Metabolite_name RefMet_name I2_17 I2_224 I2_229 I2_31 I2_34 I2_39 I4_13 I4_15 I4_18 I4_202 I4_211 I4_215 I6_201 I6_209 I6_216 I6_218 I6_230 I6_232 I8_101b I8_14 I8_98b I8_99b LD10_200 LD10_204 LD10_213 LD10_236 LD10_237 LD10_240 NP_221 NP_222 NP_225 NP_226 NP_227 R4_203 R4_214 R4_232 R4_239 R4_243 Factors - time_point:I2 time_point:I2 time_point:I2 time_point:I2 time_point:I2 time_point:I2 time_point:I4 time_point:I4 time_point:I4 time_point:I4 time_point:I4 time_point:I4 time_point:I6 time_point:I6 time_point:I6 time_point:I6 time_point:I6 time_point:I6 time_point:I8 time_point:I8 time_point:I8 time_point:I8 time_point:LD10 time_point:LD10 time_point:LD10 time_point:LD10 time_point:LD10 time_point:LD10 time_point:NP time_point:NP time_point:NP time_point:NP time_point:NP time_point:R4 time_point:R4 time_point:R4 time_point:R4 time_point:R4 2--3--Cyclic CMP 2',3' cyclic CMP 54892.3900 54358.7700 54358.7700 79793.4600 64455.3300 51353.1200 82799.8200 57641.8000 50528.6100 100081.9000 102929.2000 42308.5500 26761.2500 50945.6200 62404.6900 21764.8800 42002.4800 88935.1200 87051.0900 78545.3500 39972.2800 57210.8000 61415.5700 33459.7100 8602.4350 72449.1300 62342.7900 62342.7900 75367.5400 44777.9100 10199.5900 74711.5500 41037.3100 47438.4700 67124.3400 77372.1300 65814.4500 27375.7800 2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine LPC 18:1 2006313 2103604 2103604 769569.7000 1738814 2758365 1645920 1758642 269928.8000 1691387 1364656 2359085 3631797 1090256 1993139 1722881 2735722 2668877 2521894 1578203 3849331 2249431 1602732 4462456 2657013 1643192 2782704 2782704 2007892 956402.7000 1087486 1979633 2849636 887744 2071948 623205.2000 698231.2000 2461632 2-Deoxy-alpha-D-glucoside 9778373 8327886 8327886 9909975 7986446 7384710 5671088 4525114 8183104 5968502 6554968 7860380 8253120 6438588 8486793 2598296 7508394 6657388 7606438 9466537 8922627 7400952 6486264 7088696 4428744 6044340 7504982 7504982 7053312 7916766 1808662 8686191 4888606 8718233 7676792 4711265 11338920 9727372 2-Methyleneglutarate 3572977 3221933 3221933 2244207 3019583 3398319 3615945 3345659 3084982 2909217 3896378 3936976 4588086 3868085 3328973 2478711 3030939 4250241 3550936 3139764 4109579 3545248 3917379 3484840 3857245 3359460 3054591 3054591 2846237 2314437 1572696 3245162 3333294 3424185 4021011 2890111 3857485 2984454 2-Oxo-7-methylthioheptanoic acid 2-Oxo-7-methylthioheptanoic acid 1514082 1574310 1574310 1375014 1208511 1579140 1144082 791827.8000 1011396 791278.7000 1016728 990150.6000 734066.8000 834896.8000 457223.9000 206731.2000 556739.7000 683560.2000 813665.2000 967115.4000 709016.5000 675451.9000 894790.3000 646465 467461.6000 1124212 1362089 1362089 753532.4000 893988.4000 106925.2000 542902.2000 627556.8000 713854.2000 647528.1000 520409.4000 542098.8000 574853.2000 3-hexadecanoyl-sn-glycero-1-phosphocholine 9897381 14725120 14725120 6896258 12892490 14142270 15472910 12274260 1599422 20374330 11414840 14426440 14159670 15962760 10988360 15520090 15306480 19142330 17453350 9932013 28017140 13122710 6828172 23779710 16260120 14509650 19243830 19243830 16653930 8041712 12090660 10289760 15453360 11518580 10958470 4377463 9153019 18456420 3-Methyleneoxindole 3-Methyleneoxindole 280135.3000 335857.8000 335857.8000 264472 364910 376542 315544.1000 301344.3000 227217.7000 417493.6000 332058.9000 343799 440165.2000 330040.3000 239311.4000 439552.9000 336308.8000 483101.9000 348156.9000 258629.6000 544212.4000 356750.6000 222027.2000 620362.4000 463285.2000 319975.8000 367090.2000 367090.2000 416916.1000 324544.3000 451615.4000 283124 504633.6000 371165.6000 306594 209186.2000 285112.4000 350222.9000 3-Oxalomalate 3-Oxalomalic acid 613309 608426.3000 608426.3000 188552.1000 245774.5000 410517.1000 380348.7000 273015.8000 613126.6000 633598.5000 900571.8000 953547.3000 947475.2000 584272.3000 591658.1000 72327.4000 393466.7000 726903.3000 1423972 938542.6000 920780.6000 590733.4000 666890.2000 619414 213999.2000 1106479 846991.7000 846991.7000 407229.6000 591083.7000 33591.4500 735702.3000 283324.8000 732479.2000 572390.8000 247731.3000 808088 537839.6000 3-Sulfino-L-alanine 3-Sulfino-alanine 127606.6000 65956.2200 65956.2200 62593.3900 94759.0400 104076.3000 74881.9000 91775.1900 23992.4500 155803 197302.3000 90329.8800 66759.3900 52446.2200 65762.6300 23428.2100 46188.4400 101931.3000 124020.5000 97250.7800 21669.8500 16091 79632.7700 97067.5300 13083.7100 174367.6000 127551.8000 127551.8000 29427.2500 67781.7100 2295.9700 50947.2400 37460.7000 76356.3400 27115.9400 42739.6700 22648.8500 55240.3700 4-Aminobenzoate p-Aminobenzoic acid 4770658 5051804 5051804 3355778 4561648 5123570 3310388 3584183 4547760 5156512 8644081 6410530 5365400 4303940 4590086 1417478 3188245 5400636 7956672 5220172 5772010 5684090 9930336 8311348 6461558 15591840 7119170 7119170 3965938 4936310 763895.6000 5828640 5573344 6474026 5329108 2640821 5761262 3708715 5-10-Methenyltetrahydrofolate 5,10-Methenyl-THF 621684.2000 477543.9000 477543.9000 573308.6000 470680.9000 572159.8000 352335 348332.3000 1028828 487895.7000 483224 532728.8000 654833.6000 392525.2000 332734.3000 165111.3000 423960.4000 380961 1061696 482706.8000 663724.8000 434336 528075.8000 565374.2000 526313.8000 1072005 736156.5000 736156.5000 466020 747692.5000 67317.4500 667726.3000 476911.3000 653918.2000 539969.2000 402714 876634.5000 488442 5-6-Dihydrothymine Dihydrothymine 1817774 2365105 2365105 1764389 1685270 1823367 1236364 1302383 1795870 1695234 1746873 1647570 1347594 1388151 1282587 708645.5000 1202809 1697811 2339744 1743572 1439867 1542123 4324294 3485244 2614937 5412712 3966035 3966035 1095493 1467781 569137.1000 1353267 2752847 1549641 1818752 1130077 2064520 1275075 5-Guanidino-2-oxopentanoate 2-Oxoarginine 359132.5000 147022 147022 280674.1000 128518.2000 193183.3000 155978 154687.8000 422461.4000 123446.7000 360773.6000 370232.6000 91645.7600 236595.8000 37965.4100 46177.9900 44645.9600 147261.1000 215852.6000 220224.9000 46525.7700 98048.5100 232640.2000 345254.5000 93912.1600 594168.6000 320506.6000 320506.6000 173288.9000 382759.9000 11150.8200 140866.2000 224581 452023.5000 263339.5000 67828.3800 113025.4000 43911.8800 5-Hydroxyisourate 5-Hydroxyisouric acid 4678144 4482866 4482866 1540322 1960450 3040505 2912078 2341873 4903072 5385960 9195451 8849497 6882296 4672092 4207954 752560.3000 3132881 6307784 13229480 7108522 7224658 5009518 5707318 6690666 2371319 10331830 6030818 6030818 3273017 4960246 198463.4000 5354856 2397512 5512238 4476026 2100978 6823470 3901749 (5-L-Glutamyl)-L-glutamine gamma-Glutamylglutamine 241628.9000 132738 132738 86916.1800 102123.6000 154102.6000 96055.1200 98769.4500 91417.8400 160160.8000 202409.5000 248970.5000 186249.3000 217765.3000 166801.7000 63396.5300 146039.4000 265697.5000 331170.7000 294422.3000 328174.3000 253052.1000 260794.7000 259801.4000 104394 345626.8000 183119.3000 183119.3000 117868 153175.9000 12879.1700 201672.4000 196506.9000 200261.4000 244520.2000 115340.6000 253308.3000 157842.7000 5-Oxoproline Pyroglutamic acid 139473200 145632400 145632400 60752080 94090560 111033600 144096500 126085700 208870100 200112800 221846000 256329000 205900600 137670900 137462900 64859750 119860300 150347200 264504600 159358800 192115200 113330500 126539400 123107700 102302000 141474500 147561900 147561900 122534700 134665100 33815160 120748600 77233290 120279500 123968200 106142600 174940800 142656900 5--Phosphoribosyl-N-formylglycinamide FGAR 13668.3200 13668.3200 16383.4100 6273.3990 5335.1370 4461.8260 7434.1990 5728.0720 2947.0240 4302.4360 26950.8300 7546.8620 50580.6000 68821.3000 5770.3320 92460.5900 20509 20509 2399.6400 5961.9220 4285.2760 23650.2900 25582.1800 20196.1400 2979.9380 6-Lactoyl-5-6-7-8-tetrahydropterin 6-Lactoyltetrahydropterin 286686.4000 282056 282056 183360 165554.8000 233652.9000 149694.1000 213360.8000 313942.4000 259635.6000 381193.5000 342970.9000 352231.2000 191696.1000 198790.8000 62934 169948 286312.3000 388703.9000 240107.4000 229659.9000 206774.3000 275802.8000 302322.5000 133567.4000 370879.2000 349779.2000 349779.2000 166218.6000 316764 31889.1100 328248.8000 168761.9000 342997.5000 234126.1000 162966.5000 308382.3000 209579.7000 Acetyl phosphate Acetylphosphate 522092.6000 557870.9000 557870.9000 544711.2000 569514.5000 515834.2000 574875.2000 583226.2000 453442.5000 497832.8000 402300.4000 403682.2000 488232.2000 544045.4000 569340.2000 741169.2000 613513.1000 437868.2000 373011.3000 486929.2000 450461 502733.2000 457802.3000 462044.8000 631296.3000 344664.4000 430762.6000 430762.6000 570922.6000 504314.8000 764603.2000 502143.8000 566289.4000 493110.8000 526041.1000 642489.6000 485673.8000 517924.8000 Adenine Adenine 4916218 3930591 3930591 2508080 2395868 3452119 2959240 2980437 4264090 3490985 5106210 4907158 3298432 14965510 2240402 1049315 2229584 3443017 4492589 2886376 3544797 4971428 2968698 5181366 1826890 4738356 5324926 5324926 3531049 4181914 737216.1000 3047610 2238957 3498686 3679595 2148753 3521555 2336837 Adenosine Adenosine 20301050 22593280 22593280 18280300 14403600 16361590 13708640 16937150 36291300 23653810 28606700 30944750 26836700 181335700 15765310 9682203 11564580 20531650 31930520 20645930 67273340 39135390 20146970 26996900 29758620 38007140 49676370 49676370 43596550 45556500 3455426 23577340 32420620 21337930 28851380 10652280 19906030 15814830 alanine Alanine 299866200 192499300 241924600 306956400 155035800 154503100 156885200 138116500 173218200 194552500 342858800 276248500 268542100 239059600 194153700 71734370 171183600 252095400 369249400 290958200 280570500 270103200 219695200 368126600 397520000 181024500 508003700 280041000 192269700 329614200 28498640 262863600 139441500 329847600 250654900 156731000 331383600 205942700 Allantoate Allantoic acid 720290.5000 494706.5000 494706.5000 435865.2000 479562 508813.8000 377285.2000 325572.9000 355318.7000 272778.8000 456764.5000 448912.7000 465126.9000 701481.3000 350070.6000 135330.2000 348408.2000 474460.3000 462448.1000 624041.4000 368726.8000 485767.6000 835311.3000 531221.6000 370029.2000 653429.4000 503138.5000 503138.5000 341814.1000 374417 43736.7200 350889 438484.2000 485514.2000 384325.6000 278022.5000 287524.3000 352926.4000 alpha-D-Glucosamine 1-phosphate Glucosamine 1-phosphate 704690 657189 657189 614546.8000 502619.8000 509545.4000 688974.8000 521120.6000 641475.5000 987748.4000 1368062 1049221 1000101 682078.6000 610730 253357.8000 494868.9000 641977.5000 1099193 718389.2000 1047968 789082.7000 1414864 1330252 740055.3000 1989928 750617.7000 750617.7000 503382.2000 572465.9000 66168.9500 644344.6000 824395.3000 717627.8000 469150.8000 309475.2000 672043 370203.7000 arginine Arginine 441381.9000 279867.7000 279867.7000 452797.9000 276599.9000 336087.2000 456106.2000 381641.3000 227724.3000 398507.5000 451555 571551.1000 359366.4000 380681 605346.8000 327158.4000 563165.8000 674360.3000 657959.5000 526600.2000 426538.9000 671535.9000 415987.1000 333504.7000 220204.6000 448010.3000 317578.8000 317578.8000 123294 345592.2000 113821 274917.9000 278073 607219.8000 389728.2000 396774.7000 530036.2000 542394.8000 Ascorbate Vitamin C 690144.8000 955255.2000 955255.2000 847928 427925.3000 445964.3000 680170.2000 658335.8000 1005090 1054244 766399.8000 731239.2000 622693.2000 483236.1000 476540.6000 566465.6000 740989.1000 497494.3000 899867.7000 563990.8000 660112.4000 654086.6000 686638 684905.5000 607769.9000 692868.3000 803351.9000 803351.9000 556060.9000 605480.6000 345147.2000 960684.5000 658816.3000 671408.8000 503829.6000 501863.2000 572369.3000 816775.8000 asparagine Asparagine 9767135 8186504 8186504 5049098 5798412 7579064 6008226 6261342 5963494 7918274 9996715 9821081 7765590 7460806 6640876 2599956 6310678 11444210 11256540 9267709 8306876 8647008 6631218 6802752 3948858 8473365 8427694 8427694 3684972 5706090 1118090 5646890 5450888 7934252 8176024 4947156 7999062 6856202 aspartate Aspartic acid 3073238 3556051 3556051 5764210 2911641 2731938 5665692 4667694 6474396 6542990 9811545 5807680 11614240 11341010 9399587 4533606 6590196 9567301 9204227 8393325 5215400 5083374 6731238 6396970 3350128 5141134 3678643 3678643 6341818 8237234 1956653 6803386 3523961 7706170 6290706 6368344 9630165 6824614 beta-D-Glucuronoside 263961.9000 205369.8000 205369.8000 240410.2000 212811.3000 212770.4000 186057.6000 147941.7000 230030.2000 135146.9000 161630.8000 191595.2000 238060.6000 168191.5000 202339 99610.3000 202875.9000 200896.5000 142816.1000 197146 232414.8000 191454.4000 173642 175760.6000 161175.2000 180415 199381 199381 186899.3000 203487 73767.5700 240295.2000 160313 184080.7000 208651.9000 178278.3000 207770.9000 225991.8000 cis-p-Coumarate 12476380 8738823 8738823 5311974 5729404 7707580 6554100 7517160 7237386 8733681 11328840 13534780 9475093 10256640 7882724 3048373 8238526 10286470 15050280 10125420 10373970 9872304 10700050 14453780 6145834 16882660 9672634 9672634 6587822 8536505 1087759 8015336 9396731 10675300 8140580 5729956 8331884 6899444 Creatine Creatine 133752900 100161200 100161200 57820450 75566620 102636400 91472320 92217150 112378600 130621800 150993700 157065500 104832600 101081700 82140090 30565210 70052290 114807200 206373200 124161000 125246800 128117200 91250460 87900660 46623120 140381500 114400200 114400200 77835870 124200100 15136500 122607600 63491800 121227300 94958280 71454890 148233400 99287560 Creatinine Creatinine 1698933 1717520 1717520 1293411 1367348 1710254 1528123 1496687 1994091 2117135 2229809 2382169 1832843 2293692 1652967 919628.6000 1374135 1827823 2649766 1891771 1891979 1457518 1653118 1459884 1334697 2140479 1943851 1943851 1772714 2014165 868407.7000 2027084 1542447 1887571 1653609 1487353 2225832 1693954 Cys-Gly Cys-Gly 5733780 4870578 4870578 4490028 3998975 4229012 3606122 4351276 5479412 4883876 6410576 6831536 7213310 5575960 6315776 2780663 5388575 5798718 8232332 6453662 5806942 5732414 5718958 6682308 4267318 8056238 5963574 5963574 4100994 6374362 1256914 6244908 4912056 8051620 4273006 4162031 6708670 5322218 Cystathionine Cystathionine 7087238 4617190 4617190 4370700 3479988 3657549 1709261 1555929 2262664 2261093 4450768 3600385 4158887 3182085 2311132 765197.2000 3218349 4721632 4637246 5905272 3842782 4225614 8145494 11172620 2848431 10672130 4731772 4731772 4961884 8720419 290195.8000 5202540 5267140 6511330 4713236 2862389 2772944 2987348 cysteine Cysteine 5128464 3222100 3222100 3872649 1875101 2897195 4486134 2831442 5879126 3087649 4346227 6487126 5553348 5463366 5406930 1965629 4142665 5187666 7136590 4413034 5848594 5663504 6031854 5156326 4751714 5896094 3637921 3637921 4415159 5658598 988847 4129276 4923824 5235524 4093576 2992859 5802164 4171902 cystine Cystine 25043.5200 4712.6390 4712.6390 34650.4500 5229.5370 11874.8400 17427.9600 27809.5200 75539.6300 8344.7230 17983.8500 29062.6000 15541.6100 99580.0900 15688.8400 11365.6100 11799.6600 44531.1000 14056.1200 35769.4700 53483.8000 26918.2400 20757.5600 41369.6000 23056.7600 33664.0600 12614.1700 12614.1700 15338.3000 15293.1300 11391.6200 15201.0800 18670.1500 13173.8800 16401.0200 44451 14041.6300 29201.9800 Cytidine Cytidine 178947.7000 236304.4000 236304.4000 143520.2000 195307 188651 134453.8000 140792.3000 192826.5000 226003.3000 303365.4000 243849.8000 207394.2000 354592.6000 164042.1000 34067.3700 104890.9000 228579 237199.3000 162632.9000 283730.3000 210980.4000 510250.2000 237341.9000 248125.7000 377574.4000 234866.4000 234866.4000 234286.9000 196282.7000 16223.8200 357851.4000 165020.1000 133297.9000 183497.1000 70874.3500 133537.7000 98731.7800 D-Alanyl-alanyl-poly(glycerolphosphate) 122962.5000 247033.9000 247033.9000 113142.2000 53537.5600 126937.4000 42383.0900 11563.2300 59302.9900 42686.6300 156343 130912.3000 140218.9000 74004.2000 93200.8800 2715.0020 35391.7500 95437.5400 119160.6000 137423.6000 111916.8000 87533.3800 196333.3000 249227.6000 35757.2300 293775.5000 363715.9000 363715.9000 50198.2600 153992.4000 78151.6800 51473.4200 202699.5000 98393.5900 13746.9100 123351.6000 49346.9900 Decanoic acid (caprate) Capric acid 177580.2000 180873.8000 180873.8000 187353.8000 174639.1000 135348.8000 165732.8000 178037.5000 170099 194073.2000 157717.1000 189337.7000 181109.5000 147085.8000 182960.2000 174711.8000 182186.9000 197177.3000 125888.3000 155008.2000 161230.8000 187238.2000 145964 162482.4000 183989.4000 177657 134569.5000 134569.5000 166127.9000 195315.4000 136979.2000 156851.7000 179696.6000 180172.1000 172257.1000 186600.1000 151265.9000 172358.5000 D-Glucosamine Glucosamine 1059276 2003683 2003683 1111992 927162.9000 990347.3000 1542904 1376389 1209842 726347.3000 1005445 1355143 1023150 662952.1000 1775021 812902.8000 1491710 1310546 1443622 1408878 1571168 1724547 747233.4000 639498.8000 686155.8000 617293.4000 1436277 1436277 1089926 854664.6000 497208.9000 1111494 823177.5000 1219526 1876107 957492.7000 1245483 1509109 D-Ribitol 5-phosphate D-Ribitol 5-phosphate 37704.6200 70709.2700 70709.2700 16006.4400 49124.3100 42851.6400 29393.8800 43199.5000 16282.6700 60711.2300 54176.7300 32857.9900 57528.7200 26764.5400 9251.3710 5570.3200 34880.9200 70186.9800 89730.9900 63466.6600 77649.7700 60077.2500 52074.4600 58800.5300 18509.4800 119296.3000 76904.8400 76904.8400 14705.8900 22936.0600 2311.4850 36625.2700 39048.1400 48324.2700 12463.3000 38093.7100 40839.2300 27590.5300 Ethanolamine phosphate Phosphoethanolamine 2367189 1844988 1844988 2262822 1966066 2140041 2977080 2733030 2523392 3196747 3484004 3358392 3302019 3284752 3148287 1595647 2126299 3151886 2623906 2460309 2900505 2735312 1849153 1746195 1719393 1725168 2106626 2106626 2646954 2358991 863385.8000 3236331 1597629 2776563 2446503 2268759 2549554 2420535 Fe(III)dicitrate 53618.2600 65829.1700 65829.1700 77057.7100 33167.1900 48588.0400 9226.7700 9567.8510 12838.0800 17267.8400 31724.7000 35575.1400 3556.8900 3388.5460 7295.7690 10431.4700 4469.3250 14765.9000 3544.5720 7585.6410 24761.3700 26310.7400 39519.2800 39519.2800 11660.0800 23090.7100 3422.6470 2338.6420 2930.8200 4199.1960 3262.3290 3145.2080 8640.0070 gamma-Glutamyl-gamma-aminobutyrate 4-(Glutamylamino) butanoate 588063.4000 476431.9000 476431.9000 454464 435236.7000 575829.1000 620845.1000 544269.9000 702923.8000 729127.8000 1110172 1144204 934038.3000 976472.8000 916462.2000 403709 726988.5000 1185765 1264144 1044092 782909.2000 1093719 1362826 1390550 891397.7000 1816094 675110.9000 675110.9000 386534.4000 745193.3000 142008.8000 1033565 797520.2000 962510 598414.4000 551524.2000 956356.3000 689066.8000 gamma-Glutamyl-Se-methylselenocysteine gamma-Glutamyl-Se-methylselenocysteine 479706.4000 675274.3000 675274.3000 676522.6000 561419.2000 635004.4000 631570.2000 905466.6000 897592.2000 720208 775786.2000 656559.5000 573809.2000 460272.9000 377731.7000 239601.1000 358319 828493.8000 1019751 718947.5000 518797.8000 366807.5000 403757.5000 549087.1000 181507.4000 805029.6000 945423.1000 945423.1000 347751.7000 471311.5000 114138.4000 501574.7000 448124.8000 532993.6000 220525.6000 511565.4000 605121.5000 547195.6000 gamma-L-Glutamyl-D-alanine gamma-L-Glutamyl-D-alanine 401808.3000 216707.2000 216707.2000 170885.9000 166770.3000 309672.8000 264881.6000 204751.2000 102103.3000 351650.3000 434927.2000 525099 310164.7000 406582.2000 310278.6000 138302.6000 304753.3000 579916.7000 601190.7000 461403.8000 543850 529127.8000 311115.4000 275497.4000 161654.4000 419515.3000 333395.2000 333395.2000 99789.7000 202573.2000 35565.8300 230831.7000 287600.8000 439609.8000 402143.8000 229071.9000 432338 302388.1000 gamma-L-Glutamyl-L-cysteine gamma-Glutamylcysteine 1302745 1315462 1315462 944643 697042.8000 1297981 1201043 984924.5000 1614465 1080477 1699048 1760565 1413800 1212147 1644992 588667.9000 1365441 1560098 2044877 1495345 1527644 1485951 2010316 1831728 855159.7000 1717611 1727197 1727197 1027153 1488812 232914.6000 1186109 1000422 1892041 1286596 890622.1000 1522603 1167832 gamma-L-Glutamylputrescine gamma-Glutamylputrescine 1282064 851346.6000 851346.6000 699160.6000 752400.2000 1041031 1571843 1142152 201110.2000 1025735 971262 1588748 719622.2000 577983 1899613 420575.9000 1655646 1552737 2026243 1828403 1470818 1715726 1237633 1166286 648566.3000 937508.7000 932352.9000 932352.9000 238184 920993.9000 165426.2000 945819.7000 897413.4000 1977798 1374627 1204352 1963896 1811636 glutamate Glutamic acid 60411570 51659570 51659570 43887820 40892390 53170290 63186470 51406490 67899850 64001470 98049450 94825260 95570630 84317860 97691500 38840830 62561700 77542180 86589020 86855420 64393980 68641760 69653270 62773720 46394040 70611610 62131950 62131950 68432340 82279640 20874790 60166780 41189970 78059190 66650920 55194550 78912660 67703770 glutamine Glutamine 190180200 207002600 207002600 81948840 130022900 155358800 205425100 172141200 298864300 277913700 320904600 360691800 281355400 182371900 185338300 85606760 161189000 212408500 386587400 231820600 280217200 152527300 165839600 168073300 141577600 198420500 209739300 209739300 171710900 177679000 44136620 163069300 101217900 162561600 172125300 147944100 245013600 199815400 Glutathione Glutathione 693767400 594412700 594412700 660589900 465513200 514418500 453347700 536653800 698559600 594254400 778250000 839819300 901640200 689654300 825163000 356577100 683619300 751849500 1084135000 856824000 719378700 739707700 835012900 820122200 507218000 1032085000 751805400 751805400 500155000 804333500 151952700 799840800 627818200 1025212000 591593000 528389700 822557500 691493100 Glutathione disulfide Oxidized glutathione 442180.2000 460786.5000 460786.5000 167348.5000 315543.5000 367629.5000 391531.3000 319370.2000 409498 475537.3000 599286.8000 685204.2000 474520.6000 718764.2000 357626.7000 73382.0200 259258.9000 481227.6000 697078.4000 686548 766397.8000 597055.2000 439417 342745.5000 220444.3000 540087.4000 681990.8000 681990.8000 595071.2000 376166.7000 28637.4400 421286.8000 281384.5000 629499.6000 931841.8000 216972.4000 338416.7000 310796.1000 glycine Glycine 26269950 24870300 24870300 16771810 17690670 21616140 21513790 21445320 25719200 32439330 37954710 39806880 30468680 33450680 25981650 13252780 24426710 34670450 44915960 31684310 35346520 29271530 27806700 29533150 22695110 40124880 29325920 29325920 24698700 31777290 8819895 30652110 22240750 27366520 27321710 19750920 31503210 26232610 Guanidinoacetate Guanidoacetic acid 4260796 3441171 3441171 2571144 2119363 3794094 5957926 4922477 6003972 9679563 11069340 10637310 6560148 10601620 4469551 2210868 4676504 9720821 7761596 7348338 5089614 4416158 3831458 4433316 2252506 6793546 4629698 4629698 6153524 7056632 1303038 9283351 4323140 8681019 6546736 4219758 5340656 4962979 Guanine Guanine 1299263 1084357 1084357 402159.9000 944892.1000 882703 892614.4000 1065105 422177.3000 1513354 1665330 1062720 1093291 738825.9000 616830.6000 379231.6000 542816.5000 706436.8000 888005.8000 539112.6000 1055128 636130.8000 670522.4000 689151.7000 696212.1000 1013047 1529350 1529350 787331.9000 759627.8000 192828.7000 720973.8000 694251.9000 641709.2000 498384 456627.5000 646036.2000 615754.7000 Guanosine Guanosine 2410084 2146256 2146256 893350.2000 1400072 1739732 1311142 1795373 552905.8000 2321009 2480816 1794799 1730676 1307484 978768.7000 616096.8000 892688.5000 1024017 1468686 1115217 1810420 1242526 1210994 1055143 1211278 1323860 2461620 2461620 1159358 1176033 277108.4000 1341550 1062915 1225129 1189414 795638.2000 1125938 1048049 histidine Histidine 25554640 23913900 23913900 16730530 18397000 17621260 17162980 16660330 21094380 18341180 26525990 22376810 23009430 22811720 17211260 13296940 22934160 23465470 29192910 27723390 26469140 24324220 27614430 28791320 21479030 33021060 21889230 21889230 21532320 23783580 8754348 17618540 24206390 22278660 22523020 13908410 17582110 18452460 Homocarnosine Homocarnosine 9192.0390 17452.7300 17452.7300 9629.2390 6649.9610 13770.6300 20803.1000 18666.3200 18198.3300 28455.0600 25497.6300 22357.4700 10999.3500 18960.7700 16687.2000 8944.2000 12539.1300 26029.4000 26367.4500 19239.5700 21866.7800 18185.1100 7043.7560 9328.5520 6024.6690 4171.6450 17206.7000 17206.7000 14531.6400 20471.7000 1898.3090 16154.6000 3866.4500 22408.0200 22712.3900 21697.0500 24918.1800 23170.0300 Homomethionine Homomethionine 161125.6000 116960.6000 116960.6000 68128.8700 55294.4900 61520.7700 166643.3000 113678.4000 261824.4000 308930.1000 306821.3000 419415.1000 93570.5400 234300.8000 91528.4100 21152.3300 65972.8800 62239.0500 300093.2000 97793.3700 123167.9000 120410 128401.9000 157034.5000 28301.3700 301806.8000 135742 135742 24473.9400 164392.8000 193166 71937.5400 44872.4300 61435.7100 62666.9700 126430.8000 86047.3700 Hypotaurine Hypotaurine 6952632 7405400 7405400 6683086 6161204 7251702 2845560 3881249 4601832 3718401 6673174 4455322 3906283 3686764 3249877 1131262 3163617 6433370 4043555 5722726 2421444 2947155 3816227 3467486 1308849 4702098 6911420 6911420 3298968 4096547 482641.4000 4044563 4481977 5167766 4665412 1957143 2297926 2211217 Hypoxanthine Hypoxanthine 210146700 212457200 212457200 69469680 141361500 156811700 127121200 151926700 48281400 216927700 231559200 188853400 166149900 94087770 91903390 38573200 108570100 152593100 225804500 146486100 204676400 161744300 118510700 120272500 77214980 206579300 213338900 213338900 120238900 86924140 19017850 117333100 85750950 136726600 135617300 88312350 129559600 119557700 Indole Indole 672793.6000 549553.7000 549553.7000 279127.6000 443358.3000 427964.7000 422217.2000 465297.8000 368468.1000 742305.7000 724633.7000 799998.2000 554005.3000 659274.4000 388634.2000 287403.8000 444446.6000 710892.2000 761114.7000 474499.8000 743803.7000 721416.4000 552160 783405.1000 400208.3000 903397.8000 577165.4000 577165.4000 363130.8000 482773.1000 194793 532116.8000 689135.3000 634152.9000 500853.3000 245436 499387.7000 526877.8000 Indole-3-acetaldehyde Indoleacetaldehyde 1117019 825522.9000 825522.9000 683245.7000 715519.9000 743902.8000 957590.7000 538331.2000 1745531 728928.9000 892625 1123149 1287862 1027192 1025909 294629.9000 679526.8000 398687 1223119 1108695 730830.2000 707501.8000 1023187 924168.8000 368422.4000 1312007 853427 853427 523377.2000 953877.2000 94952.9800 805446.3000 681769.2000 987804.2000 362790.3000 357025.1000 773625.3000 647429.3000 Inosine Inosine 28083620 29523440 29523440 9056309 19431640 19684670 18883140 23786070 6457586 27951690 26575180 23995170 20432090 13222390 12629050 6137476 14402870 17015960 24861480 16294950 25049100 19096070 16131910 14684810 11985510 24363440 28282200 28282200 20277090 10833160 3115184 13869790 10927240 15156270 15942420 11126100 18937070 17347390 kynurenine Kynurenine 185581.2000 18170.8700 18170.8700 13887.9200 7513.1700 35000.7400 17641.3600 256672.8000 5005.6620 40725.3300 79254.9400 8126.3320 391914 4875.6440 64927.1700 31261.6600 7073.0270 46531.4200 4996.5440 87704.4400 57820.8000 5558.8260 278783.3000 28224.2200 4860.5200 4860.5200 281557.5000 407527.2000 57908.7900 99792.1500 49412.5700 6212.9890 548404 23689.5100 3455.8420 30427.5400 L-Arabinose Lyxose 2292288 1490580 1490580 792325.4000 951444 1407870 957579.8000 1096687 1091997 1480111 2298567 2410718 1544718 1379080 1031676 398743.7000 1240644 2031948 3124404 1980204 2220035 2084958 2166378 2143590 1415350 3826477 1739355 1739355 881311 1234034 149196.5000 1149857 1407510 1779722 1428842 762861.4000 1398565 1188243 L-Carnitine Carnitine 366955400 388227600 388227600 215242200 269393200 342201500 130274200 123084700 143097600 193173400 267022500 237066600 214399800 153801100 158742800 45308270 137249100 227405300 421600300 279547300 307026400 229952200 253924300 238127300 112265200 403414500 537767900 537767900 202640200 248389000 24561960 282272100 142658500 356076300 269124100 161593700 349030500 223753800 L-Citrulline Citrulline 9311375 5001920 5001920 6304486 4334146 5627696 3144212 3517437 6032570 3265235 5061348 5004010 3969495 6130794 2688716 1479242 3453336 5876430 5105218 5774122 4441756 4342912 5896502 4366684 2747698 9554656 6051872 6051872 3648224 5474202 619162.4000 4431396 4126348 6430694 4824212 3119237 4722214 3176781 leucine/isoleucine Leucine/Isoleucine 245085300 216334900 216334900 121571400 120425500 164273600 141781200 140819300 177065000 194586700 268565500 293836500 207266000 206532500 175582700 55680360 164042400 219794500 358777100 232075700 246622500 235073500 266538100 265424300 148788500 387572700 206091300 206091300 142663800 208824600 22498970 176425500 178174000 240202200 188952000 107174700 199321900 159242700 L-Homocitrulline Homocitrulline 936034.1000 1333459 1333459 787475.1000 693582.5000 1260587 344695 376577 754004 717380.2000 896907 713596.3000 421166.6000 504193.1000 253963 139351.1000 364456.3000 535285 1117546 698848.2000 703549.2000 554941.3000 738676.1000 736731.7000 728567.8000 1450064 1864232 1864232 755586.9000 1421087 135068.3000 955600.6000 616515.6000 1563012 1025625 527801.9000 1008709 673607.1000 L-Homocysteine Homocysteine 117512.8000 72504.6700 72504.6700 163707.1000 34923.4700 68681 44981.3800 41903.6400 109871 57170.2200 67417.2700 167129 62573.9500 75212.5700 57716.0300 19080.0200 122568.4000 138477.8000 34074.7900 83526.6900 79999.3500 152303.7000 67485.7600 399505.3000 169682.1000 169682.1000 27573.0600 136627.1000 2667.3540 90312.1500 51351.3900 48980.0500 171521.7000 37769.0500 125199.2000 39035.1000 L-Methionine S-oxide Methionine sulfoxide 605709.7000 346718.1000 346718.1000 235886.1000 222099.9000 357798.4000 172628.8000 165409 221895.7000 186582.4000 610344.7000 485998.5000 648013.9000 1186454 436536.9000 268378 348249.2000 845753.6000 961045.5000 735553.9000 884407.8000 966822.8000 2609834 2373540 2792320 5162432 362650.8000 362650.8000 493881.6000 902921.6000 65688.2100 581243.8000 1732755 794203.2000 925480.6000 357505.7000 779327 452011.8000 L-Octanoylcarnitine CAR 8:0 313582.3000 279290.7000 279290.7000 182752.6000 220403.9000 206875.6000 9325.1410 87976.3400 880584.8000 18170.0300 98931.9100 132306.5000 16228.7800 152958.9000 178975.9000 38269.4300 33080.5500 46935.5700 75803.5200 35377.7600 71406.6500 92174.9400 260375.8000 268176.2000 88157.1000 678600.1000 284315.8000 284315.8000 45694.3500 76918.0100 21569.1800 103559.8000 327944.7000 67118.7700 12002.6600 16874.5100 49265.4200 24113.6600 L-Palmitoylcarnitine CAR 16:0 2164690 2174421 2174421 1366931 1958818 2668451 1470867 1524516 4990701 1633970 2259786 2408591 1477175 2081488 1006620 379990.4000 548662.3000 1247298 2324526 1203115 1483091 996134 864658.9000 926036.3000 524376.4000 1869022 4721264 4721264 1329956 3132287 311067.5000 2326922 665867.2000 1714224 807579.3000 885204.2000 1507928 1127795 lysine Lysine 25527540 31530620 31530620 34139390 22451660 23545720 17673100 14459780 14606520 16382150 18890300 18268450 12758540 11133800 10036930 5920344 13242030 14325800 18369880 16261070 15436730 12577450 14818070 16779980 9952709 20758170 22156860 22156860 15261970 16143420 4072796 10674210 12650550 13879490 13729820 10405210 10446640 11980740 Mesterolone Mesterolone 21143.1300 32972.3100 32972.3100 3793.2590 18721.1200 32498.4700 27186.8700 19544.2700 1599.4300 25157.4500 60919.3200 89649.0900 31212.0300 13635.9100 11796.0500 15884.4700 18039.5200 40849.6500 57759.3800 31604.1900 67450.3800 26506.8300 13664.4000 13904.2500 11413.1400 34689 44413.2100 44413.2100 15310.5500 25549.8600 2380.2620 41670.3600 9256.2830 20124.0100 37866.4600 13339.1200 24159.2000 26310.8700 methionine Methionine 37265510 27271720 27271720 12407360 18164490 25367460 18544580 20348220 17354020 27997350 39880000 41813680 25289930 23857680 20661780 7114646 22151940 33818990 53249630 35082890 36760940 37905870 38265640 37247020 24741150 73138940 31665690 31665690 17042670 22319020 2434257 20561800 24866220 32180030 27143270 13736660 25692190 21392840 Methylenediurea Methylenediurea 1473266 1082512 1082512 547708.6000 780319.1000 1088907 942366.7000 1025203 1161237 1410443 1619864 1672568 1023583 1122390 895114.2000 353904.2000 794618.8000 1234181 2203187 1449692 1461438 1354674 983085.3000 932562.9000 520120.1000 1437980 1176482 1176482 781322.4000 1310865 174672.4000 1289065 687104.9000 1242106 987081.3000 785081.7000 1718777 1068701 N5-Methyl-L-glutamine N(5)-Methyl-glutamine 1355629 558845.2000 558845.2000 360795.1000 399416.6000 772512 683148.1000 648802.4000 166964 812619.2000 1204124 2168407 994003.6000 1156900 1261335 420580.3000 1160972 2110877 2963372 1462828 1683890 2173473 1055986 907287.8000 530532.5000 1378098 812482.7000 812482.7000 331086.3000 860377.4000 104526 613914.8000 600251.4000 2090769 1512018 620993.7000 1729418 1169036 N6-Methyl-L-lysine N(6)-Methyllysine 442433.8000 307789.4000 307789.4000 323936.7000 374744.5000 483242.4000 510553.6000 447721.9000 544712.4000 687171.4000 589986.3000 663653.2000 370990.8000 361858.2000 279097.1000 77141.4200 158939.1000 348186.6000 345710 192102.5000 257009.9000 197175.3000 210078.5000 232503.3000 114259 251682.8000 525921.5000 525921.5000 121655.7000 184857.3000 32569.5900 210318.1000 159146 188399.1000 167784.3000 119404 174179.4000 194439.5000 N-(9Z-hexadecenoyl)-ethanolamine Palmitoleoyl-EA 156580.6000 125720 125720 98191.0700 64614.9800 98012.9700 193368.8000 151656 229403.5000 223070.2000 217230.9000 325108.4000 192933.7000 139778 145160.5000 25072.2300 65530.1600 169439.5000 243209.4000 123292.4000 195099.5000 150693.8000 105732.5000 90859.1200 26893.6000 146339.1000 155921.7000 155921.7000 85042.6900 145131.8000 14428.9800 100665.2000 69992.1200 93585.2300 104256 72913.4000 124367.9000 117545.4000 N-Acetyl-L-citrulline N-Acetylcitrulline 2140621 1258546 1258546 1079820 725361.3000 1592637 1556247 1519760 672196.6000 1585539 2074780 3959366 1735547 2667685 2025736 555498.1000 1804072 2737454 3335193 1942350 2480768 2475072 2232202 1819240 1333871 2304998 2102912 2102912 751190.8000 2111410 174751.2000 1177217 1947177 2935705 2527649 1157954 3184148 1711069 N-Acetylneuraminate N-Acetylneuraminic acid 486214.2000 395745 395745 326010.6000 357291.6000 515676.9000 381967.5000 301770.5000 340333.1000 439255.1000 441592 437096.2000 293080.1000 262055.6000 246969.9000 76055.6500 228874.8000 258829.2000 382109.3000 298537.8000 351649.8000 295527.9000 318174.1000 341741.6000 154990.3000 532293.5000 798167.8000 798167.8000 267083.3000 296386.2000 31569.8100 273498.7000 198488.4000 309890 286915.2000 158563.9000 254351.2000 174145.5000 NAD+ NAD+ 723445.7000 889348 889348 2164162 648987.5000 725558.5000 1052924 959152.5000 9824513 1106631 1080963 1115914 1240709 1895347 1174572 440573.8000 684967.2000 887073.6000 1407978 1178355 959924.1000 616800.7000 1170189 1512511 486679.7000 1238043 1371260 1371260 830687.5000 4135532 198241.7000 1845606 906929.4000 1990442 610668.8000 1084005 1227371 1016204 N-Amidino-L-aspartate Guanidinosuccinic acid 1469772 1461897 1461897 1341127 941834.5000 1443472 1071100 1027242 2217292 2127107 2707155 1586256 1944466 2034370 2074544 626784.5000 1332849 2220105 3053966 2068702 2401593 1866383 2778943 2386500 1716719 3515377 1601313 1601313 1645713 1864945 395914.9000 2218265 1758405 2769454 2169531 1903862 3090156 1706056 N-Carbamyl-L-glutamate Carglumic acid 530773.9000 547644.5000 547644.5000 382806.5000 371856.6000 438273 457409.5000 369712.3000 641603.6000 657015.8000 725923.8000 799320.6000 613027.4000 522078.4000 533265.6000 151077.8000 407610.8000 570865.4000 753580.4000 508042.5000 749882.4000 494002.9000 456744.8000 557070 312377.5000 689562.9000 643603.4000 643603.4000 378466.9000 463158.5000 58129.9500 455904.1000 446897.8000 646224.7000 441980.5000 315951.1000 503567.2000 445061.8000 N-(Dodecanoyl)-ethanolamine Lauroyl-EA 75156.2000 60845.8300 60845.8300 74612.8200 114205.9000 103499.5000 74405.2400 78946.8000 118243.5000 117040.9000 75522.3400 128006.5000 58556.9800 77874.9500 82933.5500 84049.9700 70993.4500 90513.4600 69721.0100 43571.8700 94408.1600 85055.8500 112052.3000 86430.3400 108748.5000 83823 73019.3800 73019.3800 83763.6600 85503.9100 101696 89439.4100 89576.5600 65773.7400 74173.2800 67741.4800 109213.1000 49698.4300 N-Glycoloyl-neuraminate N-Glycoloylneuraminic acid 949150.1000 804072.2000 804072.2000 623303.7000 582327.3000 754998.6000 904862.7000 681765.5000 795712.3000 1188822 1367664 1117088 956939 971291.5000 882811.2000 304569.5000 601000.9000 1052056 1458239 1213292 1135216 1004195 945879.5000 926223.6000 595520.4000 1232596 1189720 1189720 787273.2000 926985.9000 130456.8000 1123009 667665.3000 1105428 908326.5000 647461.5000 1239819 841444 N-hexadecanoyl-ethanolamine Palmitoyl-EA 3070862 3245844 3245844 2360606 1826644 2363580 3609467 2677554 3547611 4257016 3950601 6111232 3636908 2777267 2887659 669263.9000 2276721 4352230 5409232 3698192 4089251 2661113 2377499 2452573 1052759 3204508 4238644 4238644 1895704 2300722 304056 2786170 1755807 3138817 2092621 1348740 2698512 2568347 Nicotinamide Niacinamide 376938000 314024800 314024800 171042400 229022400 300531200 237077500 261576400 89114870 413201500 486537400 520588400 448937200 371718900 300921400 112037400 303612100 447555200 680273700 451655600 452396800 399243400 337282900 373049900 231021000 597954900 436740300 436740300 299021600 372366700 54597660 409048700 249911200 533845900 393353500 235107300 439828900 347411600 N-(L-Arginino)succinate Argininosuccinic acid 264503.8000 162854.2000 162854.2000 356554.3000 197786.3000 158165.1000 169232.3000 99953.2100 484535.4000 138101.9000 232418.8000 304158.6000 237447.4000 273227.8000 236277.7000 126858.8000 182233.1000 234798.9000 286680.4000 290411.9000 161929.1000 174061.1000 340600 323063.8000 199193.2000 432123.6000 209328.1000 209328.1000 197500.3000 475910.5000 57212.3100 378391.9000 210076.1000 327423 339167.8000 186584.6000 298551.4000 199907.6000 N-Methylethanolamine phosphate N-Methylethanolamine phosphate 1091962 1156792 1156792 810540.8000 800245.2000 1097953 527136.8000 559899.4000 803578.3000 782780.8000 1666184 1178911 1836780 1403771 982959.2000 375030.8000 851148.2000 1740350 3090332 1790008 1553987 1263552 3364749 3630351 1371673 5256752 1244686 1244686 823353.5000 1164807 263442.8000 1873892 1693680 1479788 1196424 466338.2000 1333558 766631.1000 N-N-Dimethylglycine Dimethylglycine 16193060 15539820 15539820 15129960 12760070 16147120 8672782 6338552 12566400 9298841 17009430 13074690 14198290 9696761 9103167 3151719 8833725 11355760 15236450 12397830 10546860 12475190 29354240 24573750 15139440 44478700 21054820 21054820 12876060 20065360 1650448 15608210 19953950 19271860 18441560 7736382 13831640 8347768 N-(Pentadecanoyl)-ethanolamine Pentadecanoyl-EA 114517 62097.4300 62097.4300 67987.7400 28411.4700 52677.1400 43828.7500 29659.4900 126931.9000 61987.9400 111637.4000 133448.1000 76370.5400 80683.2900 54124.5100 14681.0400 44492.9500 69266.3100 137254.5000 93145.5000 94363.9400 82949.9600 45148.8100 66155.6200 34401.0100 88505.5600 64179.4300 64179.4300 45136.6400 111606.7000 9527.7280 88365.7600 26864.8000 91528.4800 57897.8900 45712.2800 75505.0500 83839.5200 N-(Tetradecanoyl)-ethanolamine Myristoyl-EA 108020.1000 153095.4000 153095.4000 102771.5000 73070.0900 94736.9500 151296.7000 132240.3000 166163.5000 113271.9000 176459 171985.5000 70496.4000 42467.3400 39934.2000 10929.4800 37380.5600 116448.3000 115911.6000 78998.3600 98208.6300 106393 89268.0900 91197.7900 41920.6300 112569 180045.2000 180045.2000 13996.9300 64698.6600 13711.7800 79464.8500 71348.6200 73195 46323.0800 30397.8000 80207.2900 39987.4800 O-Butanoylcarnitine CAR 4:0 6627688 4410359 4410359 16968840 4358072 5172898 1134055 1203319 29013050 965084.8000 1814367 2060198 1963242 7652510 4210607 1553783 1708161 1008984 2413094 2106088 1374405 2427963 2780999 3991651 2703385 8270744 4765150 4765150 2970414 17499370 1100268 7083262 3272067 7046198 1845259 1739505 3560528 1817775 O-Decanoyl-L-carnitine CAR 10:0 441969 397339.1000 397339.1000 223295.8000 377537.2000 315303.5000 114659.9000 131636.5000 600849.9000 105093.8000 142802 188041.3000 95081.8800 87651.9000 109316.5000 35166.9600 41335.4500 83765.3000 130251.4000 58337.4400 75899.5600 112526.6000 209046.2000 256148.1000 60261.1500 679777.7000 473372.1000 473372.1000 41040 104612 8908.7550 93345.5600 216765 112221.8000 9186.1200 22454.4700 94562.2800 80098.8100 O-Propanoylcarnitine CAR 3:0 55681470 56904210 56904210 69308640 38628350 60666560 33066400 31655060 59617270 40288250 50945870 49444190 51349080 35703130 37563190 13036720 27215440 29805590 51619950 42105590 21009020 18033760 33277560 33106490 14990530 45792380 117136700 117136700 38661010 74103380 7301562 61979760 20220360 100666100 42193090 28911380 68405630 36558740 Ornithine Ornithine 5935886 4826280 4826280 5063756 4356982 3644031 3085891 2782733 2713662 2567553 4256236 3977409 3811253 4452478 3119244 1658606 3727689 4348026 4147127 4995740 4324304 4040953 6196946 6396074 3656130 5650766 4158533 4158533 3281267 3538861 907069.3000 3131235 4227710 3454720 3597428 2534095 2476550 3542312 Orthophosphate Phosphoric acid 78120010 52594880 52594880 40065480 54874180 66815840 44700150 44433480 44021850 89662230 103002600 86337640 68877930 59055620 31604620 16543940 33110730 66705280 109726900 58354830 75717960 48545660 74803420 79839050 31854910 136135500 82980890 82980890 48786910 61588700 7980062 58935160 48831500 72144580 46587270 35810310 66935680 44066580 Peptide tryptophan 69477620 64266050 64266050 63446020 58337710 61627540 38351190 46956960 65853450 56329010 75390060 60264140 63670230 48107600 36917280 20612800 50395030 61120020 110315500 79869210 78174520 63193110 81404870 97751810 68089830 118355500 93206300 93206300 56578020 78031020 11875780 83224780 66458880 83650560 72900010 51096800 91659540 68530310 phenylalanine Phenylalanine 41295170 31500140 31500140 23072910 26462240 32037700 28679090 25171620 38932990 33300110 46102770 50399260 31660980 37589750 29960670 11788320 28333970 45870410 57645740 41502540 47963120 46348630 38728700 41065180 26628630 49035190 35932830 35932830 25795920 34037460 4491958 34103160 31153240 38659300 34938960 22632110 37063080 28569550 Phosphocreatine Phosphocreatine 9060.3100 13574.6200 13574.6200 116979.4000 25621.6200 2407.5110 7502.0810 2216.4320 832734.2000 19255.2600 4256.2250 10120.5800 21253.8100 2667.4590 7775.3590 1713.9460 3505.4930 18293.4900 50259.3900 2966.9990 27526.5400 26640.4200 26640.4200 3206.9630 79899.7600 16669.5300 24126.5400 3462.8400 1702.6910 3044.9740 proline Proline 130030500 76422760 76422760 50187200 55619140 66648890 52647000 45299220 64409180 72305520 113332600 101062300 75699500 95914560 57498740 19632470 53785160 91230200 128111400 92971870 82336460 87900390 147102300 151833300 73892650 229270800 90876490 90876490 63661170 94032540 7562946 72716710 84005180 112342200 85044920 45801620 65124620 57129970 Prostaglandin A2 PGA2 207216.2000 47895.4200 47895.4200 156575 216014.4000 46826.3800 135043.3000 84930.4500 226807.3000 136907.8000 41119.9500 156513.7000 49966.9200 117325.7000 11545.6800 8018.0530 20585.6700 11787.1800 26111.7100 38155.6200 22744.4300 16582.8000 69667.4000 29875.1800 9644.0830 26535.2400 538518.6000 538518.6000 154084.8000 93023.2900 8438.1230 25263.2100 77572.5700 26175.7100 26874.4700 13760.4800 29647.7200 8964.8090 Protein 5-hydroxylysine 236610.9000 130667.3000 130667.3000 201176.8000 164607.1000 185630.5000 62584.3900 120275.9000 222549.3000 166996.9000 250747 131926.8000 154707.3000 105503.2000 105135.1000 37434.6700 100882.5000 142680.9000 210965.4000 163967.7000 147516.9000 89219.7700 235735 251058.3000 199525 329542 298218.7000 298218.7000 86978.8000 227447.2000 9700.2260 203829 183569.8000 112680.3000 162071.9000 128534.9000 247479.9000 154731.9000 Protein glutamine 626275.5000 678465.7000 678465.7000 524623.4000 498535.9000 709178.8000 429058.5000 439669.4000 696666.2000 790996 1272190 957256.1000 796952.6000 667604.6000 540592.4000 253006.5000 518604.9000 890925.7000 1002039 649616.8000 1008379 614804.6000 986575.8000 1140768 637162.7000 1691416 1049689 1049689 373185.8000 660695.7000 48399.1100 560437.6000 757949.6000 597351.7000 512444.3000 355054.1000 734831.8000 471957.5000 Putrescine Putrescine 277521.1000 313712.4000 313712.4000 303602 307626.6000 181500 85693.8000 101329.6000 138438 70554.0200 123015.4000 158596.8000 167988.6000 95102.5100 97860.3100 65755.8800 140963.5000 105968.9000 162787.3000 180558.6000 144416.7000 126852.9000 86902.3100 79914.3000 67853.4900 142984 211589.1000 211589.1000 105897.9000 122431.3000 53168.8900 124423.3000 67752.2100 141172.7000 102391.6000 86140.8000 200860.2000 152751.6000 Pyridoxal Pyridoxal 63437.8900 67333.2300 67333.2300 20535.0800 83985.7900 101927 100550.3000 78911.1800 94611.0300 93870.3800 164524.2000 139882.3000 138222.8000 184196.6000 97952.7500 61655.7800 61192.0200 149840.5000 101885.5000 88801.9000 266720 236586.8000 43478.3800 24430.2600 95539.7700 78934.5000 107874.1000 107874.1000 131752.7000 58770.4500 55121.9500 70796.8400 100907.5000 136921.8000 136629.2000 105623.6000 184674.8000 90810.4800 Riboflavin Riboflavin 139689.9000 73810.0900 73810.0900 121459.8000 204848.8000 67635.2200 204482 159901.8000 168981.9000 124844.1000 83877.0200 127479 121560.6000 151057.8000 168054 115831.6000 124321 112783.6000 105152.1000 128620.2000 76558.6200 100825.9000 66087.4000 58961.0500 108361.2000 106125.8000 115647.8000 115647.8000 108098.4000 161538.4000 135992.8000 245762.6000 64830.3700 155854.8000 66583.1000 143585.8000 127187.4000 222510.3000 S-Adenosyl-L-homocysteine S-Adenosylhomocysteine 12771780 10398790 10398790 11065050 9325486 10966910 7007610 6263286 11792160 7996078 13759700 10322680 9778064 7826670 7422450 2551988 7700868 8570875 12089290 10357610 9811613 9051863 12726420 14709240 7276418 21477460 17235710 17235710 9196860 12689110 924891.5000 11396190 9648649 14003250 12327600 7264782 10553490 6669704 S-Adenosyl-L-methionine S-Adenosylmethionine 405155.1000 394884 394884 492657.7000 389702.1000 404936.3000 367642.8000 522581.2000 554154.8000 507248.4000 288097.5000 637902.8000 451164.5000 686982.2000 565614.4000 193975.4000 507140.1000 558715.2000 864278.1000 830950.3000 847831 704700.2000 524103.5000 590247.8000 374724.6000 606029.7000 354881.1000 354881.1000 334713 438955.4000 126265.2000 868083.2000 413255.5000 619436.9000 394264.8000 349189.1000 666256.6000 966066.2000 (S)(+)-Allantoin Allantoin 1863144 1648388 1648388 1523638 1806344 1884923 1721781 1965273 895634.2000 2267211 2871026 1908694 1654444 2054487 1734697 1056355 1647682 2409420 2229568 1985933 2091067 1725923 2226424 2643214 2223891 2638039 2266242 2266242 2010424 1491386 543735.9000 1936346 2340149 1410892 1660855 2276789 1586966 1386774 serine Serine 11193480 11309830 11309830 8260610 7154992 8587253 7504872 8593433 7207366 10470130 12898510 12754000 10134170 25085090 8164330 4748664 8410531 16118600 15285060 12887830 14779100 12205700 9441321 11901940 8481470 12232430 10016000 10016000 6995854 8224234 1701519 8456049 9923185 9524317 9728789 6442240 10136120 8455751 S-Glutathionyl-L-cysteine S-Glutathionyl-cysteine 207100.9000 195756.2000 195756.2000 157197.3000 145085 79606.2800 672915.7000 354435 739173.5000 362768.5000 289151.8000 388947 358081.7000 693366.8000 321623 77771.4300 189645 400166.3000 363628.9000 364961.5000 362304.3000 280065.5000 487215.8000 483263.2000 286844.5000 407454.2000 179087.4000 179087.4000 330519.9000 283590.5000 43280.2700 312309.8000 340413 457878.2000 299200 202396.7000 135203.8000 240021.6000 sn-glycero-3-Phosphoethanolamine sn-Glycero-3-phosphoethanolamine 4317864 5896200 5896200 6857426 3176969 3881371 7216966 4702720 6346586 8001860 4681166 6064660 5648630 7341050 8595639 3251469 5238807 8439633 5421478 6884126 6324424 7045910 42427770 27245290 22098620 18950020 5936350 5936350 5558036 5847606 1709540 11114050 20615850 5987748 4846638 3918279 5633498 4577610 sn-Glycerol 3-phosphate sn-Glycero-3-phosphate 1277361 833882.4000 833882.4000 1939861 1372792 981271.8000 1233422 914381.9000 14875850 1495903 1433109 2039918 1999837 2280294 4542948 2451837 1377851 1037460 1871562 1196848 1335771 1720127 1344766 1621686 1996699 1518525 1046487 1046487 1565644 2646357 1089064 1799982 1389979 2825756 1339806 1831416 839154.5000 2477784 Spermidine Spermidine 4239400 2656136 2656136 2957889 3121917 2296604 960917.4000 797497.7000 1635253 1389671 2190544 2902913 1755080 832322 1202486 566034.6000 839791 1234179 4146289 2358969 2413617 1713979 1504908 2359770 406055.4000 4325226 3433750 3433750 1039965 1841506 299184.7000 1534503 657287.1000 2443530 1324944 551178.6000 3063355 2001159 Spermine Spermine 242657.3000 130658.5000 130658.5000 94811.0400 100965.6000 68721.8700 29516.1600 23721.2000 71708.1200 142992.1000 151521.4000 244243.1000 160465.1000 102537.2000 97493.0100 18619.9900 37740.6800 93507.2700 258132.8000 177955.1000 152771.6000 48612.3400 112617.9000 357340.7000 18194.1300 396136 224885.7000 224885.7000 35545.6400 96991.0200 6056.7350 117245.5000 32570.8400 177109.8000 62960.7400 38736.8600 139972.1000 152917 Taurine Taurine 244244200 263833400 263833400 225705700 242744100 245429500 220789600 211938000 252062900 218728700 236619300 229610800 158371900 107126800 130666800 115975200 182944100 170004500 230633500 214686900 211721500 199915400 101854600 77356630 54698600 177884600 261931200 261931200 191835700 223966200 94153340 175861700 115089300 212047400 202863200 183575200 226663600 205690000 Tetradecenoic acid Tetradecenoic acid 287897.8000 288606.7000 288606.7000 241927.8000 284677.5000 202023 302303.8000 231231.8000 290597.6000 243926 241431.5000 241431.5000 332768.3000 270610.9000 236213 300853.9000 258101.8000 Thioredoxin disulfide 43657.6500 38967.4200 38967.4200 28108.5400 31423.8800 14694.7300 40640.1900 28081.0600 44739.4300 18737.9500 11500.4100 12264.8400 9955.6550 13931.1600 49252.5400 73043.2000 30165.6600 7998.0570 7489.8980 7524.2510 15169.6100 8942.0360 67533.8800 10036.1100 10036.1100 41129.8000 10362.0700 113300.8000 22246.9400 30297.3800 34425.4300 21379.7200 29314.0600 10467.1900 25627.9800 threonine Threonine 25136890 25053650 25053650 16184680 15930670 20118780 14741660 16526250 18005800 17136910 28452950 27536360 20291180 25738480 14828560 6600618 15116810 28897970 29247150 25505120 25672590 22917070 20783730 21631960 13155960 24470770 23506680 23506680 16970590 21029620 2734461 18993890 15925490 19074090 19010570 12065000 20615470 16052380 Thymidine Thymidine 469012.8000 507214.6000 120187.1000 118026.7000 47361.5500 59310.0400 46370.4500 181653.4000 56247.8700 8989.4860 168138.3000 237599.7000 Thymine Thymine 348896.1000 216682 216682 211582.9000 165611 198798.2000 113406.8000 102018.1000 183734.6000 127666.2000 290314.4000 168086.4000 257184.4000 419250.6000 184064.5000 103682.4000 167943.4000 241968.5000 331832.8000 329036.1000 217047.1000 253548.9000 683631.6000 766784.2000 327589.2000 1107795 360134.8000 360134.8000 263331 462643.1000 89423.1200 289791.4000 575244.3000 498652.7000 406650.2000 148012.3000 237664.3000 180790.1000 trans-4-Hydroxy-L-proline trans-4-Hydroxyproline 4171800 3088499 3088499 2954559 2511037 2882596 2784760 2603600 3311630 5112702 8053424 6116268 6795966 6529808 5483558 2345686 4330386 7015132 7754230 7196228 4792064 5888762 5702732 6961706 4807566 9769372 3182725 3182725 3393985 4928276 646340.6000 3831284 5903056 5088780 3986800 2327999 3459495 2437638 Triacanthine Triacanthine 108996000 78387840 78387840 174595700 100901200 126804600 37349840 30764420 233808800 43225220 61635680 51323230 34248340 68085620 55900820 19892690 26371940 28984040 62245520 56180470 37388220 32132010 55394630 69749780 39564360 145904000 114768300 114768300 65914940 178028100 18523960 188193500 51417880 154564700 65316980 41953280 93908500 47915720 tryptophan Tryptophan 9126165 9376075 9376075 6170334 9669331 8326206 9020423 8440745 4052749 13364410 8968894 12305690 9165262 9358381 8534609 9840895 9030982 11371430 11077500 7851594 17103730 9873807 5555476 14907510 11028120 8982276 10601880 10601880 10849040 7174380 8804124 7803178 11212040 8446416 7509150 4022213 7241610 11193880 tyrosine Tyrosine 60869280 44400530 44400530 23775110 27081370 37969220 32574780 36315740 34724700 41161680 54866110 65944110 44801080 49207950 39565020 15090470 39554440 49099980 72939590 51510480 51346260 48411340 51738500 69371420 27940550 81641820 48925730 48925730 32229070 42105920 5245728 38594700 44601570 51141240 40187480 28363620 40700850 34542260 UMP UMP 2226910 3088367 3088367 3911069 2243915 2559664 2043942 1664099 2964002 3028355 2806223 3552350 2352360 2270634 2501872 759467.8000 2039587 3066193 4624106 3803641 3140127 2828945 2913769 3262384 2023979 3568035 3798359 3798359 2668162 3580148 430125.2000 4153583 2680998 3910808 3381626 1887382 3471277 2691833 Uracil Uracil 4409490 4228197 4228197 3382024 4059020 4575479 3526987 4651083 4457168 4027658 4315742 4478509 3657490 3187191 2598524 2808637 3269043 3243837 2983165 2003444 3441204 2789186 3424414 3295939 3343244 3756922 5054772 5054772 3744646 3574271 1983122 2852321 3183227 2505946 2938649 2507134 2544750 2904735 valine Valine 595995100 595442600 595442600 527026900 430605300 578842200 301030900 255065300 492431000 424280900 616670000 518258300 709266400 587936700 459872100 218491900 627543200 769525500 1379371000 1184785000 914394100 886502400 1790702000 2199558000 1017359000 659264300 659264300 655800600 883047400 136720100 987753700 1474806000 900921700 990673300 353742100 824444900 544856300 Xanthine Xanthine 8486722 8515156 8515156 5736270 8052410 8621929 6458834 9179875 5996200 8785719 7149018 8587575 8473491 7363684 6687678 5130925 7526332 8934767 8214674 6597770 8008478 7647876 8087820 7030468 5766254 8226754 8868291 8868291 7810504 5505446 3216790 7275752 6217756 6109256 6856302 5971002 7209406 7231198