66872.5412 241982.3570 202855.1099 125687.3670 128841.4090 58614.9953 60258.5088 115287.2266 34310.0157 Anthranilate 2-Aminobenzoic acid 4578105.1920 4149330.7490 5498586.3310 4810549.2400 6597791.4630 4673021.3170 6083288.6520 5783747.1440 7421074.6600 10057317.9300 6893196.7070 10801776.9200 6031161.0850 4094913.6230 6299715.9210 6037049.3420 Asparagine Asparagine 438320.5495 303051.5876 415008.5399 356747.9345 520377.0604 356143.3287 404925.5820 476179.9683 486500.9000 798738.9721 494746.1537 647581.4316 490017.6065 391454.6664 565739.4642 325684.5606 ATP ATP 71067.9281 132561.1860 102091.5004 91827.8207 114001.3224 148654.1138 99945.6793 91045.7097 70853.0436 132688.4534 83524.6830 81589.5535 79425.8520 88860.7486 141600.6502 51112.3236 Benzoate Benzoic acid 69198.9257 53483.8340 76460.5468 79860.6874 101958.4565 71296.2287 58220.3697 99412.8308 117069.9593 209039.4662 102442.8882 200548.7195 75822.9377 77392.2719 116663.4664 44758.9536 Butyryl carnitine CAR 4:0 2088305.8350 643320.1228 1597512.7580 3175364.9420 3381673.3720 2783883.9310 4265697.3850 4734326.0710 1358461.1600 6329657.4990 1843581.5000 3436305.5020 3146082.1370 1019140.1240 3871279.2680 1076693.4440 C10H16O(3) 14065.3605 15565.1490 18720.3629 14354.3996 15511.5976 14017.5611 21917.0224 17723.4673 23162.1397 20446.4205 20557.5231 18945.6168 17772.4953 18224.5131 18488.7445 17994.9423 C18H32O4(3) 14486.4447 12687.3558 14671.2216 6547.8176 8877.6125 7972.0061 19989.8688 11834.5025 30077.1912 16002.0302 16895.0624 11829.6985 7818.1208 5379.8821 8347.2783 5736.5528 C20H28O2(7) 33993.9627 30622.6130 26740.8490 21788.8510 36937.8876 18466.4503 24728.5637 34807.1977 62537.2424 60405.4641 29307.0520 57554.3434 48145.6353 20741.0494 35690.4619 15887.6537 C20H28O(5) 15598.3381 10153.0042 8334.8991 11371.4981 12559.0580 15162.5171 14604.2635 15208.2388 31915.4274 20849.7484 13186.7428 16515.1129 14191.8986 8555.6158 12798.4040 15003.7118 C27H42O4(3) 18590.0040 15556.4487 13704.3524 9047.4166 11011.6989 17760.8417 13269.1054 17507.1024 13336.2877 19519.7012 8450.1730 15396.3998 10749.2061 12882.1743 12247.3940 8051.1452 C27H44O2(5) 22500.9843 19280.9337 43681.9812 131242.4966 200433.6936 307845.5542 92349.0130 196874.1551 101861.3831 184228.5949 93322.3063 119140.1604 34649.7425 13251.1277 103243.6024 37917.5743 C27H44O3(5) 18881.6538 13180.7409 53574.8558 11254.0960 18065.2794 21303.1061 29123.9874 32536.0328 22871.5696 44435.4561 25318.9948 34000.3570 13004.1833 16128.7281 17258.0353 8297.1880 C27H46O3(6) 27255.7816 35042.4581 25184.3779 23831.1891 25585.7454 35444.9199 30587.3127 27503.4401 13007.9964 15623.5869 34934.3293 42210.0620 14151.0230 19007.7622 19621.7853 27673.1824 C4H9NO2(4) 651491.6334 591106.6745 761578.1562 837539.5782 1013259.9390 684953.4300 751332.2810 737989.4233 863601.5550 1472293.6820 888533.1276 1258451.0500 829901.2574 678025.0442 1228864.9550 715282.9090 C6H11NO3(4) 169816.3410 205070.5661 232881.3864 154079.9919 240018.8242 313042.4709 273577.6342 237714.2860 146191.7602 251618.3122 178811.7354 288218.9811 172634.3201 274627.7292 238198.5351 176400.5357 C9H13N5O3(4) 36980.3175 18755.8420 42906.3402 25233.3163 32945.5164 30894.7034 51432.9123 33373.8763 20528.5380 53474.3113 33689.3477 89380.4158 56857.7542 38580.1980 35655.6120 24608.9997 C9H8O3(3) 227543.2473 156651.7526 223002.8454 237853.0966 341844.5664 215394.9950 196833.5082 315903.6585 355612.9002 684870.2476 312477.5214 658638.0608 238651.6164 229017.5607 381069.4480 136898.5588 Carnitine Carnitine 68251664.7100 46906748.5900 67193767.5800 70221811.0500 95936895.0500 64624845.8400 80175166.1100 87644880.9300 91648506.7100 119980656.3000 87314636.3200 111380990.7000 81457938.9100 66662396.6600 94404107.3100 64204998.0100 CDP choline CDP-choline 203902.7782 224436.3601 285604.5389 315923.2939 364196.7373 209995.8738 236217.8084 316882.9087 272683.2072 534239.9643 299844.2113 441012.5207 354463.8156 260238.9211 372701.9199 270142.3542 CDP-ethanolamine CDP-Ethanolamine 138119.7520 134604.5513 177509.5387 170787.1905 212058.1410 166715.4696 224794.7609 192925.9956 145751.9820 257939.8893 188050.1829 212677.5037 180034.3586 142907.6888 226630.2314 136057.9330 Choline Choline 31477262.7200 28726498.2100 29469942.9200 35418290.4400 39526018.8700 27778390.5000 33371489.4800 40807223.2100 46522520 49437733.7000 38612487.9800 45503881.1700 39304880.7800 32000553.1800 45856333.7300 30272670.1500 Choline phosphate Choline phosphate 12577634.3600 8851710.2570 9130312.1660 11539543.2900 17408690.4300 15800998.3400 12648451.7400 17996274.1300 19311691.6400 25124662.2700 11787876.1900 15632715.8500 18316286.5600 17935587.9100 22146990.3500 11602028.0500 Citr_L[e] 590759.2672 477537.9463 546774.5142 995919.7945 757609.0847 535910.1847 804435.2551 745276.3016 1426557.1120 1728762.0440 995519.1861 1320517.1850 1206366.1760 824359.9868 1786983.9320 1403084.1550 CMP-N-acetyl-beta-neuraminate 171035.5766 200112.6088 207713.1226 164880.1211 265499.8434 198089.7522 211043.4483 213901.6859 202655.7007 267759.8757 197557.5218 288685.5604 206946.9092 153848.8796 228469.0001 289247.0209 Coenzyme A Coenzyme A 156574.8127 133851.9628 216452.5227 138799.8166 268166.9607 189995.8896 217314.6538 256217.4098 143528.4910 292021.8525 189416.8150 277391.9850 181695.8293 191783.7770 267189.3937 88298.9560 Coumarin Coumarin 35704.8878 22051.2031 39831.8169 33186.2197 50276.3424 34385.2872 25319.7287 50199.0087 62564.5382 103565.4307 50993.0474 90950.9549 37341.6827 36331.5221 64180.4627 20239.7594 Creatine Creatine 9468457.6760 10707503.8500 11827956 9317773.0430 12495557.2900 10636348.3200 9227422.3240 9567237.2050 11189786.8200 14700447.6200 11111899.3700 12815511.2200 10308437.9700 12502619.3600 10759085.6500 7067436.9120 Creatinine Creatinine 1127418.2770 1244800.5100 1398363.1530 1357593.0210 1943056.7910 1368800.8000 1881879.9960 1578529.8520 2175632.7950 2809463.1270 1622150.6220 2378521.5620 1466997.9650 1278264.0580 2165358.9170 1299028.7240 Cystathionine Cystathionine 110568.1648 36059.9863 73759.0096 167440.2364 177529.8254 42508.3361 88364.1592 133915.6782 210351.5228 295037.0594 284818.4536 180169.8094 217023.1392 57101.8562 307592.0412 135695.5641 Cysteinylglycine Cys-Gly 302640.6378 184319.5295 339014.8024 268092.2603 408552.0944 275050.3290 372768.3145 366771.4858 228045.0216 371312.3274 318507.6477 433867.9578 285394.1758 264734.9054 372102.4798 167162.1740 Cytosine Cytosine 120625.9693 146136.5967 137431.7195 133358.4400 158353.9293 97485.1105 153168.4456 135375.7345 121096.5389 178231.6342 139990.7302 160900.1689 132095.2602 119212.2395 160030.2791 120533.3481 Decanoyl carnitine CAR 10:0 44770.4492 22466.0406 39179.9104 47400.9699 61099.9534 44664.4538 55646.7162 62453.8509 36025.4123 32841.6888 43288.6408 17027.8711 20401.3010 31448.9244 38215.8320 14299.4246 Decenoyl carnitine CAR 10:1 39951.3481 36375.6769 44071.5337 72299.5277 108460.1082 61690.4993 81097.0829 64177.5385 80153.5824 165353.7537 73077.3782 59228.7525 40794.4762 45990.6007 81695.5290 26404.8393 Dopaminochrome 7540.2961 13454.8837 9270.3124 8892.5462 15225.6729 9048.2592 14964.9518 17179.1096 17540.6503 17560.2056 10695.7706 30255.3138 20713.6677 13184.4095 18495.9536 8886.1316 Elaidic carnitine/Vaccenyl carnitine 583412.1349 319164.7542 391749.0361 540886.7181 916140.6814 987608.1567 518423.1063 667624.1514 606373.7377 784436.5272 578165.4291 520946.1539 394302.4199 458295.3775 740020.1011 198287.2286 Flavin adenine dinucleotide oxidized FAD 59114.5417 58210.8446 62269.0266 52026.9121 73879.9601 75184.0468 69419.2750 79588.3187 66310.3635 84936.9748 66399.2603 76487.5002 64636.7094 54823.0442 87955.9123 40336.8006 Gamma-glutamyl-alanine/Glutamyl-alanine-1 20544.1021 42690.5381 13867.4684 12934.9287 16313.4261 30663.0834 19496.5916 23047.2157 15096.7139 35498.8123 22261.8727 41879.0690 24476.2509 13544.7118 23399.7945 17744.9620 Glucosamine Glucosamine 177960.7945 210886.2809 229482.8766 163298.3837 306029.9163 226921.0681 231825.2339 236049.5487 186568.7947 369357.3039 151463.1306 453712.7916 173348.0364 199385.8108 221343.7545 155168.0065 Glutamine Glutamine 21890324.2800 24745027.7600 24636793.7800 17573203.2000 25258976.2600 28195429.3400 24604051.4700 24747593.1400 15324212.4300 28487120.9400 19922859.4800 26196886.2200 20353242.7200 18083041 21998472.0300 16660375.6400 Glutaryl carnitine CAR DC5:0 1206689.3000 797606.6378 1376916.6240 1162335.8050 1276182.9670 1345375.8730 1882780.8380 1595348.1340 1250561.2040 1621970.6450 1470776.7640 1212550.2830 1299088.1050 1174324.6740 1774338.7340 1216159.1420 Glutathionate 25619953.6500 16712175.6400 30358327.3400 24278053.6600 36456109.5100 24454928.9700 33553286.1900 33566268.7800 20522913.6600 34487949.2200 28627221.6700 38340388.0700 25617514.2100 24245290.2900 32901548.7200 15346178.3400 Glycine betaine Betaine 41480190.3300 28157368.7500 32075501.3600 38450603.2500 49822862.5000 37926032.4700 52713714.1600 65948063.5900 54653237.5200 58297240.6700 46476131.5900 47386211.9300 39880292.9300 28059652.3700 51970041.3000 31685028.5100 Glycylleucine Gly-Leu 347767.7271 269880.4333 326002.0038 330986.6885 360764.9336 281714.5603 411348.5220 327695.6198 473859.8173 811741.8181 470748.1284 492321.3429 502774.8181 369842.6896 678725.7356 442280.2306 Glycylproline/Prolinylglycine 62434.4328 54673.0951 71371.1849 61006.5413 77184.6074 74217.1441 64512.4928 78118.4137 98007.0041 98015.7366 82436.1076 107312.0005 73698.8209 65135.8907 101438.3698 67040.0039 GSSG Oxidized glutathione 1881094.8560 2110222.6690 2303754.8840 1813254.2870 2870664.5480 2192738.1050 2291598.9520 2329957.4850 2174157.1450 3094028.4010 2132413.4570 3150265.5580 2302711.8370 1686466.4370 2463465.5430 3114988.8060 Guanine Guanine 33018.8161 37156.2127 33379.1010 44039.8545 50487.1545 30585.4000 53316.3650 42364.2293 37941.9255 56538.1607 37630.8834 51955.5155 45584.8498 34633.8048 71521.2306 44049.9017 Heptadecanoyl carnitine CAR 17:0 10461.4786 4705.6106 13607.9896 14938.4560 21479.1901 43007.4096 17533.8970 28595.4550 19677.4114 23103.7847 12905.5411 19142.6963 7078.6191 12301.6267 16250.8991 6874.6754 Histamine Histamine 25842.2248 361335.8791 43687.3208 54245.6260 77681.9369 62777.3710 142697.7035 44372.8391 62202.6508 36949.1807 40778.9853 108750.8343 646508.9885 2112389.1560 60202.0860 56052.5129 Histidine Histidine 4042975.3920 3407326.6080 4485167.2050 4034084.5960 4632234.5580 3392321.5510 3938873.4520 4038560.4700 3397359.5980 4293266.6710 3965764.2780 3742976.4270 3646287.3680 3614553.1600 3808375.4650 3507076.1920 Hypoxanthine Hypoxanthine 7965267.5750 12428811.0400 8004290.0680 7596382.0520 7497573.0540 4405622.8450 8699616.9560 7186621.2600 17006719.2500 16369717.0600 12504078.3400 14697051.1600 11694114.6800 6128675.4060 13646966.6900 6289626.5770 Imidazole-4-acetaldehyde Imidazole-4-acetaldehyde 387131.3636 430072.3628 367306.6741 381050.3471 372274.5907 253879.5971 294213.4284 301105.2942 330214.0425 266363.3499 282689.8559 297621.6904 304077.8585 331100.3878 289071.4238 370810.6026 Isoputreanine/Putreanine 1028186.2760 717937.4807 825733.2052 735404.4931 784335.6648 1238021.4010 1066614.7820 733229.3868 1332989.5330 2318708.7750 1023668.6360 1099364.0100 984081.8222 713644.6027 1915605.3960 825195.7665 Kynurenine/Formyl-5-hydroxykynurenamine 15258.7083 31351.0491 15903.5905 49636.1093 34581.0011 30109.7776 32480.2113 51796.0342 30104.2108 68234.6780 28859.3463 101480.3726 32369.6970 16832.5311 77575.8693 31843.3305 Limonene/Alpha-pinene 10973.8313 14607.1702 15493.5533 10564.5413 18087.0601 13338.5787 16196.4016 12256.9491 23070.2805 15924.4279 13406.2220 11720.6200 11971.9443 15083.1403 18412.4911 10333.2387 Linoleyl carnitine/Linoelaidyl carnitine CAR 18:2 655373.0036 406160.4306 455163.0522 726812.0027 1158129.3620 741409.6317 575150.3678 768301.3491 955765.6325 1033378.2370 820156.8711 693847.1699 484030.1334 481819.9389 986589.6923 266357.0007 Lysyl-proline Lys-Pro 9359.1807 9068.4083 7680.6080 6773.9883 10784.7345 10833.8052 13858.8801 15708.6555 13467.7231 21367.2567 15557.0904 16418.8083 14878.5404 9619.4469 20495.5580 12646.4045 Methionine Methionine 996546.1845 702250.4927 994921.6266 907788.5029 1372097.6170 655821.2150 715185.6880 958063.8980 1100230.1870 1943316.1020 1046283.3250 1715726.7590 1054177.7670 727937.4777 1384712.1170 695260.8548 Methylimidazoleacetic acid Methylimidazoleacetic acid 136833.5057 134986.9634 233324.0082 181429.9984 260711.3704 159306.1491 194437.6734 192897.6496 385251.2743 582300.1312 294822.1913 387405.9473 202713.7372 206173.6128 335272.9044 158927.3876 Methyl indole-3-acetate Indole-3-methyl acetate 12333.9289 12336.3277 15364.1076 12211.9960 25045.6766 12186.6399 13868.7542 19933.8354 13069.0071 22900.1978 14162.8959 29049.9058 14651.7589 13713.7754 21467.1742 10934.2812 Mevalonate Mevalonic acid 133619.9884 153696.7468 143040.6206 109446.9263 147155.8911 172264.4352 149186.4907 141859.5350 90905.2200 162760.1624 119949.4039 164806.1907 118022.0803 108513.9343 135088.9697 97949.6263 N1_N12-diacetylspermidine 21093.6012 33152.0610 26158.2146 23174.9988 32221.2682 21477.7049 46449.7773 52777.5538 23706.6244 52826.3051 33053.0422 55118.7894 36389.3890 28790.5943 48842.0888 36853.1450 N(2)-acetyl-ornithine N-Acetylornithine 121538.0237 121888.0892 119954.1151 125304.1809 134253.1686 127792.1636 197478.6734 129227.8624 164368.0096 237890.8825 152017.1018 188197.1728 168603.2289 130083.8019 176568.5162 143074.2079 N6_N6_N6-trimethyl-L-lysine N-6-Trimethyllysine 708811.0991 2416326.5950 714992.1822 915937.6248 1240902.6400 1292691.1750 648271.9283 1155547.1980 1031865.5460 1682295.6080 638139.9881 1201130.0420 1231806.1800 726617.1249 1153114.9680 1092127.6820 N(8)-acetylspermidine/N(1)-acetylspermidine 44093.4699 88973.3404 35163.9831 91374.1312 42039.0659 40038.5253 55814.7756 34840.5961 1909.8008 8155.0922 28957.9737 1000 29963.3063 69595.7313 39631.5699 45813.5790 N-acetyl-asparagine N-Acetylasparagine 73835.0464 6203.3483 44632.6286 349529.3239 150617.8803 13546.0771 17249.9356 238027.3248 297087.0167 747143.2189 452925.3881 339408.4271 294215.3245 17718.0481 264508.1218 61134.4552 N-acetyl-glucosamine N-Acetyl-D-glucosamine 6771.5558 10692.1771 10434.1361 7069.8718 13383.7457 8879.3912 7564.4307 13749.1316 11275.6390 19194.9872 10416.2918 21173.2019 8176.2203 10127.1264 12243.6332 8674.5096 N-acetylneuraminic acid N-Acetylneuraminic acid 45437.5174 37132.9469 53278.8996 45245.8453 42586.7118 55116.0931 49190.4973 85125.8929 62431.9454 151316.1274 58911.6801 207511.8425 55398.0219 42957.0071 57795.1360 36906.2968 N-acetylputrescine N-Acetylputrescine 114922.4272 114529.6691 112600.8664 109360.7268 89307.9608 97570.6938 101478.1812 94200.5464 88557.0746 73584.4079 96989.8698 74307.7646 96427.2783 104896.6951 74696.9378 116243.9064 NAD+ NAD 212165.7025 279286.1162 363254.2232 242509.9276 513255.4374 538689.9869 738164.9144 695770.9914 148965.0706 422490.0750 271490.1110 345669.1158 306632.7423 427993.1516 439544.4094 511476.4602 NADP+ NADP 75972.3622 81729.3623 120778.5039 77726.4978 123247.7721 131025.8962 110112.0552 139897.9528 55957.4477 106077.6805 112094.2579 58430.4984 87173.6635 108121.9436 128799.7830 60582.0261 NeuNGc 44780.4412 59630.5534 64088.5900 68915.3550 69979.8847 66149.4579 66305.6579 65725.0440 92396.0593 134534.0041 76623.0430 84645.4137 65524.0790 89406.2272 83181.6598 59411.9374 Nicotinamide Niacinamide 51364894.4800 42212859.2200 54042087.5900 47375021.7100 70395244.0200 48360962.1400 61938162.3500 66876345.5600 56911869.4300 84232265.5900 51673208.1700 83314768.4500 59849589.7600 54843144.1200 80389181.7100 42011480.8400 N-Methylethanolamine phosphate N-Methylethanolamine phosphate 693190.3541 587730.4050 638991.1137 626928.2650 725921.3460 654144.5040 797144.3157 903254.2903 825651.0882 847394.8541 788909.3688 714252.0253 652474.1587 608490.0526 768852.5671 630287.1839 N_N-dimethylglycine Dimethylglycine 883401.5658 693393.3464 814771.2144 942206.4615 1205647.3070 792272.8693 942865.8770 1224251.4160 1516527.3620 1928055.6640 1336088.5120 1814902.3390 1171568.8530 842320.0139 1596231.9290 1094837.9370 N-ribosylnicotinamide Nicotinamide riboside 38654.4449 33656.8417 42915.3605 32716.7951 34417.4750 33074.6667 33401.6139 37210.7343 35954.3581 37440.8124 44905.4563 33944.1239 35065.8045 38661.3354 27184.8806 33905.4045 Octanoyl carnitine CAR 8:0 42824.3415 24912.1038 43865.2415 60538.1917 72349.4252 56978.9158 69721.8035 72228.3468 33993.0591 35879.4388 43892.8547 18324.3319 23468.2677 31718.3031 42993.9783 19310.0501 Octenoyl carnitine CAR 8:1 11825.3118 8230.2322 11480.9288 16210.2095 21465.6519 6816.8282 20835.4068 19585.4054 19260.6870 15312.4834 15381.7023 11150.7348 9026.4654 10475.0405 16191.2566 6919.3422 Ornithine Ornithine 1531444.7560 1411266.9140 1553445.8680 2840367.1010 2432990.9540 1339259.5050 1900691.7330 2301644.1620 4057940.1190 9364971.2660 4359834.5480 4520009.5800 4255523.2230 1458300.7850 5434234.5660 2027568.2520 Palmitoyl carnitine CAR 16:0 432004.5217 238550.5485 349194.1663 504013.0058 854933.1704 1106866.6470 555144.4860 669870.3227 761930.1284 668810.7337 374192.6399 406758.8304 322997.5712 554282.5507 591180.8488 169569.4313 Pendtadenoyl carnitine 10955.4359 6202.0773 12827.3670 17139.8688 25465.7611 22348.3891 15518.1238 24938.2916 15903.0011 26966.8327 14427.4584 19379.2728 9705.9644 13493.9971 16480.2201 5660.6785 Perillyl aldehyde Perillyl aldehyde 22642.5470 23645.5523 28525.4819 23896.1237 37056.1560 22484.9984 33629.5268 24607.3324 35021.9598 30958.9883 30982.3446 27093.9239 26588.5056 33509.2913 35852.2946 23116.7711 Phenylacetaldehyde Phenylacetaldehyde 5266.7192 6178.0652 8360.3471 7951.3350 9156.3165 2875.3567 5311.6645 11061.4511 8888.5539 18466.5678 13596.0130 16707.2275 10463.1441 6306.8187 12063.8312 3746.5760 Phenylalanine Phenylalanine 3887658.1060 3561370.7830 4218825.5510 3835909.1800 6447448.7540 4177001.1270 4482044.9550 6434770.4580 3666459.6120 6510437.5700 4090030.2050 8114206.8320 4548907.8220 3969005.4400 6008676.7880 3062933.7710 Phosphodimethylethanolamine N,N-Dimethylethanolamine phosphate 219904.4324 158418.5691 156337.5534 119257.6316 228786.7174 219444.3234 208496.6919 243388.2043 249578.0640 282919.6583 190046.4354 209241.9556 203485.3540 208747.4523 246984.4931 135154.5082 Pipecolic acid-2 Pipecolic acid 1438920.6070 1594932.5740 1512857.5820 1711377.9410 2010937.1390 1688842.8500 1799851.6360 1915581.5810 2298286.1430 4434031.8630 2285553.9530 2931324.9510 2128003.5170 1801130.3140 3511119.1300 1613575.7400 Proline Proline 5237162.1120 4300969.7400 5472112.8410 6834910.4170 11285698.4100 5197329.1060 6263684.8960 9604528.1850 11493350.0900 19564619.9400 9638918.2410 18330425.4000 7190184.8210 5539798.5110 14066322.8600 6087096.2470 Propionyl carnitine CAR 3:0 4438283.9170 2471509.2700 4521577.0190 6731420.9090 7147037.7800 2797108.4540 2646409.9850 7526823.9640 8485025.2400 16171596.4700 8105943.2480 12147127.1500 8293147.6630 4165457.4340 9285239.9260 5666152.8160 Pseudoecgonine/Ecgonine 29954.4715 28877.7654 31879.4942 32498.1973 45315.0019 30857.5396 32201.4512 44761.9949 38423.2476 47875.1011 35325.9443 40159.9866 33323.6033 30505.8338 37807.8572 30269.1968 Pyridoxal Pyridoxal 12506.4421 20089.9616 15154.9951 15428.8906 24774.1925 11823.3621 24714.9898 26166.8579 26109.3253 27078.7243 14294.4662 46535.1738 31404.5799 18352.5436 30424.8206 13066.9145 Riboflavin Riboflavin 42254.5828 18121.9076 41978.2211 51376.3352 45022.9489 37466.8475 46424.8057 53942.5390 29210.3738 92744.9502 51040.8231 98136.5119 51733.3474 36223.4523 71305.0889 40293.6007 S-(2-Methylpropanoyl)-dihydrolipoamide S-(2-Methylpropionyl)-dihydrolipoamide-E 9889.6463 12753.7871 8841.1728 3957.2557 4893.4332 3644.0974 7463.8790 9253.3531 4713.3410 25273.8398 11236.7061 32510.3723 6185.1397 8134.5773 10027.8131 5672.5532 S-Adenosyl-L-homocysteine S-Adenosylhomocysteine 1210974.6560 1299441.3230 1455720.7630 1726453.1060 1444193.8960 1419479.1240 1044343.2060 1499341.8580 1715057.1550 2696109.1450 1612583.8100 2384905.6070 1565109.8110 1160156.8540 1804159.5090 1194733.1260 S-adenosyl-L-methionine S-Adenosylmethionine 533645.3768 306331.9257 617987.1471 556250.1962 875009.4664 367353.5983 624372.5150 658180.7806 428376.3407 933987.6768 444059.4552 785048.1759 577495.3205 368282.8932 799227.1539 372729.2364 Salsolinol/N_N-dimethyldopaminequinone-1 18708.9009 14972.2740 14441.6789 14247.5650 13862.3689 18464.3891 14520.9287 25159.1935 12846.7393 25327.0776 14526.6159 31266.1838 20068.6184 12968.2936 23432.8915 12024.1645 Serine Serine 832785.9632 411329.4735 837214.6960 967381.0277 1132180.9350 604388.7626 656443.6924 1335339.9670 1157314.2240 1664392.2570 1206156.6330 1048958.6630 1285834.8030 583032.9843 1262812.0750 665761.4672 Serotonin Serotonin 8672.3582 18867.2848 9173.4129 6380.5541 22321.6488 7039.9594 19301.3227 15324.5536 4038.7762 13586.0668 6412.6983 24393.1401 24231.1302 12006.4610 12711.7204 10605.2446 sn-Glycero-3-phosphocholine sn-Glycero-3-phosphocholine 5220962.4720 7844161.9210 7178584.5300 6543868.7290 13425620.0100 16406029.6400 18245523.1300 18286601.8500 2269930.6340 8185690.3890 2200471.4340 16257128.5600 6458260.7140 18792202.5500 14291973.0500 13501938 Spermidine Spermidine 339168.7021 355766.9251 282251.6153 287868.7009 157574.8661 206543.4233 205393.1380 208393.5357 332697.0085 115389.9654 284783.9728 172346.0486 262490.8241 288716.6264 169568.1866 317924.2080 Spermidine dialdehyde-1 3739804.9990 2395910.6010 2860161.5150 3169528.1850 4864993.0200 3266694.1390 6544350.3800 6153620.5750 7281818.2040 6737308.1900 5440667.4770 5548196.2440 4377068.1790 2158584.3250 4972535.5240 3438473.0190 Spermidine dialdehyde-2 15792.6591 13440.1584 12090.6815 13301.6008 15343.1617 12894.7723 23544.8268 24666.8434 23151.7794 21521.1755 18403.0278 16210.1720 15490.0070 12537.2832 15026.0610 15303.5009 Sphingosine/1-Hydroxy-3-oxooctadecan-2-aminium 50634.7305 30219.9887 50423.4952 45365.6726 62840.0413 255817.5837 70460.8945 83007.0725 102849.2648 74554.4067 59582.1432 88407.7366 51817.0997 70180.5089 52503.0005 55884.3349 Stearoyl carnitine CAR 18:0 146844.6521 46049.3439 134308.5651 142484.9985 257825.0070 680594.8570 202163.1634 295989.0306 318121.6431 236698.3738 120987.1382 203614.6884 89640.4138 136147.4379 151229.8907 92626.3293 Succinyl carnitine CAR DC4:0 217229.4391 122292.1840 291377.3978 225146.9572 360016.8162 254351.3838 390065.4657 266167.4150 297292.5708 341907.5911 246747.3547 324993.4883 326027.2974 208900.2120 231145.5698 230957.6474 Tetradecanoyl carnitine(myristoyl carnitine) CAR 14:0 113120.3170 50350.0773 105542.0539 103467.9139 253349.7652 155168.9761 202734.9426 168218.4939 216402.4343 153857.0689 163753.5062 91074.6886 86705.0969 129560.9805 150668.5560 48554.9978 Tetradecenoyl carnitine CAR 14:1 127163.3418 55409.6352 128479.7668 97229.3887 210988.0834 116067.1710 182886.4549 166205.6821 141935.9316 120565.0316 166828.2708 74909.7100 70189.7967 91817.4747 119291.4031 42199.0730 Thiamine Thiamine 1287361.3820 910287.2488 1065836.5660 737539.2801 1151523.6990 727250.6288 688916.2741 883918.6147 1457794.2320 1884922.6580 1251398.6180 1706798.0310 862253.8614 992920.9766 969328.9198 699518.1209 Threonine Threonine 1009210.6560 687935.8382 943462.7901 1222179.2490 1427276.1690 857252.8609 1046061.1630 1536956.3480 1599900.9600 2271594.2160 1501800.2490 1844043.5000 1609226.2810 919146.7849 1870352.6040 1149277.3040 Thymine/Imidazol-4-ylacetate 13468.3553 18261.1977 14570.2954 19475.5124 25214.5229 6699.7275 18053.5169 19681.7866 12012.7079 16826.1961 14311.2372 21076.1073 20153.3389 18089.6054 24953.1296 19092.6982 Tiglyl carnitine CAR 4:1;2Me 16260.3552 10809.5563 12224.4719 22076.2437 22389.3537 15553.9372 21369.5541 25826.0330 31798.0339 43560.8737 22095.7644 33787.2677 23823.2505 16770.5461 29342.1497 15106.1717 Trans-hexadec-2-enoyl carnitine CAR 16:1(2E) 207642.3412 124532.0823 157099.6780 171068.6395 359895.2383 247042.2499 197919.5691 221207.3191 408191.6110 232897.4979 221711.0824 173339.0768 115600.7322 170276.4186 224766.0112 73837.2382 Tyramine Tyramine 8797.0806 13449.4016 10091.2733 11953.5668 8544.1045 3287.8996 9988.3116 8945.6567 7978.5599 8688.6781 10082.7509 10059.6182 10233.4923 10329.2813 10657.2258 12202.0301 Tyrosine Tyrosine 1170568.0980 854995.0911 1196399.5510 1306739.7470 1844119.4820 1176446.1590 1029829.9880 1706567.9470 2010321.2280 3670751.8530 1692152.1370 3434085.5960 1302642.4200 1219380.1490 2013579.2780 720950.0310 UDP UDP 335521.2969 194474.1758 495253.7418 269869.5109 326003.8379 399522.0743 533586.9403 442631.1719 365544.2682 399224.1530 199719.5645 108126.2143 278192.0887 284282.6742 406957.4960 97370.6806 Ureidopropionic acid/Glycyl-glycine 448098.6943 306921.2441 421540.0983 361109.8766 521791.1884 358729.3891 406781.8796 478258.5276 495096.2063 801112.5255 499905.8358 647963.8113 494626.8318 392167.0381 568601.4348 335230.4745 Urocanate Urocanic acid 101773.7219 161314.7877 465106.6193 96770.8593 151390.1923 83885.8773 101285.3402 117579.1722 319837.3126 232997.9453 188901.7726 184183.1469 165306.4037 122871.7571 229443.9230 80578.3389 Valine Valine 3185356.4090 3192913.5510 3169604.4990 3219047.7970 3246762.7820 3227062.5520 3291197.6630 3415972.9770 3252112.0330 3414645.7280 3292685.8120 3284386.7130 3235437.3780 3198819.0900 3319606.6390 3255365.6590 Xanthosine Xanthosine 5426.8534 15995.5796 5879.2709 4847.4850 98898.1273 82434.4778 52464.5489 89534.4465 111753.4359 222082.0185 7126.9401 335807.3675 26283.4765 4617.2310 95113.2844 4511.0539