Metabolite_name RefMet_name A1 A2 A3 A4 A5 C1 C2 C3 C4 C5 C6 Factors - Infused:Ang II Infused:Ang II Infused:Ang II Infused:Ang II Infused:Ang II Infused:Saline Infused:Saline Infused:Saline Infused:Saline Infused:Saline Infused:Saline 10-heptadecenoate (17:1n7) 10Z-Heptadecenoic acid 188835.7000 445964.1000 305725.1000 393043.5000 340506.9000 332712.4000 311356.4000 347146 268789.3000 100020.1000 272132.6000 10-nonadecenoate (19:1n9) Nonadeca-10Z-enoic acid 44412.4000 146042.6000 89838.9000 127602.8000 72087.4000 90676.7000 77908.3000 113712 63480.8000 24565.9000 70785.1000 12-HEPE 12-HEPE 1109448.4000 2260985 2184652.5000 1918623.8000 2039065.4000 2522545.5000 1662894.1000 2230790 1547098.1000 473960 1899771.3000 12-HETE 12-HETE 845820.3000 940353.9000 1362275.6000 1643310.8000 1244194.4000 3125605.3000 2029352.8000 2332207 2944339 568454.9000 2317183 1_2-propanediol 1,2-Propanediol 774086 1163129.6000 680573.4000 817265 888084.5000 533602 761786.1000 1113037 839733 933569 689411 13-HODE + 9-HODE HODE 156083.2000 317283 380994.9000 374187.8000 291387.3000 373589.4000 266867.2000 277561.2000 213674 56666.3000 234842.7000 1_5-anhydroglucitol (1_5-AG) 1,5-Anhydrosorbitol 1668072.3000 1841247.8000 1831514.4000 1317251.9000 1776432.8000 1195296 2151959.8000 2529190.5000 2086490.6000 2165751.8000 2001281.6000 17-methylstearate Xi-17-Methyloctadecanoic acid 17438.6000 50518 24536.7000 26005.8000 28474.2000 35474.9000 25007.5000 43321.5000 19720.9000 25163.8000 1-arachidonoylglycerophosphocholine LPC 20:4/0:0 54116.4000 83390.6000 97114.9000 25630.4000 169174 53069.2000 78008.1000 45777 368762.7000 85249.1000 58383.4000 1-arachidonoylglycerophosphoethanolamine LPE 20:4 159233 316480.3000 203755.2000 232758 186934 294371.9000 237130.2000 305982.2000 264300.3000 48457.3000 218048.3000 1-arachidonoylglycerophosphoinositol LPI 20:4 37867.3000 36680.9000 59543.6000 60705.5000 57783.3000 31498.6000 52561.5000 90866.3000 99734.3000 10309.9000 73099 1-docosahexaenoylglycerophosphocholine 129335.4000 140244.9000 164679.3000 127205.9000 171172.5000 105430.7000 114396.9000 83099.6000 398958.8000 90539.2000 115914 1-linoleoylglycerophosphocholine LPC 18:2 458838.8000 554016 670800.7000 249338.6000 829367.5000 355817.1000 656160.2000 376229.3000 1903308.9000 400270 484600.6000 1-linoleoylglycerophosphoethanolamine LPE 18:2 96153.4000 222440.9000 146444.2000 135803.8000 140955.3000 199008.7000 145083.9000 156341.1000 165276.6000 20490 108615.1000 1-oleoylglycerophosphocholine LPC 18:1/0:0 172716.6000 194995.6000 153349.5000 122443.9000 271972.8000 135296.1000 193271.2000 123725.9000 384718.4000 119927.4000 157604.5000 1-oleoylglycerophosphoethanolamine LPE 18:1 148482.5000 204502.6000 202588.5000 172371.6000 187903.8000 213717.8000 203733.4000 221221.3000 221852.3000 42330.8000 171387.7000 1-oleoylglycerophosphoserine LPS 18:1/0:0 76880.8000 77825 101854.6000 87452.8000 53960.1000 64597.3000 54176.4000 55232.3000 70070.8000 10530.6000 64574.6000 1-palmitoleoylglycerophosphocholine 31385.2000 46853.1000 58150.2000 44497.7000 92198.3000 39120.7000 47788.2000 28028.1000 123820.5000 32151.2000 32027.4000 1-palmitoylglycerophosphocholine LPC 16:0/0:0 940862.9000 687863.4000 680744.2000 926561.4000 935557.3000 814779.9000 1007699 784360.4000 1506350.5000 585061.6000 590581.8000 1-palmitoylglycerophosphoethanolamine LPE 16:0 245538.2000 249847.3000 234568.7000 202544.3000 229122.1000 188328.8000 149627.9000 176947.9000 185818.4000 33441.9000 159852.8000 1-palmitoylglycerophosphoinositol LPI 16:0 14589.2000 27431.7000 29207.5000 19866.1000 14690 27022 20900.2000 17886.8000 44747 28060.5000 1-palmitoylplasmenylethanolamine LPE P-16:0 or LPE O-16:1 106560.3000 104515.1000 116149.3000 108639.4000 96045.1000 107313.1000 103216.2000 140578.8000 149410.7000 23346.3000 88822.9000 1-stearoylglycerol (1-monostearin) MG 18:0/0:0/0:0 86041 102180 127264.9000 127569.9000 142725.2000 61342.3000 52240 52083 100260.7000 122296 53814.6000 1-stearoylglycerophosphocholine LPC 18:0/0:0 384951.8000 218418.6000 73012 392129.8000 355529.1000 277269 353645.3000 303949.5000 229673.1000 192085.2000 174097.9000 1-stearoylglycerophosphoethanolamine LPE 18:0/0:0 158706.9000 173508.6000 191806.6000 143012.2000 129698.6000 156227.2000 127364.3000 143477.6000 134857.1000 34870.8000 116114.8000 1-stearoylglycerophosphoinositol LPI 18:0/0:0 51622.4000 60863.7000 82724.7000 59587.1000 49353.5000 76485.4000 39329.3000 70340.8000 72576.3000 7310 58973.3000 2_3-diphosphoglycerate 2,3-Diphosphoglyceric acid 4291128 4116786.3000 4501413.5000 3067632.8000 3972965.8000 1713122.8000 5161208.5000 3713411.8000 3312612 2379545.8000 3140983 2-(4-hydroxyphenyl)propionate 4-Hydroxyphenyl-2-propionic acid 373964 288672 334981.4000 191861.7000 222945.7000 90786 172382.6000 179992.5000 255604 174065.9000 2-aminoadipate alpha-Aminoadipic acid 1288592.9000 1124663.9000 1099584.4000 838404.4000 918800.6000 593653.4000 845134 728253 607968 937163.8000 699074 2-aminobutyrate 2-Aminobutyric acid 1467156.4000 1060001 1181237.8000 898967 1141596 638672 1393370.3000 913830.1000 968668 1084565 636560.3000 2-arachidonoylglycerophosphoethanolamine LPE 20:4 44548.8000 43337.8000 59889.1000 45704.5000 49886.9000 125692.5000 54807.2000 2-docosahexaenoylglycerophosphoethanolamine LPE 22:6 110424.3000 59832.8000 40328.1000 38896.2000 53897.3000 63960.7000 51715.6000 76424.2000 94080.7000 88451.7000 2-hydroxybutyrate (AHB) 2-Hydroxybutyric acid 1221774 587811 864309.6000 776912 884314.8000 486413 1334584 653710 582494 412460 620232.6000 2-hydroxystearate 2-Hydroxystearic acid 54221.4000 23383.3000 47779.6000 31159.8000 37874 30559.2000 29422.1000 36127.6000 27541.2000 22999.1000 2-linoleoylglycerophosphocholine LPC 18:2 82091 79017 77834.9000 75808.5000 58098 166188.6000 2-methylbutyroylcarnitine CAR 4:0;2Me 42781.5000 43509.4000 44851.1000 44923.1000 44470.9000 32496.5000 32021.9000 34120.7000 27274.7000 30721.6000 27055 2-oleoylglycerophosphoethanolamine LPE 18:1 19395.5000 22883.1000 25502.6000 16428.3000 35480 23342.9000 10420.5000 24387.8000 12575.5000 21820.4000 2-palmitoylglycerophosphocholine LPC 0:0/16:0 66543.4000 71119.3000 86904.9000 57920.6000 71962.1000 64181.7000 66696.7000 77757.3000 220902 45739.1000 53308.6000 2-palmitoylglycerophosphoethanolamine LPE 16:0 22193.3000 29866.3000 21249.5000 10884.3000 21900 25504 19815.5000 14075.1000 3-(4-hydroxyphenyl)lactate Hydroxyphenyllactic acid 41857.4000 18046.4000 34513.4000 18412.1000 19226.2000 12682.5000 21414.5000 16166.2000 12642.8000 19463 3-dehydrocarnitine* 3-Dehydrocarnitine 1059973.1000 2060524.9000 1578400.4000 1965792.1000 1702888.3000 1478697.1000 1347477.1000 1130075.5000 1826327.6000 789931.3000 657027.2000 3-hydroxybutyrate (BHBA) 3-Hydroxybutyric acid 11261307 8786215 7232204.5000 7108573.5000 7640417 5134007 3551737.8000 2902888.3000 4943594 4076259.3000 3556951.8000 3-indoxyl sulfate Indoxyl sulfate 171950.3000 54791.5000 88322.2000 85716 29482.3000 23352 92857 36191.4000 119667.6000 7312.9000 119972 3-methyl-2-oxobutyrate Ketoisovaleric acid 109969.8000 73398.3000 68407.8000 81731.9000 64729.4000 76579.3000 50027.3000 67968.4000 27604.2000 8758.1000 67505.7000 3-methyl-2-oxovalerate 3-Methyl-2-oxovaleric acid 217356.1000 169164.3000 199597 165011.8000 191409.5000 179698.1000 106778.6000 125471.1000 72125.5000 18489.2000 127991.5000 3-phenylpropionate (hydrocinnamate) Hydrocinnamic acid 97573.5000 143326.5000 48118.2000 184480.1000 121541.3000 62557.1000 70534 84423.2000 11313.5000 104442.2000 3-phosphoglycerate 3-Phosphoglyceric acid 3707169.5000 3216103.8000 3100091.8000 1955367.4000 2966848 1485837.9000 2307762.5000 2428092.8000 2415791.3000 3068201.8000 1818355.5000 4-methyl-2-oxopentanoate Ketoleucine 315586.5000 185532.8000 261578.9000 181890 234815.7000 221890 107391.2000 120221.3000 83389.8000 14611.9000 116926.6000 5-methylthioadenosine (MTA) 5'-Methylthioadenosine 166315 212743.8000 176517 169920.3000 158039.4000 114709.9000 75823.1000 93271 51244.7000 110842.9000 109426.1000 5-oxoproline Pyroglutamic acid 378932.1000 282414.8000 359737.6000 300741.6000 369709.9000 272331.4000 239670.2000 221420.1000 273086.5000 237237.6000 228571.6000 acetylcarnitine CAR 2:0 5161390.5000 5156765.5000 4488718.5000 5198171 4665529.5000 3862136.5000 3678903 3169939.3000 3483197.3000 2902050.8000 3625484.5000 acetylphosphate Acetylphosphate 1484740.9000 1596150.5000 1502049.5000 1217578.8000 1354285.8000 970684.8000 1705056.8000 1633469.6000 1346657.9000 1132109.1000 1316798.3000 adenosine 5^-diphosphate (ADP) ADP 162685.6000 167890 178610.8000 183292.5000 183898 198022.6000 183646.7000 228484.4000 174106.2000 62435.6000 122275 adenosine 5^diphosphoribose ADP-ribose 197547.5000 179950.9000 203495.6000 190668.3000 174767.1000 172626.9000 182984.5000 232279.7000 191562.2000 31408.8000 188476.4000 adenosine 5^-monophosphate (AMP) AMP 840974.6000 609880.7000 385967.5000 268146.3000 625781.7000 392885.3000 371805.9000 419716.6000 270424.1000 755534.8000 3622818.8000 adrenate (22:4n6) Adrenic acid 357730.6000 159900.2000 327011 342667.1000 315322.2000 159050.7000 253585.1000 158440.8000 120846.1000 20606.6000 71926.3000 alanine Alanine 89689184 76791104 98502584 61176452 92229256 41545496 63963100 48605116 49887828 70591808 53403200 alanylalanine Ala-Ala 133610.2000 154806.6000 138611 100448.7000 168752.3000 95136.3000 74719 107215.4000 89204.3000 161238 79084.7000 allantoin Allantoin 227041.6000 186126.2000 202915.6000 149211.3000 164181.9000 130194.2000 185187.3000 183800.8000 169546.8000 159042.3000 208896.5000 alpha-hydroxyisovalerate 2-Hydroxy-3-methylbutyric acid 1084922 970529.8000 870385.7000 809924.4000 1215292.9000 598221.1000 1353852.4000 1295075.5000 731245.8000 982791 1193510.6000 alpha-muricholate alpha-Muricholic acid 13012.3000 12144.5000 23395.8000 85478.9000 11292.3000 95781.6000 alpha-tocopherol alpha-Tocopherol 62146.4000 88873.4000 59133 34498 53057 19244 48769.3000 38522.7000 44592.6000 54691.9000 50280.3000 arachidonate (20:4n6) Arachidonic acid 1683761.3000 2310951 1521528.6000 1992703.5000 1605346.6000 1868934.6000 1865681.5000 2126741.8000 1415807.5000 382880.9000 1480613.1000 arginine Arginine 6994848 4860309 6256336.5000 3777994.8000 4930608 1830658.1000 3511254.8000 2116000.8000 2028265.8000 3017590.5000 1482273.5000 azelate (nonanedioate) Azelaic acid 7581.3000 6560.9000 8173.5000 7604.8000 10262.4000 7262 4623.8000 8008.9000 4548.5000 5573.8000 benzoate Benzoic acid 1072581 1325864 1046849.5000 944414.8000 1713600.3000 692067.1000 1450792 1504695.5000 1307381.1000 1614718.6000 1981109.3000 beta-alanine beta-Alanine 122770 255334.4000 207909.8000 156393.2000 148156.8000 110421.7000 196964.3000 101917.6000 131495.8000 90214 106594 beta-hydroxyisovalerate 3-Hydroxyisovaleric acid 106867.7000 40615.1000 107727.9000 72889.9000 56371.2000 52471.9000 115377.5000 170684.1000 127778.7000 29694.1000 155578.1000 betaine Betaine 1243479 1138107.4000 1287533.4000 1366224.9000 2014309.4000 1855253.5000 1371706.9000 1576985.5000 1294081.4000 1382536.6000 1384432.5000 butyrylcarnitine CAR 4:0 334749.9000 201970.5000 147175.5000 187728.1000 146432.7000 112213.5000 118212.5000 86546.1000 95128 87690.8000 88124.1000 butyrylglycine N-Butyrylglycine 392950 91399.6000 75997.2000 82162.3000 29361.7000 59179.8000 44990.2000 32650 59156.7000 57705.9000 48399.4000 campesterol Campesterol 426955 895829.6000 709364.3000 313499 893900.4000 568018.7000 852886 462896.1000 468853 531046.3000 523471 caprate (10:0) Capric acid 153157.5000 206051.6000 198116.5000 254427.1000 218418.9000 255793.7000 249846.9000 316582.2000 315345.7000 43985.8000 402234 caproate (6:0) Caproic acid 28534.4000 38155.5000 48827.2000 31056.4000 36489.7000 43152.9000 27191.5000 37652.1000 30480.7000 10494.4000 40052.2000 caprylate (8:0) Caprylic acid 60300.8000 63244.6000 74570.8000 69578.4000 81463.4000 57979 67069 95571.9000 90737.2000 16846 128233.2000 carnitine Carnitine 1023523.3000 1099840.3000 1086594.8000 1252697.1000 1189743.1000 1010043.9000 954320 1081387.4000 1142703.3000 962038.1000 970830.2000 C-glycosyltryptophan C-Glycosyltryptophan 26626 22269.9000 24517 17614.6000 18509 18986.9000 18707 19436.3000 17769.8000 chiro-inositol 1D-chiro-Inositol 509075.4000 364294.5000 456774.2000 231075.7000 228908 95469.1000 530778.1000 196804.3000 441180.3000 318599 203507 cholate Cholic acid 10184.5000 10247.4000 11889.3000 11778.6000 34174 154251.4000 16739.6000 53309 cholesterol Cholesterol 41266288 43215408 42176372 27656090 40407208 24111906 41953488 36335576 35260560 37821092 36602848 choline Choline 969200.5000 1066030.9000 1054137.1000 873670 910553.3000 1079635.5000 818042.3000 784306.8000 933857 842434 1394958.6000 cinnamoylglycine Cinnamoylglycine 39876.3000 53066.7000 52321.4000 82162.8000 45589.3000 45990.6000 33475.6000 38667.8000 6794.8000 53492 cis-aconitate cis-Aconitic acid 259872.1000 131061.2000 186705.1000 212877.2000 176670.3000 156814.9000 132921.9000 139736.9000 150451.8000 31147.7000 159364 citrate Citric acid 13172375 7698830 10527906 9022458 7145915.5000 3015196.5000 7898726 7342810.5000 9869551 7416989 8207166 citrulline Citrulline 320091.4000 362840 334864.8000 280191.1000 293091.8000 185147.6000 198768.2000 213098.4000 188712.5000 190533.6000 189986.8000 creatine Creatine 1523253 1101486.3000 1336434.5000 3165998.5000 1165708.8000 953857.9000 1208332.9000 1123761.5000 961744.5000 961882 936870.6000 creatinine Creatinine 57748.5000 38854.7000 51188 70469 30674 27660 41140.7000 25194.9000 34800.6000 22257.3000 cysteine Cysteine 3524834 2123021.3000 3693969.3000 1735793.1000 2358157.5000 1319760.9000 2550143.5000 2187132.5000 2310231 2349668.8000 1464137.4000 cysteine-glutathione disulfide S-Glutathionyl-cysteine 520118.7000 423897.7000 503564.1000 470521.6000 505576.5000 441811.9000 522869.9000 479614.7000 427103.1000 466142.8000 533101.2000 deoxycarnitine 3-Dehydroxycarnitine 295467.8000 273921.1000 259003 270309 310989.3000 226625.2000 212952.4000 225253.2000 261709.7000 218268.9000 263666.7000 dihomo-linoleate (20:2n6) 11Z,14Z-Eicosadienoic acid 223893.4000 630375.8000 464331.5000 636615.1000 322999 469240.5000 406294.5000 499027.1000 287456.7000 87667 300476.1000 dihomo-linolenate (20:3n3 or n6) Dihomo-gamma-linolenic acid 296680.3000 481748.8000 356495.6000 413253.8000 331622.6000 441645 364621.9000 459252.6000 365390.3000 72882.8000 330310.9000 dihydroxyacetone phosphate (DHAP) Dihydroxyacetone phosphate 251529 237706 282724 155750 342256.3000 461117.4000 273260 321233 368564.9000 67832 470529.5000 dimethylglycine Dimethylglycine 349245.6000 429209.3000 251596 415972.5000 676733 599119.4000 360573 297011 docosahexaenoate (DHA; 22:6n3) LPC 22:6 2634431.5000 3990683 3226266.3000 3799727.3000 3537821 4386795.5000 3834113.8000 5307977 3347198 814523.4000 3418268.3000 docosapentaenoate (n3 DPA; 22:5n3) DPA 489363.8000 920369.3000 644838.1000 752943.8000 426451.8000 790701.3000 655628.4000 961465.4000 508372.2000 118604.4000 486827.8000 EDTA Edetic acid 4015317.5000 4682878 5218165 5399174.5000 3936147 4853732.5000 4344723.5000 4963157 4713895 981270.1000 141028.4000 eicosapentaenoate (EPA; 20:5n3) Eicosapentaenoic acid 811956.5000 1709173.3000 887979.4000 1658517.4000 945899.5000 1475874.3000 1344214.6000 1341590.6000 716263.8000 309664.5000 1008667.3000 eicosenoate (20:1n9 or 11) cis-Gondoic acid 305281.4000 1589942.8000 976684.2000 1110396.9000 755201.6000 876906.9000 767042.5000 1356781.4000 443239.8000 213491.7000 693924.1000 ergothioneine Ergothioneine 1678633.1000 1552803.4000 1270755.9000 1571682.1000 1724366.6000 1335288 841755.4000 1529315.6000 860992.7000 1094931.8000 1314192.3000 erythritol Erythritol 270560.7000 184270.6000 212798 135351.6000 120807.5000 58573.5000 193997 111743.6000 162530.3000 131779.3000 147214 erythronate Erythronic acid 183550 130737 179006.8000 79699.8000 63558 50575.1000 96901.6000 64368.6000 102958 112450.5000 93010.4000 ethanolamine Ethanolamine 138095.4000 232132.2000 214461 152686.9000 131834 66152.3000 102738 77059 76451 120494 102969.1000 fructose Fructose 1373237.6000 1127065.9000 1373653 5052699 1210427.8000 668638 1249297.9000 1354788 1061733.9000 1444947.1000 1447156 fumarate Fumaric acid 534733.5000 418343.3000 402840.7000 327330.7000 393300.9000 213100.4000 275654.5000 200259.6000 207092.3000 236837.8000 220852.8000 gamma-glutamylisoleucine gamma-Glutamylisoleucine 104202.1000 73241.2000 83568.8000 74092.4000 74905 77542 85048.2000 64085.8000 76698.1000 71287.8000 50602.9000 gamma-glutamylleucine gamma-Glutamylleucine 381034.7000 231640.5000 304864.1000 293643.9000 307152.3000 278465.2000 337157.8000 209723.3000 288894.3000 219816.1000 162126.2000 gamma-glutamylphenylalanine gamma-Glutamylphenylalanine 178462.6000 87858.3000 134501.3000 122994.3000 133112 119488.7000 146671.5000 94428.5000 139755.1000 98266.4000 69788.8000 gamma-glutamylthreonine gamma-Glutamylthreonine 47088.1000 46372.3000 44934.1000 39185 34832.9000 45578.4000 46085.4000 35084.1000 40745.5000 38426.1000 gamma-glutamyltyrosine gamma-Glutamyltyrosine 88248.5000 32191.3000 60243 57823.9000 74456 52249.1000 77727.4000 45594.3000 59870.3000 39484 22893.9000 gamma-glutamylvaline gamma-Glutamylvaline 358726.5000 305261.8000 293628.1000 252674.3000 270626.4000 267340.1000 285675.6000 270723.9000 258568 251717.7000 212010.6000 glucose Glucose 203730960 161742016 216739408 149678864 164908704 96004104 249415216 263511520 280111808 254565920 240356352 glutamate Glutamic acid 1168468.4000 1339716.8000 1284100.1000 1402797.5000 1263741.9000 1068060.1000 1011754.9000 1053167.6000 1071003 967283.4000 853494.6000 glutamine Glutamine 891134.9000 470549.3000 623901.3000 617806 690325.6000 616655.1000 562675.3000 513931 443115.1000 785054.6000 772310.3000 glutathione_ oxidized (GSSG) Oxidized glutathione 15698076 17639562 14924093 14640881 15712568 15145696 13714539 14085378 13371180 14630496 14004675 glutathione_ reduced (GSH) Glutathione 70596.3000 88314.1000 87953.2000 40609.5000 119373.1000 26513.3000 43840.2000 25398.4000 131308.6000 44399.4000 33670.9000 glycerate Glyceric acid 277135.6000 211612.6000 249222.1000 295313.1000 246746.3000 148093.1000 176860.6000 227563.8000 190800.5000 184794.3000 174185.3000 glycerol 2-phosphate sn-Glycero-2-phosphate 207716.8000 246328 229914.4000 175277.3000 251150.2000 150421.9000 150544.9000 198061 202583.7000 209147.7000 170845.8000 glycerol 3-phosphate (G3P) sn-Glycero-3-phosphate 973823.8000 1055539.6000 1108873.8000 757556.8000 1086191.5000 566606.3000 902411.4000 773569.6000 1143753.4000 1167740.6000 798685.6000 glycerophosphorylcholine (GPC) sn-Glycero-3-phosphocholine 547264.7000 581717.7000 550026 487586.6000 587795.6000 502773.2000 442361.2000 479442 576129.3000 511584.3000 408986.8000 glycine Glycine 40500156 40342652 44303860 32634056 36390672 19835662 30292428 25792210 21859734 26950914 19361244 glycolate (hydroxyacetate) Glycolic acid 1200292.6000 1039944.5000 1295799.9000 783306.8000 1015951.3000 632543 1490230.1000 1059326.5000 1058137.4000 1343389.5000 1011485.7000 guanosine 5^- monophosphate (5^-GMP) GMP 113857.3000 117056.4000 163288.1000 83128.7000 143211.5000 131063.2000 73650.3000 94069.2000 95407.5000 125509.6000 328568.4000 heme Heme 1076304.9000 1308941.1000 1992254.5000 661562.8000 2365325.3000 554421 1334180.3000 615956.8000 4922913.5000 969575.2000 1166668.3000 heptanoate (7:0) Heptylic acid 16782.5000 17861.2000 15499 17753.7000 21287.5000 19659.7000 20993.9000 27794.2000 25865.4000 32152.6000 hexanoylcarnitine CAR 6:0 59204.8000 42203.6000 40691.3000 46227.5000 49500.7000 28618.1000 15487.2000 30534.6000 15875.7000 24803.1000 29188 hexanoylglycine Hexanoylglycine 55270.9000 42826.7000 32803.1000 27163.2000 28546.2000 18128.5000 55819 25658.3000 17481.9000 25544.8000 hippurate Hippuric acid 201906.9000 162853.5000 187332.9000 265784.5000 165194 8135.8000 165501.6000 126597.4000 198267.3000 30199.9000 188179.1000 histidine Histidine 52067.8000 52350.4000 59227.8000 41543.7000 54912.1000 43070.2000 41007.8000 49241.1000 37385.2000 19290.2000 51411 homocitrulline Homocitrulline 36415.1000 34082.5000 21553.9000 25103.2000 21153.9000 25960.7000 18712.6000 17319.1000 17516.8000 homocysteine Homocysteine 135550.8000 140206.2000 63990.5000 78228 68106.5000 66436 82388.3000 39744 96163.7000 63882.3000 homostachydrine (S)-Homostachydrine 572081.9000 769254.4000 750470.9000 633813.6000 694373.1000 664611 688316.6000 550877.9000 541215.1000 421152.6000 487189.4000 hydroxyisovaleroyl carnitine CAR 4:0;OH,Me 92951.5000 91745.5000 71098.6000 105087.2000 116503.1000 42160.6000 61610.7000 74544.1000 56890.1000 76735.5000 58356.1000 iminodiacetate (IDA) Iminodiacetate 7384151 7745466 8302067 5789381.5000 6273212 3062674.3000 5799202 5454535.5000 5434749 4541678 3023800.3000 inosine 5^-monophosphate (IMP) IMP 1196689.8000 1504959.8000 1300183 1073348.5000 1676379 1188892 831204.8000 948866.7000 890423.4000 1223564.5000 1335301.6000 Isobar: 2-propylpentanoic acid_ 2-ethylhexanoic acid Valproic acid 112145.1000 129230.5000 132803.9000 149373.4000 175224.7000 127322.8000 122028.9000 203135.1000 196085.4000 20439.2000 249286.3000 Isobar: fructose 1_6-diphosphate_ glucose 1_6-diphosphate DHA 118976.5000 100475.5000 105205.2000 84219.8000 140139.7000 103525.4000 99853.6000 111700.8000 98361.2000 59082.6000 540796.4000 isobutyrylcarnitine CAR 3:0;2Me 134266.7000 64937.6000 69573.2000 85050.3000 66127.3000 42718 54010.3000 44810.5000 42137.3000 40796.1000 43767.7000 isoleucine Isoleucine 9102038 8767046 10295614 11522102 12970134 9930681 9495639 10615750 6998513 9927223 8612486 isovalerylcarnitine CAR 4:0;3Me 68958 60536.1000 61666.1000 71583.7000 51517 52733.2000 46839.6000 42718.8000 39453 48149 35013.3000 isovalerylglycine Isovalerylglycine 155200.7000 86207.5000 81281.1000 91599.6000 78933.9000 70757.7000 70097.1000 56590.9000 53867.1000 65371 77488.6000 kynurenine Kynurenine 116448.2000 79121.7000 98994.2000 96413.1000 134229.4000 77776.8000 95967.4000 83619.4000 114014.9000 86347.6000 90847.1000 lactate Lactic acid 198930688 259994608 142204288 176233568 198715808 144855840 61173100 74572768 79848416 74370776 90716768 laurate (12:0) Lauric acid 534824.1000 507145.3000 517106.6000 929584.4000 602374 792738.4000 1020986.7000 1156120.1000 1155285.9000 187610.2000 1166757.6000 leucine Leucine 15252146 13876398 16784376 17501278 21389364 14470633 15768596 13763279 9329954 14727227 10188685 linoleate (18:2n6) Linoleic acid 9075822 20382358 18403560 21766558 14261754 17806552 15615920 15109690 11645449 4082006 12854386 linolenate [alpha or gamma; (18:3n3 or 6)] Octadecatrienoic acid 948199.4000 2551126.5000 1894397 2748184.3000 1441171.9000 1915763.4000 1604299.6000 1463265.6000 1105983 394328.9000 1306073 lysine Lysine 2869885.3000 3683491.5000 3300790.5000 2304258.5000 2464850 1589430.5000 2108822.3000 1121180.1000 1313138.8000 1334076.6000 1248020.9000 malate Malic acid 1635093.1000 1151349.1000 1075038 1030785.3000 1219702.1000 567380.8000 731447.6000 614820.1000 701690.6000 702798.3000 723322.4000 malonylcarnitine CAR DC3:0 42496.4000 31370.8000 52810.2000 35299.5000 37712.4000 38409.6000 43009.7000 39565.7000 49299 49590.8000 mannose Mannose 3179265.8000 2834863.3000 3642530.8000 2484784.5000 2629072.5000 1425037.5000 4401836 5901078 5696402.5000 3948548 4149349.5000 margarate (17:0) Margaric acid 574563.6000 950816.1000 849179.1000 964178.8000 792265 725617.4000 743143 912493.3000 557128.4000 240882.7000 569387.4000 methionine Methionine 6056430.5000 3967368.8000 5716055.5000 4558579.5000 6106117 3486615.5000 5176261.5000 2396496.5000 2483200.8000 3693101.3000 2463312.8000 methyl palmitate (15 or 2) 390276.5000 248684.2000 234283.7000 334295.3000 300732.6000 232063.1000 340415.8000 433188.8000 333847.8000 150363.2000 319957.3000 methylphosphate Methanolphosphate 637984.5000 843370.9000 642305 448996 577196 353992.9000 628258 421397.5000 539521 557231 436030.7000 myo-inositol Myo-inositol 8876361 6165021 8236869.5000 3905772.5000 4963485.5000 2366975.8000 7415143 5371376.5000 8212831 5983386.5000 6155796.5000 myristate (14:0) Myristic acid 2006062.9000 2744847.5000 2266891.5000 2605991.5000 2375114.3000 2638921.3000 2401431.3000 2485857.8000 2391962.3000 705842.9000 2487220.8000 myristoleate (14:1n5) Myristoleic acid 27554.8000 33530.7000 65392.8000 76717.1000 31278.2000 47749.4000 67049.9000 84725.3000 80152.9000 22450.6000 47180.3000 N-6-trimethyllysine N-6-Trimethyllysine 1553293.8000 1784068.5000 1550073.5000 1604961.1000 1686489.8000 1461288 1483293.8000 1488352.3000 1206437.1000 1357336.8000 1416371.8000 N-acetyl-beta-alanine N-Acetyl-beta-alanine 29551.9000 40513.3000 28356.8000 29354.8000 38913.3000 32841.4000 27818.5000 29179.7000 22330.2000 23446.7000 17019.9000 N-acetylglycine N-Acetylglycine 263832.9000 173666.6000 261579.2000 232250 136933 134683.5000 165376 140650 145226 262708.4000 132312 N-acetylleucine N-Acetylleucine 218883.5000 98081.4000 139270.2000 194563.2000 142304.6000 108212.7000 138321.8000 71717.4000 84139.9000 72933.3000 77986.5000 N-acetylmethionine N-Acetylmethionine 10924.6000 9172.6000 11596.6000 12485.2000 9644.5000 6853.5000 7730 5427.4000 4195.1000 5680.7000 N-acetylneuraminate N-Acetylneuraminic acid 351929.5000 324302.1000 338340 258586.2000 254065 376883.6000 205989 307747.2000 205275 300330 N-acetylornithine N-Acetylornithine 440787 308241.6000 302253.4000 286138.8000 329827.9000 253164.1000 281642.5000 274116 263692.7000 197827.4000 263266.7000 N-acetylphenylalanine N-Acetylphenylalanine 95120.1000 57421.3000 52805.9000 68197.4000 70046.3000 57507.1000 43870.9000 44817.4000 39636 44140.2000 47094 N-acetyltryptophan N-Acetyl-tryptophan 14277.2000 11899.7000 12401.9000 14667.8000 14472.2000 12415.9000 10259.2000 10508.4000 9674.7000 9247.8000 nicotinamide Niacinamide 7820276.5000 8059897 7479791 8008176.5000 7180998.5000 7016505.5000 5713386 7344809 7311850 8107284.5000 6908851.5000 nonadecanoate (19:0) Nonadecylic acid 69661.6000 175893 101753.9000 138763.3000 142656 106709.3000 100055.6000 155608.1000 71986.2000 15473.3000 95023.7000 octanoylcarnitine CAR 8:0 77988.7000 71240.5000 74658.5000 87950.4000 68361.8000 41648.2000 56009.7000 58622.9000 42082.4000 49661.3000 63448.5000 oleate (18:1n9) Oleic acid 10381441 26650962 21619338 23254384 16835926 21083918 16377375 17916264 13690778 5189022.5000 14533864 oleoylcarnitine CAR 18:1 35712.8000 18967.8000 23731.9000 16683.2000 38723.1000 15788.2000 15668.2000 130614.8000 30457.4000 56262.5000 ophthalmate Ophthalmic acid 339698.1000 317302.2000 240461.5000 284034.6000 271998.9000 315643.5000 380301.2000 353382.3000 263745.7000 355979.8000 298372.2000 ornithine Ornithine 2876084.5000 4492834 3826940 2496999.3000 2957174 2060788.8000 2681634.8000 1570664.9000 1914699.5000 1695406.6000 1478454.5000 orotate Orotic acid 72133.4000 86780.5000 59320.3000 46656.8000 74441.2000 31675 56261.2000 46222.4000 80752.4000 49425.9000 28895 palmitate (16:0) Palmitic acid 22535590 31001728 27726858 25039924 26105430 26021920 20562074 23285604 20266500 8109380 19660046 palmitoleate (16:1n7) Palmitoleic acid 2485367.3000 6052079.5000 4286330.5000 4691974 1552084.8000 5213559 2849468.5000 3525606.5000 3390784.8000 3760611.8000 palmitoyl sphingomyelin SM 18:1;O2/16:0 4999760 4504461 3593590.5000 2894239 4955870 1956710.9000 3505452.8000 3619097.8000 4043184.8000 4567613 3833817.8000 pantothenate Pantothenic acid 200805.8000 174688.9000 164210.5000 172645.2000 171686.2000 113314.6000 107333 110494.1000 90867.7000 105024.4000 101633.7000 pelargonate (9:0) Pelargonic acid 427294.2000 478440.6000 477311.8000 620142.9000 592525.4000 548066.3000 587642.8000 797522.4000 788914.8000 98370.8000 957154.3000 phenol sulfate Phenyl hydrogen sulfate 381077.9000 120000 186346.4000 251459.3000 83528.7000 47393.7000 119304 23531.1000 39282 16756.1000 32509.5000 phenylacetylglycine Phenylacetylglycine 57737.8000 10889.3000 17153.1000 13741.2000 13511.2000 4299.1000 15985.9000 12508.3000 8999.2000 33584.3000 phenylalanine Phenylalanine 12483770 11012468 11603604 10916231 15241537 9954776 9648126 9020356 8372419.5000 9090933 8619718 phosphate Phosphoric acid 209746112 195239216 197553392 129346008 195629712 120587480 211493936 184240560 193978016 199558992 179635088 phosphoenolpyruvate (PEP) Phosphoenolpyruvic acid 1307332.1000 1506538.5000 1529831.5000 1132519.1000 1573425.9000 573452.7000 1186091.4000 1037071.9000 1148714.8000 1278828.9000 912712.2000 phosphoethanolamine Phosphoethanolamine 509090.1000 469908.8000 459869.5000 276665.3000 412343.3000 230453 312825.4000 253225.1000 321650.7000 322603.7000 186883.6000 pinitol Pinitol 262134.3000 204861 258937.1000 190711.1000 146850.3000 65828 171792.4000 97368 214084 180850.6000 123613.9000 pipecolate Pipecolic acid 703941.5000 534536.1000 539359.2000 596414.5000 358890.5000 1008654.6000 401513.9000 371656.4000 258491.2000 348968.1000 1509345.9000 proline Proline 1827335.8000 1280542.4000 1639845.6000 1635320.4000 1941091.6000 1106941.1000 1509278.8000 1000034.6000 1141189.8000 1158620.8000 866260.9000 propionylcarnitine CAR 3:0 493799.3000 365360.3000 360763.9000 535608.3000 444291 358820.2000 512615.6000 391923 347865.8000 305317.7000 372162.2000 pseudouridine Pseudouridine 25905.2000 24642.9000 26281 22350.2000 18616.9000 15600.5000 19644.7000 19932.5000 17466.3000 17081.7000 pyrophosphate (PPi) Pyrophosphate 1152587.3000 1014622 1019729.9000 760694.1000 1220771.4000 455711.4000 1613375.1000 1200690.8000 1034491.4000 547962.5000 750007.6000 pyruvate Pyruvic acid 165925.9000 191601.9000 155828.5000 113186 216965.7000 570601.2000 72943 69016 45936 82533.5000 173394.9000 sarcosine (N-Methylglycine) Sarcosine 705279 756765.8000 520206 633402 508710.8000 796019.3000 560106 598467.6000 341717 466779 serine Serine 13223039 15153341 15943932 10859915 13692420 5570910 10986318 8701500 8020192.5000 10507238 6579448 serotonin (5HT) Serotonin 139247.7000 78506.4000 120044.5000 102768.9000 139631.9000 165452.2000 173687.7000 231352.6000 236649.8000 148305.7000 167101.7000 spermidine Spermidine 3011916 2460515.8000 2505190.3000 2827456.3000 2735224.3000 1765267.3000 1923918.3000 1934178.9000 1774982.8000 2021886.4000 1559471.3000 stachydrine Stachydrine 1978177.5000 1681150.4000 1928324.8000 1633694.1000 1529642 1398941.6000 1645539.1000 1026831.2000 1374712.6000 1222126.8000 1080103.4000 stearate (18:0) Stearic acid 11256349 14435632 12567256 12943878 13509104 10905525 9972078 12335314 8516525 3682225.5000 8958400 stearidonate (18:4n3) Stearidonic acid 22695.1000 175497.4000 154902.6000 195363.8000 76132.4000 171643 194222.9000 102927.4000 61142.3000 34279.6000 122173.4000 succinate Succinic acid 105369 76086.8000 80770.9000 80670.7000 77940.9000 52205 41945 63137.3000 52276.8000 9207.8000 53589.5000 succinylcarnitine CAR DC4:0 129338 136765.7000 124317.5000 125027.3000 156569.4000 130583.2000 99659.1000 107030.1000 90017.7000 112650.9000 122276.6000 taurine Taurine 314345 237393 255095 262252.9000 175507 132838 240487 204671 175294 162963 222186 tauro-beta-muricholate Tauro-beta-muricholic acid 10796.4000 418554.4000 478887.4000 13232.8000 25484.8000 12507.3000 18632.6000 7429380 40540.3000 taurocholate Taurocholic acid 19336.7000 838188.6000 1031457.1000 22801.7000 69886.8000 23693 31320.3000 12606384 13806.1000 5271.6000 37199.9000 taurodeoxycholate Taurodeoxycholic acid 6317.3000 25090.4000 39308.2000 6908.5000 18261.9000 7247.4000 767845.5000 4231.3000 tauroursodeoxycholate Tauroursodeoxycholic acid 8965.1000 11986.2000 287213.3000 threonate Threonic acid 776133 602257.1000 468322 358349 261766 169692 376234 345511 376360 390107 556479 threonine Threonine 263378.2000 232290.1000 285982.3000 350002.8000 345636.9000 211163.2000 177310.8000 149011 207840.5000 256364.7000 183265.7000 trans-4-hydroxyproline trans-4-Hydroxyproline 1766890 1836069.1000 1725347.3000 990978.2000 1034009.8000 597660.1000 819335.1000 715678.3000 667661.8000 1222410.3000 505151 trigonelline (N^-methylnicotinate) Trigonelline 291681.1000 234141.3000 254327.4000 210527.6000 194465.9000 131918.5000 208962 96450.1000 193009.5000 168349.3000 119711.1000 tryptophan Tryptophan 8028306 7668459 6319513.5000 8291292.5000 9222822 6770922 5300137 6869242 6763725 5275510.5000 4671636 tyrosine Tyrosine 4395578.5000 3451196 4483908 4593363.5000 7268892.5000 3879523.5000 4005716.5000 4107394.8000 2780746.8000 3581691 3227019.3000 uracil Uracil 245383.5000 110755.2000 98572 76599.9000 119211 31546.2000 46597.9000 51686.2000 55136.6000 59894.8000 73609.3000 urate Uric acid 378247.5000 204111 154508.3000 101037 194277 77197.8000 81846 128664.2000 97092 113885.4000 252018.8000 urea Urea 229500096 242456272 248286016 187513424 168533744 120644408 251154992 190159872 198585952 197343024 159815216 uridine Uridine 35328.5000 37963.5000 30244.8000 32867.8000 44718.1000 29967.2000 11055.8000 22266.9000 16976.8000 5271.7000 61000.9000 valine Valine 6067135.5000 4055559.8000 4999047 5479219.5000 5611145 4891956 5112770 4494205.5000 3460157.5000 4128892.5000 3868485.3000