Metabolite_name RefMet_name 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 61 62 63 64 65 66 67 68 69 70 71 Factors - Factor:Berk Factor:Berk Factor:Berk Factor:Berk Factor:Berk Factor:Berk Factor:Berk Factor:Berk Factor:Berk Factor:Berk Factor:Beta Thal Factor:Beta Thal Factor:Beta Thal Factor:Beta Thal Factor:Beta Thal Factor:Beta Thal Factor:Beta Thal Factor:Beta Thal Factor:Beta Thal Factor:Beta Thal Factor:Beta Thal Factor:WT Factor:WT Factor:WT Factor:WT Factor:WT Factor:WT Factor:WT Factor:WT Factor:WT Factor:WT Factor:WT Acetylcarnitine CAR 2:0 551959.7000 1547211 1091339 138076.2000 924098 149746.3000 1645312 158794.7000 455102 541753.1000 286556.8000 189399.8000 1180400 672778.3000 296761.1000 1088450 3247484 2454397 820850.4000 2077774 4464908 2905970 362659.5000 1073567 638192.6000 102023.9000 4357449 464829.5000 799184.3000 1545359 520470.5000 812644.2000 Acetylcholine Acetylcholine 48671.9500 143741 148187 87330.4600 432250.2000 29100.4000 281449.3000 27955.9100 105794.1000 214536.2000 89810.7200 63980.7100 156432.2000 107759.9000 159108 111719.9000 430993 325531.8000 125826.9000 395311.1000 429712.2000 206375.3000 66710.6600 142166.2000 92762.1600 24810.9600 280558.4000 90215.4600 94760.0500 98997.3800 64661.1800 118205.6000 acyl-C18:2 (Linoleoyl-CoA) Linoleoyl-CoA 51144.3100 33214.0800 106124.1000 186060.1000 75191.2500 8216.2190 19973.9800 23295.4800 34043.6000 117477.8000 21654.4000 6478.7320 47648.2400 19322.7400 119456 48661.5300 134547.3000 7809.4360 15408.6700 27724.9600 39251.6900 15546.3500 15030.5000 54491.1200 62904.6200 5926.5940 33287.9000 30282.3800 12676.5300 67974.8000 5759.3090 73109.9400 acyl-C18:2-OH CAR 18:2;OH 6606 7360.8950 6508.5280 4700.1160 14327.5400 4114.2870 9525.9900 8334.4300 12339.9500 7716.5510 12640.7600 13473.9500 5528.6140 4519.9040 5779.1240 4218.4820 6385.5860 acyl-C20:4 CAR 20:4 56456.5200 41222.3100 99358.4500 503557.9000 59478.5600 13999.9500 27368.5000 14947.3500 52282.1600 239430.2000 16373.5200 11284.3600 77166.7700 68095.2300 293310.2000 56988.8800 136785.1000 27263.0300 24109.7800 62383.0300 41515.8100 31695.5600 53092.4800 19238.6300 4250.4580 37665.8300 16391.5800 20018.4600 92278.6200 82591.6900 acyl-C4-OH (Hydroxybutyrylcarnitine) CAR 4:0;OH 17080.8200 23332.8500 20400.0400 5428.1110 8279.5350 3809.8900 36539.4900 4582.0400 7176.4670 24168.6600 3225.8080 2473.6960 22466.6700 9239.8600 5778.4020 31960.2800 100259.6000 75932.6300 25078.5300 89433.7800 120501.2000 87135.9700 2282.5740 48256.8000 16372.4300 8054.0740 122018.4000 8451.2950 11887.2800 54326.2200 14464.0300 11345.8400 Allantoate Allantoic acid 23746.7700 30212.9600 33181.9700 15307.0700 38775.6600 37135.8800 59373.9900 12097.8600 39520.4200 36213.5500 14327.5500 65931.1800 36783.8600 32791.9800 18804.1300 33892.3100 108672.1000 181831.9000 59777.3900 73945.2000 108883.1000 15064.7000 13729.4000 24940.3300 13354.9200 6361.3030 52885.4900 127488.6000 8583.1420 26827.1300 12305.8900 37190.7900 AMP AMP 2800.4580 19282.4100 9088.5500 2197.2500 18111.7400 2162.7920 72891.3600 15901.4600 39082.5300 1791.2000 3671.7120 14420.3400 11075.8900 5283.2650 24791.0700 57990.8600 122439.2000 7742.7100 45794.8100 89691.6000 80446.8800 1618.9510 4009.7220 2211.1520 1576.8800 56721.8900 2226.7870 2232.0520 4740.7620 6186.9240 3089.6470 Biliverdin Biliverdin 8753.0560 19832.6700 40538.2700 35251.8600 65194.4200 24902.0400 61904.0400 42147.8200 7778.7930 5247.1740 11119.4500 12189 71877.7100 34303.2700 24560.8600 4341.9830 7156.7680 11274.9100 6422.7010 24110.6600 11773.3700 butanoyl-l-carnitine (acyl-C4) CAR 4:0 85033.9100 16669.4300 35129.9100 28271.3700 36529.8600 25181.1300 7986.0410 27742.0800 14941.1600 18125.8800 18071.1800 23544.8500 24155.8000 15237.8400 30308.8000 51454.4500 24674.5900 23417.6500 29656.4300 27750.6200 25964.9900 40791.6400 58691.5100 74794.5500 114305.1000 20047.2400 29173.3600 176479.9000 75541.3200 112804.8000 57464.7000 62521.9500 Choline Choline 2912474 4502618 5015564 3162829 6428838 1680818 2070925 1810390 3326143 3327707 2569158 3222753 5125624 2096834 1947240 3706930 5607534 5428296 1599233 4674684 4991004 9850035 2600185 3552537 3669435 1408212 5984886 2828157 3568509 3443601 1496721 3930700 Creatine Creatine 1227418 934865.7000 958756 954753.3000 1146127 380090.3000 864699 462839.8000 280373 562882.6000 707539.1000 729765.1000 1108234 829775.7000 648862.5000 1090538 1695897 1555454 768594.8000 1422307 1586748 1518814 811691.6000 1058349 1102718 412874.7000 2015433 1133544 1079776 1194244 984505.1000 1359493 Creatinine Creatinine 1266431 806196.3000 948100.2000 2500544 925032.4000 894963.8000 1315352 527926.2000 436947.4000 1555349 2160746 989537.5000 770117.2000 786953 847445 851445.2000 651454.9000 562893.6000 799663.2000 578427.9000 721444.4000 987869.3000 683401.4000 794351 1306371 1440398 2723743 1591190 1353496 1311365 1434320 Cytidine Cytidine 153763.3000 31196.6800 117307.7000 79998.8000 52782.7000 131532.8000 19346.8400 79688.7700 53060.2200 45066.0600 35861.3500 188155.4000 41924.6600 34347.4400 57632.3400 48358.7800 42580.7200 78144.9000 85324.1000 35652.3400 29315.8900 62702.1300 108642.8000 93134.7700 86997.1500 124386.4000 41803.7200 84090.1300 24124.7900 270359.6000 100389 83168.1200 Decanoylcarnitine CAR 10:0 6561.3770 6141.3850 13871.1600 6436.5070 6597.8520 6985.2930 5052.1890 10164.0500 36700.3600 27858.1700 15430.2000 10799.2800 7049.2230 8531.0670 7069.7910 6750.1480 16829.2400 9560.7530 8131.7660 7707.0250 6830.8220 8540.2720 7899.1720 23031.5600 6089.8070 7531.3180 14945.4000 8457.5460 15734.3600 8894.2840 7374.7500 7503.6680 Dimethylheptanoyl carnitine CAR 7:0;2Me,6Me 41286.9600 45021.9700 82915.1500 49014.2200 78889.2700 54656.4600 61553.0900 34017.2500 67141.8700 46688.4500 70618.3400 60729.8300 64496.6100 44911.7300 41218.6700 60706.1100 35166.8800 45034.7500 56566.6700 42376.9100 47368.6600 49687.4700 65457.5100 62747.3400 41058.4400 51947.3000 48148.8200 51206.7600 53639.5300 38930.1800 49069.2000 69476.3700 Dimethylnonanoyl carnitine CAR 11:0 36620.0500 29275.6200 56219.3500 57006.1700 35573.5400 30310.6200 18253.5900 33041.2500 35068.7800 28950.1200 43317.4900 45734.7300 47383.8000 41720.3000 26767.9200 37273.2400 281614 28896.1800 29838.0900 39382.7800 23661.2200 27497.4700 45312.2000 16297.3900 30824.7800 19998.7900 38801.7600 34665.0100 37799.7800 28176.9800 42689.8300 Ectoine Ectoine 84454.2700 38381.0900 41385.4800 71460.2300 43358.7700 45413.7500 54083.6100 42944.1800 37715.0900 79407.4500 61492.0900 43885.3600 55494.8600 38170.2900 42182.2500 44922.3100 51280.5500 57193.6400 47700.9300 40044.8600 36249.9800 43390.7200 46708.3100 59783.5700 55339.8200 55163.1600 56564.5600 50535.4800 43155.3100 50188.2200 66380.2800 Glutathione Glutathione 29110.8700 59779.3400 16019.7300 41267.2000 103437 3755.3480 45820.3200 45616 10784.9600 10714 21781.0100 9573.9940 54382.6700 8891.6920 302926.5000 74688.4300 86168.5600 80021.0100 8608.1650 70797.0100 24478.4300 269229.1000 45698.7900 59071.5200 40425.5500 36649.8000 Guanidinoacetate Guanidoacetic acid 44938.6400 42692.8400 46666.6300 13055.8400 63632.8900 4653.6990 115874.9000 6276.5330 22084.1200 62243.7700 4282.7180 1982.8790 12349.0600 11890.0800 7658.5710 8047.2910 81083.6200 63391.5800 6642.4830 44660.2300 144022.9000 111074.6000 5258.2660 15480.6400 4369.4360 6782.3980 48937.0300 4210.6340 5817.6260 4529.0910 4094.3130 55792.1700 Hexadecenoyl-carnitine (acyl-C16:1) CAR 16:1 23206.3100 31084.6100 48463.3900 49197.9400 37127.0500 5477.2770 5539.3330 19527.4400 48652.8600 22069.5400 12494.8000 16987.0100 12991.7100 31594.9300 41757.5300 38897.6600 4682.3580 9938.1870 6044.3980 19817.2000 16370.7600 15120.5700 29507.1700 27195.9700 15530.6100 46197.7400 66884.1800 6300.7310 90463.0200 43213.3700 Hexanoylcarnitine CAR 6:0 112206.9000 61493.2800 77173.3800 65164.6800 50374.9300 36491.1100 20444.7900 33774.0100 58570.2900 65989.9600 58055.8600 78425.1100 85006.8100 47795.2500 123499.8000 55113.4900 79666.6300 69481.1300 68197.6600 32833 63782.4300 60918.8800 53178.9000 63314.1000 96814.3400 36659.6400 72368.3000 107812.9000 66769.5900 118679.7000 43740.6600 130244.5000 hexanoyl-L-carnitine (acyl-C6) CAR 6:0 112206.9000 61493.2800 77173.3800 65164.6800 50374.9300 36491.1100 20444.7900 33774.0100 58570.2900 65989.9600 58055.8600 78425.1100 85006.8100 47795.2500 123499.8000 55113.4900 79666.6300 69481.1300 68197.6600 32833 63782.4300 60918.8800 53178.9000 63314.1000 96814.3400 36659.6400 72368.3000 107812.9000 66769.5900 118679.7000 43740.6600 130244.5000 Hexenoylcarnitine CAR 6:1 37588.5700 34381.8400 23575.2000 64568.8400 7487.8790 28324.1700 16118.7300 20308.8900 33360.6200 17840.5700 15157.6500 13304.7500 22421.3800 16690.6500 89798.2200 7135.6420 18841.7900 28498.9500 34469.1600 19000.1200 17692.6000 9281.1220 26549.0700 28946.9400 29519.4600 29211.1700 15713.8600 11844.2400 10638.9500 18919.1900 21445.7600 26732.2500 Hydroxydecanoyl carnitine CAR 10:0;OH 12180.8200 22255.8000 16746.1600 14482.2900 35816.4200 7866.0070 7287.2270 12362.4900 26420.6300 27374.3400 8853.8250 14916.4200 15928.7700 14304.3900 11199.0400 29959.1700 29252.4700 33855.5600 27979.8900 14013.2300 22027.9300 21722.7800 5043.3300 46462.7000 14663.0800 10144.8100 32346.7400 7536.2720 18832.7600 53309.9700 9048.6710 18948.8800 Hydroxyhexadecanoyl carnitine CAR 16:0;OH 34460.2100 64187.8200 66829.8500 37516.4700 52985.0400 26139.8300 6905.9430 17634.7000 70387.9700 5254.5150 15079.9700 45479.8600 18304.9300 51374.5200 119981.3000 66087.5400 70309.2000 79885.3500 120685.2000 135923.5000 36027.0400 98133.5900 24361.3800 10471.7000 171514.3000 57168.7300 37825.8600 182303.5000 9629.4520 75398.0200 Hydroxynonanoyl carnitine CAR 9:0;OH 28464.5500 17449.4200 20813.6000 22922.4800 208258.7000 24169.9300 7993.9040 27010.2200 35011.2300 10608.0700 17597.9800 20117.8300 10353.1100 21750.3400 14867.9900 14731.7900 21016.1800 18033.0800 22140.4700 13910.8300 8818.1080 16924.2900 24284.2300 18833.1800 14812.5200 13915.2300 18269.0600 11332.0500 54999.7200 16479.1900 23308.3400 Hydroxyoctanoyl carnitine CAR 8:0;OH 110239.4000 22690.4600 37517.0900 71287.4500 18686.9900 116276.9000 20424.1800 61100.1800 35794.5400 39887.1600 19132.3100 64322.4800 39413.5000 10572.2000 33870 36675.0800 34948.2400 35141.7100 52404.9700 31552.5300 29628.2500 39897.8600 64342.0200 64548.2900 57813.5000 66271.7400 44929.5500 80244.9100 31291.9100 121250 53974.8600 78896.4100 Hydroxytetradecanoyl carnitine CAR 14:0;OH 21097.2600 11345.0500 29247.7100 6256.2970 22999.1500 8020.2950 5373.6960 4170.9880 11970.2000 5760.2970 17032.1300 13663.9800 8954.3920 13050.4400 40534.7400 22028.4500 34394.8800 21931.8400 22873.9900 40555.2200 16753.5100 6254.9470 66598.1300 29642.5600 5701.4200 66091.5100 19455.0200 25788.4500 99476.1200 4794.5680 24296.1100 Indole Indole 210314.7000 180920.5000 197401.8000 182314.6000 215731.2000 141495.4000 164331.7000 155051.4000 139525.2000 146510.2000 189096.2000 195853.3000 192664 153724.8000 179327 215379.1000 148192.1000 213639.2000 186869.7000 141785.9000 179191.9000 34707.3200 44167.3000 19430.7400 137685.1000 196730.3000 128275.4000 201754.5000 192687.4000 163467.3000 Isovalerylcarnitine CAR 4:0;3Me 108835.7000 49555.4400 110547.5000 50919.1800 130026.2000 90283.3700 93489.5200 60958.1000 232795.7000 117225.6000 208006.4000 516311.7000 359287.9000 217260.4000 140667.7000 42381.4800 131052.6000 49270.7300 179237.7000 122278.9000 141493.8000 26901.4800 75082.8700 79193.1300 110642.7000 39203.8100 18590.7100 199812.6000 65215.5500 141498.8000 92726.5700 90481.2100 L-Adrenaline Epinephrine 67222.6200 170381.5000 111008.4000 31360.8800 167731.6000 13290.7500 421951 20618.3300 40614.2100 176771.6000 77170.2000 21816.4400 189018.2000 88173.6000 69754.4000 143087.2000 314578.6000 544586.2000 109221.5000 380642.8000 383306.1000 439722 20424.2400 47120 75861.8000 23013.1200 455756.2000 100053.4000 52869.7900 51414.3600 44214.2900 122728.9000 L-alanine Alanine 612201.6000 863184.8000 730808.4000 681358.8000 876497.5000 654603.8000 1324884 452393.8000 640745.1000 2089544 680022.2000 2710308 613184.5000 629734.6000 495487 1174573 1815907 2201715 1231010 1212856 1511019 1091259 655274.6000 655629.4000 683801.2000 585708.5000 1121539 655087.6000 713238 1373440 458410.3000 694756.8000 L-arginine Arginine 94650.3100 110440.6000 200366.1000 100857.8000 84808.7500 63692.8500 142421.2000 104753.3000 110774.5000 132139.8000 63236.3200 1156382 66473.9200 89380.6900 96458.6200 238967.9000 315490.4000 229956.2000 55067.9100 236862.3000 308496.7000 1638536 46705.9800 65714.8800 54975.6200 42518.1200 708419.9000 66414.1500 62115.5000 159541.8000 52414.5500 92122.1200 L-asparagine Asparagine 10549.6500 36605.7000 38837.6100 24913.7100 10397.9300 18471.4700 58144.4700 23136.9000 13095.4900 9741.7820 29092.0300 100765.4000 41430.2700 24120.0800 20123.6300 28059.8800 87188.0700 121061.8000 11876.1100 75129.4000 96735.8800 72413.9800 25296.8700 27559.4400 26367.5300 30207.2800 49747.3400 30740.2900 28888.4800 10744.6400 21046.5700 31203.7500 L-Carnitine Carnitine 714348.8000 866979.4000 947893.6000 281629.5000 1098708 143183.2000 2242739 204572.7000 618248.1000 1021561 436458.8000 442843.4000 1086516 685011.6000 622383.7000 941308.8000 2188885 2473082 1088438 2634385 3575748 4061166 275657.8000 483420.6000 298185.5000 133758.5000 2420279 337803.2000 475139.6000 590133.5000 408420.1000 873754.7000 L-glutamate Glutamic acid 164542.6000 482421 477267.5000 132681.4000 370306.8000 81147.8400 488061.8000 123118.5000 109480.3000 275353.3000 177838.2000 462835 482110.1000 310627.4000 231682.6000 448168.9000 830030.2000 1060335 160378.3000 555061.6000 1087345 928008.7000 245632 271822.5000 149586.6000 70133.0700 725044.6000 167827.6000 298274.8000 281787.7000 160756.2000 246382 L-glutamine Glutamine 148151 109209.6000 125174.4000 103218.4000 160443.9000 43631.3900 168956.7000 43913.0300 28682.1200 123773.3000 38322.0300 120331.6000 137017.2000 71432.4100 46240.8900 126395.9000 252741.9000 159498.9000 60976.9400 257660.4000 230536.5000 179806.7000 29181.5300 121540.2000 89738.5500 44006.1100 123797.2000 121224.3000 95150.1200 119826.4000 83820.7000 119265.4000 L-histidine Histidine 133675.6000 183795.8000 278397.2000 141098.7000 206437.4000 164450.6000 282600.5000 93948.3100 118567.6000 219619.5000 132447.8000 3314721 165920.7000 137579.6000 121101.6000 165271.9000 392450.7000 719635.7000 174192.2000 316605.3000 401785.2000 342794.1000 75121.4700 109469.2000 98383.1900 109488.4000 185612.2000 140599.3000 115580.9000 194038.3000 95670.0400 170784.7000 L-leucine Leucine 4007255 1737832 2195863 1081056 2030082 1422460 3237891 1546704 933939.3000 2684341 817518 6635440 1702722 1123106 1646266 4619976 5477724 6783904 1914357 3845913 5528248 3258409 4332670 2865440 2889256 952675.2000 2998158 3732557 1990468 5919848 1829681 3172127 L-lysine Lysine 67690.3800 252930.6000 205816.1000 44879.3100 223000.3000 59004.5600 336426.8000 63832.8900 159640.6000 277361.8000 61628.0400 317052.2000 138127.8000 122236.2000 107856.2000 188119 602917.9000 449567.9000 81102.9500 382970.7000 535679.6000 348826.7000 55041.9700 107134.2000 61900.1800 38650.1200 187691.5000 64930.8400 63422.5300 79103.0500 49329.9200 155148.5000 L-methionine Methionine 8822.5400 83087.1300 88049.8200 1774.9810 85574.2400 1597.5960 236536.6000 46684.2000 125306 8107.1990 51183.7800 59688.8000 20404.0600 21871.5100 78041.7100 538130.2000 463010 31057.9100 328686.5000 585969.6000 246156.2000 1775.0620 24114.0400 10891.3100 245194.1000 5497.9450 6085.7870 35918.7800 4457.7000 17120.3800 L-Methionine S-oxide Methionine sulfoxide 39374.8500 55509.9900 74450.4400 5717.7560 65377.8100 21792.8300 74976.9500 22083.1700 29244.3100 79357.3200 8297.0840 69112.1500 44597.1200 38006.5300 46981.4100 118685.3000 173829.6000 127686.2000 38493.6300 101778.6000 130520.8000 108983.5000 63513 66876.3300 38016.5600 8217.5050 62872.3300 47262.2900 31508.0600 88448.3200 19327.2100 66497.8000 L-Palmitoylcarnitine (acyl-C16) CAR 16:0 624084.3000 395020.5000 586202.2000 1109325 433963.6000 71942.5900 215192.4000 92497.5900 354889.2000 1432734 220825.7000 152989.5000 520451.6000 230235.6000 687780.6000 1070248 812130.3000 534530.7000 251522.3000 427361.4000 873474.9000 414668.8000 157093.4000 804225.2000 366821.8000 109628.3000 1532889 443921.5000 386195.5000 1155625 74099.6800 1072655 L-phenylalanine Phenylalanine 2025619 371133.6000 688250.9000 599947.4000 681863.8000 606421.8000 638798.1000 652243.7000 297415.5000 909881.8000 264665 3020311 576316.6000 367834 583457.1000 1862087 885929.8000 1275073 668011.7000 1128826 942798 776421.3000 1521699 1036859 1431079 451033.4000 703749.3000 2201434 1029775 2294075 1031507 1501477 L-proline Proline 1094545 1484465 1653060 710868.7000 1549661 705321 1823371 542062 862835.8000 1346282 772760.1000 5012143 1553810 1114900 757454.3000 2116108 3738182 4396856 686370.4000 1772930 3092329 3274651 722180.6000 1069223 654596.6000 498881.4000 2360454 767666 740021.7000 1221241 594669 1334321 L-serine Serine 52044.9100 94823.4000 105737.9000 35473.3200 80838.0300 85230.5100 162129.9000 40867.6800 59226.4800 99180.5000 45786.3600 1544890 83312.2500 82051.9400 39114.7700 82300.6500 261075.5000 476617.9000 94503.1200 142194.9000 224632.7000 157874.8000 49727.4000 52713.2700 40875.0400 37637.6600 149457.8000 37950.6800 50002.5400 55530.6800 46171.6500 74021.1200 L-threonine Threonine 95271.3400 139016.5000 153667.7000 69761.3500 128164.8000 65145.9900 210184.5000 52859.5800 94200.1600 189781.4000 86350.4500 1012846 94012.0500 87968.5600 71021.9100 123309.6000 401683.4000 403217.5000 86179.9200 212414.7000 377515.9000 250882.4000 114851.1000 80890.5200 58906.5700 91131.4000 202712.3000 71184.3400 85296.2500 78042.9900 56157.4700 111079.2000 L-tryptophan Tryptophan 614983.1000 139262.8000 315181.5000 187577.4000 254874 284971.4000 129831.2000 326755 189984 332823 88936.2700 2240532 173835.5000 120322.4000 199558.8000 513722.4000 223632.7000 398474.3000 273703.3000 233262.4000 264785.6000 235636.9000 536799.4000 439696.7000 557794.4000 191761.2000 144817.4000 947256.3000 396046.5000 896539 421467.2000 508473 L-tyrosine Tyrosine 200836.2000 123968.4000 176663.9000 144041.3000 147937.5000 144073 319652.4000 107615.5000 91225.3800 153000.5000 98174.6300 699717.7000 155842.6000 57334.8600 125138.7000 296360.3000 322656.4000 642119 157928.9000 324304.8000 423194.1000 253157.2000 301255.2000 170534.2000 208191.7000 69903.9000 293966.2000 96178.7600 152601.1000 319690 137633.9000 198974.5000 L-valine Valine 8829963 5139232 4617774 2647524 4163219 8994681 1773498 2399983 4472512 3589564 6471854 6709582 6353156 5937518 7705194 10700000 8719952 4587376 9988109 11900000 8014340 4710802 4092325 2745619 2018415 10500000 3229308 4097593 4514348 3301123 10900000 Nicotinamide Niacinamide 2139008 1158281 1633553 1068644 1609170 822423.2000 4026981 539169.1000 1104652 1900070 677700.2000 637663.5000 1741508 952669.8000 790941.6000 1668481 2325006 3209207 2557800 3418750 3261531 2166482 964062.8000 1828738 1443926 679523.1000 2960663 1028162 1947253 3126484 4266086 2381152 Nicotinate ribonucleotide Nicotinic acid mononucleotide 9319583 7646998 9948648 7917306 8590767 11000000 6074504 10500000 22050.4800 37656.5300 8084588 7056406 7972282 8150794 8409291 9694759 6864954 6414094 10700000 7590772 6187704 7932406 8741152 8072948 11200000 8423871 6090946 10400000 9846657 8842739 7928894 9661837 O-octadecenoyl-L-carnitine (acyl-C18:1) CAR 18:1 111399.6000 91389.2400 139394.5000 254657.6000 82979.0200 14363.3200 26873.3800 35931.9700 78146.5200 255171.7000 52246.9500 12234.4300 80068.7400 45561.5300 219807.8000 210723.3000 216959 51349.1100 12508.2500 28567.4100 96596.7000 131560.3000 39482.6600 165159.7000 112440 25596.3700 112883.4000 128844.9000 60590.9600 331559.3000 11094.1200 155796 O-tetradecanoyl-L-carnitine (acyl-C14) CAR 14:0 98307.3500 88597.4600 151754.5000 156745.2000 96068.6600 21571.5200 26307.8800 52265.7000 82230.6600 351323.5000 57948.9700 41429.1200 62673.3700 42672.9900 122290 152393.9000 135618.2000 90363.3800 28516.9000 40140.2600 97474.0100 46375.3900 20970.8500 76118.9600 50466.0100 8723.6080 142546.6000 103449.8000 33979.6300 181010.9000 6655.0890 163382.4000 Pantetheine Pantetheine 407958.2000 51263.3400 226253.8000 239734.6000 98389.2200 558622.1000 25667.9100 230472 226000.6000 100309 50224.7000 145558 47520.0500 54882.4200 146856.9000 176313.4000 75261.1700 332217.8000 135646 70801.5500 40995.1500 161865.5000 362157.3000 284522.6000 175143.7000 366591.9000 74324.5900 332170.2000 72364.7800 549405 221432.9000 361262.1000 Pantothenate Pantothenic acid 472644.1000 69586.3100 132725.6000 102297.2000 93276.7600 86933.0900 30589.4200 154602.4000 15277.7400 20063.0900 73013.1800 154920.7000 124937.2000 91005.2700 144201.6000 288664.3000 56166.1100 47712.4400 63805.4000 105969.5000 73275.1600 75524.1600 501015.8000 279488.8000 447213 83256.2300 91821.4300 877103.3000 446573.4000 516566.6000 360645.3000 267239.9000 Pentadecanoylcarnitine CAR 15:0 6835.0130 27883.1000 10320.2200 113963.4000 15181.4600 3975.2670 3255.4270 11803.3000 3923.6460 27325.1200 8581.6510 12846.4000 24009.0500 185763.6000 10209.5400 21612.1600 18454.3500 23702.3700 4206.7020 5786.4180 11790.6100 7957.1630 21343.0700 20101.7700 12434.8300 13639.2700 5971.5590 4181.4460 6162.4450 12414.3500 Pimelylcarnitine CAR DC7:0 59355.5500 11172.3600 25961.0100 25282.1500 28823.9000 44775.1600 4259.7060 51698.0600 31796.7100 17859.2700 12451.4200 18311.3600 16221.5200 20271.3500 21696.6800 28016.1100 12336.1400 10005.4300 25983.3200 14305.4200 7744.5490 15188.4700 43953.9900 33608.6800 60842.4400 34750.3400 6425.7030 78442.6300 41190.1200 66658.2100 39415.1800 34148.3200 propionyl-carnitine (acyl-C3) CAR 3:0 74618.8000 47538.7000 57276.9000 38762.1200 59309.7800 12411.9800 78697.7200 61913.3200 9504.9470 35514.6300 35958.1500 39242.9500 54222.4100 44701.6900 39623.5400 56269.2600 93775.4400 118003.9000 18526.5900 63987.7900 118037 166991.3000 85565.9500 59122.3500 91655.6300 13368.1400 97237.2800 111454.1000 78781.5300 110253 67331.0200 60337.6800 Spermidine Spermidine 1509134 1713384 1564094 1926289 1881871 2504388 1711488 1717056 1637039 2314360 1117801 1997637 2118496 1323958 2515626 2158585 1244692 883996.2000 1774258 1413741 1090494 1586080 1643447 2402771 1703928 1573493 1393047 2100949 2268625 1509126 1476764 2048665 Spermine Spermine 175089.7000 210150.9000 165519.2000 199153.7000 164609.8000 291767.8000 216896.8000 398637.5000 204190.8000 195849.3000 51425.8000 400092.7000 177976.9000 137944.2000 217393.6000 251881.8000 41082.3200 22791.2700 285907.5000 70794.2000 85215.0400 180817.4000 160143.8000 278569.6000 253055.8000 160079.7000 131094.7000 167548.6000 250119.6000 283726.4000 308196.2000 213318.2000 Sphingosine Sphingosine 2479061 2994735 3272359 1659108 5547036 1880294 4186441 1687822 4834433 5416796 1510752 4055681 2391290 3442105 6929218 3949048 5615926 1318196 4841618 4640114 3541454 1164458 1081989 2396214 1344551 824342.7000 1951989 749031.3000 2783623 2353458 2829871 4512242 Sphingosine 1-phosphate Sphingosine 1-phosphate 39446.3900 33946.6600 56954.8600 52063.7400 72550.2700 65088.8800 38988.7900 43933.6400 37869.7700 41982.0200 99424.0900 39850.9200 96170.8800 49628.3600 50441.7700 28986.2700 32694.0300 47717.8200 48136.0500 38667.3900 32741.5000 19049.9800 17912.5400 39319.2200 26133.7200 21157.1100 46580.5200 41124.7900 55910.8000 35738.2100 39116.5200 69484.0100 Tetradecanoylcarnitine CAR 14:0 98307.3500 88597.4600 151754.5000 156745.2000 96068.6600 21571.5200 26307.8800 52265.7000 82230.6600 351323.5000 57948.9700 41429.1200 62673.3700 42672.9900 122290 152393.9000 135618.2000 90363.3800 28516.9000 40140.2600 97474.0100 46375.3900 20970.8500 76118.9600 50466.0100 8723.6080 142546.6000 103449.8000 33979.6300 181010.9000 6655.0890 163382.4000 Tetradecenoyl Carnitine (acyl-C14:1) CAR 14:1 15416.1800 18560.8800 14749.6700 17377.6800 15880.6500 16440.4100 48279.1200 12436.4500 5958.0420 8387.4050 19281.2100 14763.7900 5323.4730 6169.6370 15642.6300 13407.2100 13045.2700 31377.3400 58998.8400 4425.4190 28037.1400