Metabolite_name RefMet_name BLS001A BLS002A BLS003A BLS010A BLS001A_2 BLS002A_2 BLS003A_2 BLS010A_2 BLS001A_3 BLS002A_3 BLS003A_3 BLS010A_3 Factors - Milk fraction:fat Milk fraction:fat Milk fraction:fat Milk fraction:fat Milk fraction:skim Milk fraction:skim Milk fraction:skim Milk fraction:skim Milk fraction:whole Milk fraction:whole Milk fraction:whole Milk fraction:whole 2-hydroxyglutarate+Na 2-Hydroxyglutaric acid 92760 185733 34632 97079 183127 164651 207108 99307 178811 205255 151134 64360 2-Hydroxyphenylalanine 2-Hydroxy-L-Phenylalanine 9699308 12400000 2217610 12000000 32400000 36900000 16300000 13000000 34000000 41200000 11200000 12400000 3^-CMP 3'-CMP 182691 128305 122834 232149 406535 128870 1063641 79522 460762 375849 600989 189146 3-HYDROXYKYNURENINE Hydroxykynurenine 63835 8209 14302 49694 328912 103994 176031 71126 319038 124209 132286 66324 3-UREIDOPROPIONATE Ureidopropionic acid 52169 40263 41709 52190 86758 87067 134502 125199 141711 128036 85462 96210 4-AMINOBUTANOATE (GABA)_R1 gamma-Aminobutyric acid 3628852 1815608 878422 9249179 7252412 3615080 2944295 10700000 7790720 3642342 2414629 10000000 4-AMINOBUTANOATE (GABA)_R2 gamma-Aminobutyric acid 230997 178580 216813 603347 430624 459420 844071 576808 476094 462246 776208 586554 4-GUANIDINOBUTANOATE 4-Guanidinobutanoic acid 178678 170718 147582 256427 203922 270972 394635 300925 214175 248877 394328 263159 5_6-DIHYDROURACIL Dihydrouracil 451121 286720 233753 959816 749915 784976 1164685 1184807 893773 834315 788293 1165440 5-AMINOLEVULINIC ACID 5-Amino-levulinic acid 2170288 1469998 779333 2976296 3854778 3138782 2316106 3161132 3765178 3278077 2420530 2837059 5-HYDROXY-L-TRYPTOPHAN_R1 5-Hydroxy-tryptophan 21079 6838 6719 30544 39634 27057 28886 36073 39886 37911 34332 22649 5-HYDROXY-L-TRYPTOPHAN_R2 5-Hydroxy-tryptophan 18127 15563 4562 31037 42893 33541 36011 32080 46002 35477 30641 25351 5-Hydroxymethyl-2-furaldehyde 5-Hydroxymethyl-2-furancarboxaldehyde 146000000 104000000 120000000 256000000 248000000 246000000 323000000 283000000 274000000 246000000 271000000 234000000 5-OXO-L-PROLINE Pyroglutamic acid 4444568 7481194 3195761 17300000 10400000 14900000 20600000 14900000 10800000 17600000 16100000 15200000 Acyl-Carnitine(5-OH) CAR 5:0;OH 418470 247831 132628 409857 2082995 1985000 1344524 521933 1918878 2014247 1004557 613969 ADENINE_R1 Adenine 481073 84802 47534 191739 315901 383322 467985 362522 325012 391055 334394 632575 ADENINE_R2 Adenine 146563 251176 39548 2041734 165688 376686 153520 390452 164364 985587 44076 1084221 a-Ketoglutaric Acid 2-Oxoglutaric acid 314881 246465 166022 302201 525349 476214 538304 357620 668566 435935 535521 283873 ALANINE/SARCOSINE_R1 Alanine/Sarcosine 5116043 5887467 1590198 24000000 10800000 10900000 5325106 29500000 11100000 12300000 3241974 28500000 ALANINE/SARCOSINE_R2 Alanine/Sarcosine 1738541 958996 666371 2973247 3186787 2777500 3197584 3089365 3136873 2861835 2661224 2988000 ALDO/KETO-HEXOSE Hexose 88800000 46400000 48900000 61500000 60000000 46900000 46100000 55700000 57500000 50400000 47500000 55600000 Allopurinol Allopurinol 663023 1487089 301320 306962 312205 1363682 471233 544031 208663 1748076 452852 448869 ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE 8306337 4787966 4054222 11600000 15500000 14500000 8927218 13200000 12700000 14100000 10400000 16900000 Anthranilate 2-Aminobenzoic acid 83453 57931 56207 55163 60193 52808 125565 49379 75708 60917 94990 46332 ASPARTATE_R1 Aspartic acid 2687532 1242428 1330831 6190108 2899273 3920556 1410554 4858204 2845641 3794219 1329700 4757722 ASPARTATE_R2 Aspartic acid 519256 471728 226886 808652 661690 587993 1080298 743748 852941 972487 989960 BETAINE Betaine 393000000 44600000 51600000 49800000 271000000 56400000 112000000 51200000 240000000 54600000 107000000 52400000 BOC-D-Phenylalanine 50600000 48800000 49200000 45400000 44500000 44700000 50600000 48600000 49300000 42200000 45700000 42600000 BOC-L-Tyrosine_R1 Tyrosine 87500000 75500000 78900000 79200000 75100000 65700000 85900000 88800000 78300000 64600000 76100000 85100000 BOC-L-Tyrosine_R2 Tyrosine 2460146 2872046 2618206 3921029 4437595 3977567 4070881 4730622 3952429 4010156 2859984 4243473 Caffeine-D3 Caffeine 35400000 35500000 25200000 29000000 33500000 33500000 32200000 31700000 31500000 33500000 33200000 31600000 Chenodeoxycholic Acid (CDCA)_R1 Chenodeoxycholic acid Chenodeoxycholic Acid (CDCA)_R2 Chenodeoxycholic acid 4189 Chenodeoxycholyglycine (GCDCA)_R1 Glycochenodeoxycholic acid 16470 5054 19474 4255 12031 Chenodeoxycholyglycine (GCDCA)_R2 Glycochenodeoxycholic acid 10962 4885 8155 7125 Cholic Acid Cholic acid Choline Choline 206000000 335000000 257000000 386000000 382000000 522000000 807000000 362000000 388000000 558000000 688000000 360000000 CITRULLINE Citrulline 2490328 3019779 1148018 6809064 4181282 4300860 2138495 6671479 3521245 4868055 2236608 7871398 CMP_R1 CMP 3226289 2889330 628196 9101498 6007700 5778035 4378264 8816515 7190775 5860529 3363194 6805244 CMP_R2 CMP 639400 332233 57088 2338018 2966057 3191668 627451 3467631 2750602 3157604 456545 3949700 CREATINE Creatine 336000000 199000000 141000000 543000000 651000000 542000000 585000000 587000000 676000000 568000000 517000000 531000000 Creatine-D3_R1 Creatine 90400000 89900000 100000000 57700000 44400000 46200000 43200000 51700000 44000000 46300000 50600000 52500000 Creatine-D3_R2 Creatine 2627030 2267274 1712673 2851174 2485551 1386808 1133741 3081474 2363200 1585499 1007661 2872996 CREATININE Creatinine 187000000 131000000 122000000 405000000 320000000 402000000 405000000 457000000 339000000 388000000 344000000 445000000 Cyclic-ADP Ribose_R1 Cyclic ADP-ribose 112402 362561 20731 208284 170505 118761 242151 52840 171793 254664 123990 138467 Cyclic-ADP Ribose_R2 Cyclic ADP-ribose 44675 77773 3722 45118 61824 30332 75187 30045 82105 30015 27812 CYTIDINE Cytidine 10200000 3317812 3629521 6185664 29700000 13900000 26600000 6783494 29000000 12600000 20200000 6564453 CYTOSINE Cytosine 829650 702544 209586 2455044 1640360 1542023 1112408 2437184 2088782 1563293 907106 1826495 DEOXYCARNITINE 3-Dehydroxycarnitine 5015562 2127707 1649433 14100000 14500000 11100000 15100000 17500000 18000000 11400000 11100000 16000000 DL-5-HYDROXYLYSINE 5-Hydroxylysine Ergothioneine Ergothioneine 1047994 1038125 855578 908126 1007071 630320 1627642 308246 812833 1058594 1513703 589259 Formyl-5-hydroxykynurenamine Formyl-5-hydroxykynurenamine 139094 147867 114798 112342 107526 111980 114578 118641 115429 94388 122357 97041 GLUCOSAMINE/MANNOSAMINE 46400000 43800000 47900000 67800000 73500000 86700000 62400000 76800000 53200000 81400000 77700000 107000000 Glutathione Disulfide Oxidized glutathione 636959 205943 519135 2763487 1311563 1991041 717213 3445877 1329067 2448622 522906 2686518 Glycerophosphocholine sn-Glycero-3-phosphocholine 459000000 387000000 254000000 779000000 724000000 667000000 715000000 811000000 767000000 657000000 589000000 784000000 GLYCINE Glycine 1339070 5312932 809825 3477304 1211164 1145907 1308346 1958144 1560467 1329237 1301572 2371468 Glycocholic Acid (GCA)_R1 Glycocholic acid Glycocholic Acid (GCA)_R2 Glycocholic acid Glycocholic Acid (GCA)_R3 Glycocholic acid Glycocholic Acid (GCA)_R4 Glycocholic acid Glycocholic Acid (GCA)_R5 Glycocholic acid 13688 10838 3309 6285 13709 5955 4248 13934 Glycodeoxycholic acid (GDCA)_R1 Glycodeoxycholic acid Glycodeoxycholic acid (GDCA)_R2 Glycodeoxycholic acid 3858 Glycodeoxycholic acid (GDCA)_R3 Glycodeoxycholic acid Glycodeoxycholic acid (GDCA)_R4 Glycodeoxycholic acid 14541 5392 15852 4231 16456 Glycodeoxycholic acid (GDCA)_R5 Glycodeoxycholic acid 7925 6034 4379 Glycoursodeoxycholic acid (G-UDCA)_R1 Glycoursodeoxycholic acid 4242 Glycoursodeoxycholic acid (G-UDCA)_R2 Glycoursodeoxycholic acid Glycoursodeoxycholic acid (G-UDCA)_R3 Glycoursodeoxycholic acid GUANINE_R1 Guanine 563856 10600000 1986787 4903821 2314076 6252590 14300000 2650818 3291870 8698861 11100000 3877270 GUANINE_R2 Guanine 154264 528056 19542 532845 135269 173264 131534 143226 90353 416897 81407 299334 HEXOSE-DISACCHARIDE_R1 Hexose disaccharide 59200000 24800000 31700000 65600000 107000000 136000000 185000000 87700000 124000000 147000000 125000000 87700000 HEXOSE-DISACCHARIDE_R2 Hexose disaccharide 838990 1165346 2233891 1206517 960045 948997 1728728 1143118 905381 961213 1728471 1213520 Hippuric Acid Hippuric acid 13800000 5426594 1872701 13000000 54300000 39700000 18800000 15700000 57500000 42400000 13400000 14100000 HOMOCYSTEINE Homocysteine 37314 Hydroxyhippuric acid Hydroxyhippuric acid 551623 205488 86600 591656 1418525 962395 791552 618576 1526105 1030355 532033 438795 Isobutyrylcarnitine_R1 CAR 3:0;2Me 28200000 27200000 11200000 76200000 89800000 112000000 78900000 89400000 77900000 102000000 68300000 98200000 Isobutyrylcarnitine_R2 CAR 3:0;2Me 5109950 1166907 684575 973539 19800000 7022322 5745524 1230119 19100000 7258613 4337090 1313786 Isocytosine 2-Amino-4-hydroxypyrimidine 11900000 3554523 4125348 8074480 34800000 15700000 33000000 9260865 35600000 16000000 23300000 8576894 Isovalerylcarnitine_R1 CAR 4:0;3Me 2577738 781571 449664 638167 10500000 4456889 4047495 721638 10300000 4778074 2973132 923763 Isovalerylcarnitine_R2 CAR 4:0;3Me 1506596 452555 237200 345863 6110555 2462818 2181304 421109 5669254 2583549 1619138 472895 Isovalerylcarnitine_R3 CAR 4:0;3Me 113503 105507 37532 198401 430362 634787 275970 262466 419208 733058 206356 313704 Kynurenic Acid Kynurenic acid 414814 238801 805396 1418640 1525667 1713034 7259920 1817369 1669505 1792376 4921444 1569935 L-ANSERINE Anserine 146703 L-ARGININE Arginine 28200000 65400000 46900000 41800000 37300000 40100000 41500000 45700000 36300000 44100000 34400000 45900000 L-CARNITINE Carnitine 469000000 305000000 212000000 796000000 943000000 796000000 722000000 899000000 988000000 823000000 613000000 883000000 L-CYSTATHIONINE Cystathionine 18883 36495 15753 16205 28628 21324 31353 20392 30101 L-Cystine Cystine 1328710 9873424 637440 2957567 798709 934634 453654 896581 1008582 1067066 508239 1318802 Leu Pro_R1 Leu-Pro 141044 173392 52855 168224 222176 868548 329675 284725 194044 601974 211302 202192 Leu Pro_R2 Leu-Pro 118873 93974 33163 111329 206740 502909 246364 207719 192640 393729 165487 119200 L-GLUTAMINE Glutamine 4402614 19400000 521324 225000000 39100000 136000000 5816935 258000000 43600000 116000000 4416038 241000000 L-HISTIDINE Histidine 40600000 33000000 25800000 45700000 37500000 22100000 16700000 47700000 36400000 23900000 16200000 48300000 L-Isoleucine Isoleucine 11900000 13500000 3895915 46100000 40300000 26300000 37300000 51800000 39800000 31400000 25200000 46300000 L-KYNURENINE Kynurenine 416708 1702940 508523 1224634 1371350 1933538 5122600 1332005 1311124 2258588 3269713 1297788 LL-2_6-DIAMINOHEPTANEDIOATE 2,6-Diaminopimelic acid 92295 50048 119909 368677 710275 83727 116251 114387 715811 104264 276669 L-(+)-Lactic Acid Lactic acid 20400000 15700000 19000000 19200000 18000000 17800000 22000000 19500000 19200000 18400000 20800000 17300000 L-Leucine 13C6_R1 Leucine 37800000 35500000 33600000 35900000 35000000 31100000 37900000 34900000 35500000 33900000 35500000 30600000 L-Leucine 13C6_R2 Leucine 9792 35694 8953 L-Leucine-D10_R1 32100000 28100000 27500000 31400000 28700000 26100000 31200000 30300000 30700000 26000000 28500000 26300000 L-Leucine-D10_R2 12547 7553 11396 52630 48848 8280 L-LEUCINE_R1 Leucine 35800000 32100000 8002381 113000000 123000000 68700000 76000000 137000000 125000000 81500000 50300000 113000000 L-LEUCINE_R2 Leucine 175868 148120 77451 343849 348255 208095 310287 584499 437689 283033 217393 412883 L-LYSINE_R1 Lysine 3599752 5463348 1941203 3446189 4296163 3950814 3615061 2743480 4292248 4319961 3641321 2919714 L-LYSINE_R2 Lysine 770779 947091 469358 764435 1313303 1291363 1382183 643295 1481296 1496615 1317532 787444 L-METHIONINE Methionine 4999564 7917883 1039355 17900000 24100000 21000000 13200000 19200000 24900000 25000000 10100000 18900000 L-Phenylalanine 13C6 Phenylalanine 29500000 28800000 28100000 31700000 29200000 26500000 30900000 30400000 31000000 28700000 28300000 28300000 L-PROLINE Proline 26800000 44800000 15900000 60400000 61200000 57800000 67200000 61000000 61300000 59600000 57500000 59100000 L-SERINE Serine 3268104 3986366 1667075 6349969 2954134 2292656 1565869 6360522 3503794 2521408 1582796 5776166 L-Tyrosine 13C6 Tyrosine 5212962 4907046 4732551 5451212 4856992 4548389 5206194 5349401 5150985 4708424 4985645 4948494 LysoPC (16:0) LPC 16:0 3538 4099 2950 5936 LysoPC (16:1) LPC 16:1 LysoPC (18:2) LPC 18:2 22060 162810 236155 191938 54810 15948 13857 15680 4260 138013 49372 104729 LysoPC (20:4) LPC 20:4 LysoPE (18:0) LPE 18:0 36874 39852 556988 97115 218305 69668 145538 24958 32544 162421 141374 46303 LysoPE (18:1)_R1 LPE 18:1 14356 120015 345036 347277 47097 15831 24896 16034 166261 73403 173151 LysoPE (18:1)_R2 LPE 18:1 64606 201852 100285 20916 11714 16913 4152 79687 39099 46124 LysoPE (22:6) LPE 22:6 54306 59051 175321 26848 17531 13374 16221 5059 92639 24449 114659 METHYL BETA-D-GALACTOSIDE Methyl beta-D-galactoside 507600 N1-Methyl-2-pyridone-5-carboxamide_R1 N1-Methyl-2-pyridone-5-carboxamide 279174 300326 215203 2459014 996976 2574810 1645932 3221002 841893 2551774 1664545 3975407 N1-Methyl-2-pyridone-5-carboxamide_R2 N1-Methyl-2-pyridone-5-carboxamide 275220 271959 187755 2231716 285238 732714 868400 2889526 322457 701785 1026250 3657396 N1-Methyl-4-pyridone-5-carboxamide N1-Methyl-4-pyridone-3-carboxamide 2020143 2271880 1875992 12100000 5053066 12200000 13600000 15000000 4614470 12000000 11000000 16700000 N-Acetyl-Arginine N-Acetylarginine 101128 64945 50352 382624 366408 342438 361820 413810 395825 339614 295239 347574 N-ACETYL-L-ASPARTIC ACID N-Acetylaspartic acid 72907 57222 51990 117936 156328 201867 196431 138100 154077 193398 203185 109981 N-ALPHA-ACETYL-L-LYSINE N(2)-Acetyllysine 2117307 1167364 282754 6447238 7065714 5512439 3093961 7834932 7586128 5714509 2566152 7608493 N-BOC-L-Aspartic Acid_R1 Aspartic acid 14400000 12900000 13300000 13300000 11900000 11000000 13500000 13100000 13100000 10900000 12800000 11000000 N-BOC-L-Aspartic Acid_R2 Aspartic acid 788122 746734 730797 976009 1400345 1116754 1242486 1133355 1378940 1211479 1021465 1358203 N-BOC-L-tert-Leucine 14400000 12400000 12200000 11100000 12700000 11900000 15400000 13200000 14000000 11700000 13400000 10800000 N-BOC-L-Tryptophan_R1 Tryptophan 32300000 30700000 33600000 26200000 28500000 28300000 27200000 30400000 28400000 27400000 28000000 27200000 N-BOC-L-Tryptophan_R2 Tryptophan 3352987 3628435 4022371 2690597 3199390 3352617 2813012 3398476 3072706 3062418 2980718 3506778 NICOTINAMIDE MONONUCLEOTIDE Nicotinamide ribotide 27900000 7241241 4156387 45500000 94300000 23000000 37500000 50200000 87100000 24400000 25800000 53000000 NICOTINAMIDE-N-OXIDE Nicotinamide N-oxide 82940 53673 45842 215278 239795 229336 156192 234554 227389 251794 135778 223341 NICOTINAMIDE_R1 Niacinamide 6897200 3432638 4369835 5265036 18100000 9405989 33300000 3234839 18300000 11600000 19100000 5177225 NICOTINAMIDE_R2 Niacinamide 4768670 252797 1344442 13500000 16100000 19900000 9627780 22100000 15100000 15700000 4733593 23400000 N-METHYL-D-ASPARTIC ACID N-Methyl-D-aspartic acid 96900000 200000000 26700000 210000000 154000000 174000000 79300000 200000000 163000000 187000000 69700000 194000000 N(PAI)-METHYL-L-HISTIDINE 3-Methylhistidine 11400000 2919163 28800000 14000000 11600000 2193798 16700000 16100000 12300000 2207430 16100000 15800000 Octanoylcarnitine CAR 8:0 147842 133320 85181 436812 378366 746514 757803 516018 343205 912257 493231 551341 ORNITHINE Ornithine 745025 1222873 480688 1630020 748904 1155839 525640 1415197 695877 1160361 672951 1430690 Orthophosphate Phosphoric acid 4167405 7025341 2343998 2947857 1971366 1418138 1839870 2501652 2145401 1666769 1914384 2110987 Pantothenic Acid Pantothenic acid 35000000 10800000 11800000 235000000 138000000 71900000 112000000 290000000 140000000 76600000 91900000 288000000 Phenylalanine Phenylalanine 26100000 21300000 6814622 138000000 89500000 71100000 55600000 163000000 96200000 82300000 37000000 146000000 PHOSPHOCHOLINE Choline phosphate 717000000 527000000 432000000 1410000000 1260000000 851000000 1120000000 1510000000 1320000000 827000000 1000000000 1470000000 PIPECOLATE/L-PIPECOLIC ACID_R1 Pipecolic acid 12300000 4507402 1094428 4798671 35800000 14400000 8805356 6122005 36200000 14200000 6556988 5470439 PIPECOLATE/L-PIPECOLIC ACID_R2 Pipecolic acid 2892874 1549322 886319 4287032 9466059 6001797 8545745 5042040 9674856 5849706 6659124 4648172 Proprionylcarnitine CAR DC3:0 29200000 20900000 11200000 55500000 94700000 63300000 67600000 65900000 84600000 67500000 57600000 74200000 PYRIDINE-2_3-DICARBOXYLATE Quinolinic acid 144019 122829 107790 280381 258512 161149 572232 297546 330528 199770 441740 185350 PYRIDOXAL Pyridoxal 7300920 4685234 2424046 15500000 17500000 14700000 18500000 19600000 17000000 16300000 13900000 20200000 QUINATE_R1 Quinic acid 929687 87845 70607 391505 770310 625470 538552 537490 578433 528205 515658 655044 QUINATE_R2 Quinic acid 254205 186040 162031 704632 793972 904220 845865 909738 764400 809613 745571 944300 SPERMIDINE Spermidine 5600973 48800000 2057960 49000000 35500000 18900000 30700000 8190723 24200000 58000000 28200000 29000000 SPERMINE Spermine 730688 4301491 608416 8365555 9041641 4451617 8474068 1156766 6681306 13900000 6076797 5068831 Stachydrine Stachydrine 4068280 495174 19700000 1038024 10800000 2073422 120000000 1269079 11300000 1993478 97100000 1146143 TAURINE Taurine 12000000 23300000 21800000 13000000 5126436 9162842 10200000 9029570 5309960 8033420 19000000 9315264 THREONINE/HOMOSERINE Threonine/Homoserine 4327685 8839897 1613134 12400000 8212048 17100000 5934111 14200000 8167540 17100000 5165789 12200000 Trigonelline Trigonelline 9998955 6416987 7352245 12200000 15900000 16400000 19400000 12200000 16700000 17200000 17100000 12100000 Tryptophan Tryptophan 9068285 4503465 1657820 18900000 33400000 21300000 7594509 21900000 32500000 24800000 5355608 21000000 Tryptophan-2_3_3-D3 Tryptophan 106000000 104000000 106000000 109000000 107000000 95100000 108000000 107000000 105000000 104000000 101000000 100000000 Tryptophan-2_3_3-D3-NH3 Tryptophan 43400000 42700000 44000000 44900000 43600000 38500000 44700000 43900000 42900000 42500000 41000000 40900000 Tryptophan-NH3 Tryptophan 3928661 1973751 738823 8267473 14500000 9251853 3223889 9672573 14400000 10800000 2387437 9002842 URATE Uric acid 32300000 32200000 18800000 92800000 70700000 61000000 154000000 102000000 76500000 67700000 110000000 84200000 URIDINE Uridine 1121536 1656640 119217 2280159 3767735 4492772 1822410 2401690 3337448 5158994 1401903 3852157 UROCANATE Urocanic acid 2081888 2034716 3014694 9862767 4515400 15500000 22700000 11500000 4040801 15000000 16500000 13100000 Ursodeoxycholic Acid (UDCA)_R1 Ursodeoxycholic acid Ursodeoxycholic Acid (UDCA)_R2 Ursodeoxycholic acid Xanthurenic Acid Xanthurenic acid 184931 23204 99129 70983 727879 153689 837875 88659 712893 170660 590580 72100