#METABOLOMICS WORKBENCH prin0088_20210713_120812_mwtab.txt DATATRACK_ID:2745 STUDY_ID:ST001869 ANALYSIS_ID:AN003031 PROJECT_ID:PR001180 VERSION 1 CREATED_ON July 19, 2021, 4:23 pm #PROJECT PR:PROJECT_TITLE Effects of WNK463 on Right Ventricular Metabolomics in Monocrotaline Rats PR:PROJECT_SUMMARY We investigated the effects of WNK463 treatment on right ventricular metabolism PR:PROJECT_SUMMARY in monocrotaline-induced pulmonary artery hypertension. PR:INSTITUTE University of Minnesota PR:LAST_NAME Prins PR:FIRST_NAME Kurt PR:ADDRESS 2231 6th St. SE, 4-145 PR:EMAIL prin0088@umn.edu PR:PHONE 6126257687 #STUDY ST:STUDY_TITLE WNK463 Inhibition on Right Ventricular metabolomics ST:STUDY_SUMMARY We investigated the effects of WNK463 treatment on right ventricular metabolism ST:STUDY_SUMMARY in monocrotaline-induced pulmonary artery hypertension. ST:INSTITUTE University of Minnesota ST:LAST_NAME Prins ST:FIRST_NAME Kurt ST:ADDRESS 2231 6th St. SE, 4-145 ST:EMAIL prin0088@umn.edu ST:PHONE 6126257687 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER Charles River #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - Control11 Treatment:Control SUBJECT_SAMPLE_FACTORS - Control 12 Treatment:Control SUBJECT_SAMPLE_FACTORS - Control 13 Treatment:Control SUBJECT_SAMPLE_FACTORS - Control 14 Treatment:Control SUBJECT_SAMPLE_FACTORS - Control 15 Treatment:Control SUBJECT_SAMPLE_FACTORS - Control 16 Treatment:Control SUBJECT_SAMPLE_FACTORS - Control 17 Treatment:Control SUBJECT_SAMPLE_FACTORS - Control 18 Treatment:Control SUBJECT_SAMPLE_FACTORS - Control 19 Treatment:Control SUBJECT_SAMPLE_FACTORS - Control 20 Treatment:Control SUBJECT_SAMPLE_FACTORS - Vehicle 1 Treatment:Vehicle SUBJECT_SAMPLE_FACTORS - Vehicle 2 Treatment:Vehicle SUBJECT_SAMPLE_FACTORS - Vehicle 3 Treatment:Vehicle SUBJECT_SAMPLE_FACTORS - Vehicle 4 Treatment:Vehicle SUBJECT_SAMPLE_FACTORS - Vehicle 5 Treatment:Vehicle SUBJECT_SAMPLE_FACTORS - Vehicle 6 Treatment:Vehicle SUBJECT_SAMPLE_FACTORS - Vehicle 7 Treatment:Vehicle SUBJECT_SAMPLE_FACTORS - Vehicle 8 Treatment:Vehicle SUBJECT_SAMPLE_FACTORS - Vehicle 9 Treatment:Vehicle SUBJECT_SAMPLE_FACTORS - Vehicle 10 Treatment:Vehicle SUBJECT_SAMPLE_FACTORS - Vehicle 11 Treatment:Vehicle SUBJECT_SAMPLE_FACTORS - Vehicle 12 Treatment:Vehicle SUBJECT_SAMPLE_FACTORS - Vehicle 13 Treatment:Vehicle SUBJECT_SAMPLE_FACTORS - Drug 2 Treatment:WNK463 SUBJECT_SAMPLE_FACTORS - Drug 3 Treatment:WNK463 SUBJECT_SAMPLE_FACTORS - Drug 5 Treatment:WNK463 SUBJECT_SAMPLE_FACTORS - Drug 6 Treatment:WNK463 SUBJECT_SAMPLE_FACTORS - Drug 7 Treatment:WNK463 SUBJECT_SAMPLE_FACTORS - Drug 8 Treatment:WNK463 SUBJECT_SAMPLE_FACTORS - Drug 9 Treatment:WNK463 SUBJECT_SAMPLE_FACTORS - Drug 10 Treatment:WNK463 SUBJECT_SAMPLE_FACTORS - Drug 11 Treatment:WNK463 SUBJECT_SAMPLE_FACTORS - Drug 12 Treatment:WNK463 #COLLECTION CO:COLLECTION_SUMMARY Right ventricular free walls were collected and snap frozen immediately after CO:COLLECTION_SUMMARY death. CO:SAMPLE_TYPE Heart #TREATMENT TR:TREATMENT_SUMMARY PBS, WNK-vehicle, or WNK463 at a dose of 3 mg/kg #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were frozen and sent to Metabolon #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Low pH polar CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE Other MS:ION_MODE POSITIVE MS:MS_COMMENTS Proprietary analytical software for integration and peak picking #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS relative value MS_METABOLITE_DATA_START Samples Control11 Control 12 Control 13 Control 14 Control 15 Control 16 Control 17 Control 18 Control 19 Control 20 Vehicle 1 Vehicle 2 Vehicle 3 Vehicle 4 Vehicle 5 Vehicle 6 Vehicle 7 Vehicle 8 Vehicle 9 Vehicle 10 Vehicle 11 Vehicle 12 Vehicle 13 Drug 2 Drug 3 Drug 5 Drug 6 Drug 7 Drug 8 Drug 9 Drug 10 Drug 11 Drug 12 Factors Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Vehicle Treatment:Vehicle Treatment:Vehicle Treatment:Vehicle Treatment:Vehicle Treatment:Vehicle Treatment:Vehicle Treatment:Vehicle Treatment:Vehicle Treatment:Vehicle Treatment:Vehicle Treatment:Vehicle Treatment:Vehicle Treatment:WNK463 Treatment:WNK463 Treatment:WNK463 Treatment:WNK463 Treatment:WNK463 Treatment:WNK463 Treatment:WNK463 Treatment:WNK463 Treatment:WNK463 Treatment:WNK463 (16 or 17)-methylstearate (a19:0 or i19:0) 0.9456 0.5979 0.5359 0.5220 1.3500 0.8712 0.8961 1.7460 1.1923 0.6913 1.2126 1.2788 1.0508 0.9811 0.7753 0.6535 2.0606 0.7483 1.0000 1.0304 1.2940 0.9435 0.9422 1.4138 1.0405 1.1244 1.6150 0.8277 0.7938 0.6836 1.3595 2.0965 1.7953 (N(1) + N(8))-acetylspermidine 0.5037 0.6663 0.3962 0.3495 0.5460 0.4422 0.6217 0.4696 0.6192 0.3921 0.7598 3.1461 1.0000 1.5890 1.7320 1.9707 1.3740 1.3966 1.4142 1.2629 0.9158 1.2815 1.5864 1.1129 1.0170 0.9555 1.2120 1.6254 1.0109 0.8748 0.6512 0.9375 1.0530 (R)-3-hydroxybutyrylcarnitine 0.3712 1.2510 1.7686 0.5013 0.5459 1.4513 0.7496 0.4469 0.5102 0.7442 1.4566 1.4802 7.2251 0.8939 0.9288 1.0225 0.7978 2.2061 0.9991 1.3609 1.0000 0.2694 0.5722 5.8770 4.6565 3.0885 2.3363 1.4202 1.8059 0.5331 1.1007 0.5681 0.6825 (S)-3-hydroxybutyrylcarnitine 0.4237 1.1743 1.5276 0.6199 0.9095 1.4215 1.0527 0.4596 0.5617 0.5959 1.3404 0.4068 2.0222 0.5696 0.3402 0.6875 0.2133 1.2740 1.5864 1.3519 1.4471 0.3586 0.9323 2.5025 1.3466 2.1315 1.0000 1.0119 2.1814 0.5186 1.1833 0.7559 0.6861 1,2-dilinoleoyl-GPC (18:2/18:2) 4.1958 2.3790 3.5483 2.1898 3.2670 2.8506 1.6126 1.9689 1.6312 3.5528 1.9611 0.5784 1.3597 0.6610 0.8915 0.7312 0.5218 0.5667 1.0000 1.4681 0.7318 0.6016 0.6543 1.9124 1.5681 1.0845 0.8677 0.4533 0.5597 0.6308 0.6890 0.7327 0.8321 1,2-dilinoleoyl-GPE (18:2/18:2)* 7.9044 3.3685 6.7097 3.5630 4.7756 4.4573 2.1984 2.9913 2.3067 4.9220 2.5206 0.6755 1.3267 0.5689 0.9765 0.6977 0.4037 0.5952 0.9891 2.3370 0.9996 0.6616 0.5811 2.5445 2.4908 1.2988 1.0000 0.3669 0.6924 0.8049 0.9320 0.9484 0.8180 1,2-dipalmitoyl-GPC (16:0/16:0) 0.9454 0.9345 0.8255 1.0017 1.0355 0.9851 1.0558 0.8826 0.9897 0.8872 0.8756 1.2135 0.9037 1.0048 1.3263 1.0828 1.1666 1.1443 1.1501 1.0829 1.0000 1.3439 1.0659 0.9099 0.9222 1.0609 1.0730 1.1444 0.8740 0.9524 0.8805 0.8517 0.9525 1,2-dipalmitoyl-GPE (16:0/16:0)* 1.0428 1.0211 1.0702 1.0329 0.8334 1.1983 1.1090 0.7889 1.3492 0.8856 1.1024 0.8567 0.8420 0.8399 0.9830 0.9320 1.0000 1.2483 1.1103 1.0049 0.7605 1.0460 0.7415 0.7342 1.1782 0.8610 1.1954 1.1767 0.9891 0.9129 0.8549 0.7989 1.1551 1,2-dipalmitoyl-GPG (16:0/16:0) 0.3461 0.9935 0.8428 0.8438 1.0170 0.7812 1.1696 0.3461 1.3702 1.2117 1.4089 0.7807 1.0414 1.1734 0.5024 0.4765 1.1309 1.8822 0.8138 1.4161 0.6692 0.3461 0.7394 0.3461 0.8349 1.2940 0.6418 2.1929 0.8049 1.0860 0.9668 1.0065 1.2540 1,2-distearoyl-GPC (18:0/18:0) 0.8327 1.2932 0.5590 1.1338 1.3785 1.1407 1.0359 1.0329 0.9960 0.9204 0.8798 0.6852 0.5840 0.6558 1.0552 1.0142 0.8175 1.0137 1.0000 0.8299 0.8568 1.3971 0.9558 0.7767 1.1453 1.1727 1.1920 1.2215 0.8899 0.7564 1.2046 0.9901 1.4777 1,5-anhydroglucitol (1,5-AG) 0.7155 1.0964 1.0186 1.1516 0.7915 1.1064 0.7073 0.7888 0.8193 0.9557 0.8896 1.0295 0.8343 1.2944 0.9565 1.1046 1.1034 1.0224 1.0000 1.2116 0.7251 1.0522 1.2524 1.0957 0.8583 1.2676 1.1683 1.2477 0.8876 0.9589 0.9203 0.9073 0.9110 1-(1-enyl-oleoyl)-GPE (P-18:1)* 1.3261 2.0654 1.9696 0.9257 1.3889 0.8919 0.7403 0.9654 0.9757 1.2042 1.1931 1.2904 0.7016 1.0612 1.0680 0.9150 0.8819 0.8307 1.2771 0.8089 0.8886 0.8886 0.8435 0.8470 0.7045 1.0000 1.0074 1.1565 1.1059 1.0819 0.9608 1.0700 1.7514 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* 0.5870 1.1089 0.5312 0.9775 0.9764 0.8433 1.0834 0.9119 1.0308 1.0170 0.9826 1.0027 1.2778 0.7687 0.8120 0.7579 0.8502 0.9042 1.1670 0.5078 0.7658 0.7225 0.8081 1.2337 1.1557 1.0853 1.0000 1.1690 1.0236 1.2675 1.1161 1.0638 1.0140 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 1.0620 1.0699 1.0679 0.9390 1.1204 1.1189 0.7855 0.8446 1.1225 1.1902 1.0604 1.2904 0.8187 0.8353 1.4878 1.0261 1.0555 0.8256 0.8734 0.7954 0.8749 1.0950 0.7597 1.0185 0.9545 1.0602 0.7086 1.0334 0.8150 1.0000 0.9167 0.6924 0.8398 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 2.8627 2.2298 2.6464 1.4273 1.9746 1.7766 1.3652 1.0000 1.3292 3.1146 1.8238 0.8952 1.4980 0.5185 1.9848 1.0969 0.4058 0.5761 0.8861 1.1243 0.5630 0.5486 0.4667 2.1682 1.7882 0.9286 0.8981 0.3238 0.4838 0.5537 0.6109 0.6349 0.6704 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 1.2957 1.4618 1.6169 1.2523 1.2257 1.3874 1.0909 1.0023 1.6268 1.1672 1.2926 0.7830 1.2192 0.6278 0.9358 0.8559 0.6603 0.6890 0.8515 0.9397 0.8548 0.9793 0.5509 1.1835 1.2945 1.0309 0.8321 0.7508 0.8278 0.9511 1.0018 0.8658 1.0000 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 1.1825 1.1841 1.1619 0.9221 0.9085 1.0585 0.8831 0.6809 0.9294 0.9671 1.2277 1.4315 0.9721 0.9129 1.3336 1.3223 1.0543 0.9518 0.9825 1.1494 1.0549 1.4368 0.7223 1.0463 0.9332 1.1414 1.0771 1.0000 0.8595 0.9970 0.9260 0.6801 1.3554 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 1.1428 1.2411 1.1704 1.0000 0.9498 1.1040 1.1658 0.8439 1.2116 1.1051 1.0715 0.8177 1.4420 0.6946 0.9752 0.7812 0.8317 0.7738 1.0332 0.8330 0.7085 1.0251 0.6015 1.2149 1.1091 1.0702 1.1293 0.7892 0.7686 0.8079 0.9978 0.7824 1.1599 1-(1-enyl-palmitoyl)-GPC (P-16:0)* 0.9773 1.4026 1.3521 0.8164 1.0886 0.7434 0.7223 0.8130 0.8548 1.5293 1.1369 1.4018 0.5551 1.1485 1.1890 0.9637 1.0705 0.9246 1.4939 0.5699 0.7908 0.8231 0.9755 0.7977 0.7098 1.1454 1.0974 1.2923 1.0000 1.0542 0.9036 1.0383 1.5012 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 1.2908 2.0844 1.9872 0.7831 1.2903 0.8874 0.6386 0.8625 0.9717 1.2216 1.2125 1.5213 0.5846 1.1507 1.3024 0.9769 0.9638 0.9438 1.2964 0.7859 0.9621 1.0533 0.8077 0.7860 0.7436 1.0579 1.0000 1.0663 1.0424 1.1227 0.9258 0.9651 1.5343 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 0.7484 0.9736 0.6795 0.9857 1.0844 1.0271 0.9619 0.9613 1.1508 1.0415 1.0803 0.9770 1.0495 0.8539 1.1485 0.8401 1.0184 0.8487 1.0009 0.7598 0.8474 1.0000 0.8101 1.0762 1.0634 1.0328 0.8335 1.1398 1.0992 1.1920 0.9942 1.0142 0.9164 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* 1.1835 1.3848 1.2022 1.2693 1.1340 1.0108 1.0190 0.9667 1.3574 1.1611 1.3948 0.8480 1.2552 0.7847 1.0354 0.8445 0.7258 0.7003 0.9109 1.0000 0.7729 0.9597 0.6240 1.2283 1.2715 1.0592 0.8736 0.8325 0.8420 0.8838 0.9114 0.9221 1.1240 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 0.8558 0.9110 1.0448 0.7885 0.7926 0.6624 0.6624 0.6624 0.7296 0.6624 1.2007 1.5625 0.8889 0.8848 1.6510 1.3816 1.0938 0.7388 1.2401 1.2635 1.2296 1.9591 0.7248 0.9928 1.0000 1.1277 1.1193 0.6624 0.9862 0.9278 0.6624 0.6624 1.3930 1-(1-enyl-stearoyl)-GPE (P-18:0)* 0.9594 1.4757 1.1852 0.7878 1.1422 0.7377 0.7006 0.9824 0.8947 1.0822 1.0859 1.1100 0.6777 1.0949 1.0189 0.8497 0.8616 0.7946 1.2027 0.7576 0.9324 1.0000 0.8005 0.8472 0.7494 1.0422 1.0462 1.0636 1.1088 1.1135 0.9216 1.1156 1.3060 1-arachidonoyl-GPA (20:4) 0.4993 0.8319 0.1783 0.8805 1.2350 1.0628 0.1783 1.4641 1.5570 0.8208 0.8718 0.1783 1.4983 0.6465 0.9798 1.5990 1.6662 1.0432 0.1783 1.6270 0.9848 0.7971 1.0102 1.5697 0.9241 0.9898 1.3109 0.8518 0.9112 0.6154 1.6353 3.0887 1.1387 1-arachidonoyl-GPC* (20:4)* 0.9282 0.7398 0.6901 0.8520 1.1792 0.9972 1.0587 1.2511 1.5823 0.7141 0.7823 1.0791 0.9805 1.0076 0.8972 0.9520 2.2524 1.2528 0.7098 0.5783 1.0500 0.8258 1.0432 1.0502 0.5331 1.0715 1.4189 0.8793 1.0000 0.6101 1.4630 3.1163 1.3427 1-arachidonoyl-GPE (20:4n6)* 1.1578 0.8506 1.0000 0.5945 1.1553 0.8391 1.1595 1.1416 1.4087 0.7740 0.9785 1.0586 0.9568 1.0000 0.9167 0.8722 1.6288 1.0684 0.6742 0.8444 1.1031 0.7513 0.8838 1.1591 0.5616 1.0548 1.6365 0.6051 0.9228 0.4850 1.2922 3.3258 1.5865 1-arachidonoyl-GPI* (20:4)* 1.3071 0.9126 1.0896 0.7636 0.8828 0.7503 0.5970 1.2159 1.0000 0.8182 0.9345 2.1182 0.5267 1.4743 1.1274 1.3013 3.4278 1.4439 0.7730 0.4128 1.1625 1.0206 1.1550 0.6873 0.3011 0.8132 1.6082 0.6990 0.8454 0.5095 1.3870 2.9208 1.7717 1-arachidonylglycerol (20:4) 0.9478 0.6635 0.5559 0.5850 0.8740 0.9569 0.9694 1.0933 1.8078 0.6564 1.0000 1.0302 1.6139 1.0375 1.1090 0.8807 2.9365 0.9377 0.9957 0.7283 0.9260 1.0056 0.9652 1.3144 0.6969 1.1310 1.4229 1.1769 1.1832 0.9014 1.6847 3.1772 1.3144 1-carboxyethylisoleucine 1.0491 4.3265 1.4284 0.4716 0.5162 0.5802 0.2557 0.6812 0.5589 0.6975 1.3962 3.6995 1.2239 1.2493 1.5624 1.0000 1.2558 1.7185 1.0238 0.6366 0.9321 0.8284 1.1029 1.0646 0.8342 1.6406 1.1877 1.0689 0.7460 0.8847 0.6204 0.4512 0.5092 1-carboxyethylleucine 0.8219 3.9319 2.1578 0.5209 0.7312 0.6142 0.4930 0.6578 0.5723 0.6887 1.8503 3.9891 1.1477 1.5550 1.6728 0.9873 1.2628 1.8547 1.2199 0.8122 1.0693 0.9853 1.1787 1.2368 1.0000 1.7352 1.0033 1.7200 0.8041 0.7425 0.7399 0.5652 0.7207 1-carboxyethylphenylalanine 0.6836 5.0660 2.0027 0.3913 0.6208 0.4964 0.4086 0.5750 0.5465 0.5917 1.9484 5.3468 1.4054 1.9266 1.7850 1.1792 1.4304 2.4433 1.1865 0.7245 0.8140 0.8773 1.1668 1.0000 1.1537 1.9242 1.1187 1.9371 0.7328 0.7093 0.7053 0.6364 0.7073 1-carboxyethyltyrosine 0.3137 6.1611 2.3856 0.4460 0.6041 0.4381 0.3137 0.3643 0.6136 0.4701 2.1773 6.8026 1.3150 2.6196 1.8243 0.9168 1.0832 2.8612 1.3380 0.8874 0.8707 0.6352 1.5635 1.2709 1.3387 1.9733 1.2301 2.1489 0.3743 0.5681 0.5661 0.5932 0.7285 1-carboxyethylvaline 0.8278 4.7893 1.5886 0.4705 0.5998 0.5333 0.4285 0.6227 0.5270 0.6699 1.5948 4.7095 1.2596 1.5569 2.0803 1.1784 1.6466 2.1316 1.2274 0.8889 1.0779 1.0568 1.0000 1.0954 0.8723 1.6835 0.9482 1.6184 0.7879 0.8769 0.6735 0.6411 0.6553 1-dihomo-linolenylglycerol (20:3) 1.3195 0.9420 0.7220 0.6088 0.9297 1.1896 0.9840 1.3248 1.5436 0.8595 0.8908 1.0000 1.1154 0.7672 1.4644 1.1961 1.5877 0.7986 0.7581 0.9164 0.8939 1.3138 0.8177 1.2030 0.5077 1.0767 1.2324 1.2218 0.9728 0.7827 1.3170 2.6846 1.4552 1-dihomo-linoleoylglycerol (20:2) 0.8400 1.5047 0.5188 0.8107 1.2826 1.2961 1.2069 1.3678 1.6999 1.4789 0.8129 0.7896 0.9278 0.8203 1.0000 0.6712 1.6272 1.0109 0.9726 0.8894 0.8337 0.8246 0.9592 0.7228 0.4643 1.1950 1.7942 1.6008 1.6048 0.8603 1.9105 2.9820 1.3030 1-docosahexaenoylglycerol (22:6) 0.5382 0.7228 0.2375 0.5107 0.8833 1.0650 1.0000 1.4018 1.9062 0.7251 1.1270 0.8887 2.6997 1.1437 0.7274 0.5776 2.9197 0.8611 0.7921 0.4422 0.6890 0.3133 0.8043 1.9017 0.4582 1.8394 2.2698 1.6009 2.1394 1.7152 3.1524 9.1475 2.0554 1-heptadecenoylglycerol (17:1)* 1.9087 1.7255 1.2016 0.4093 0.6284 0.4093 0.5757 0.4093 1.2676 0.4986 1.6721 0.4093 0.6703 0.4093 0.5434 0.4093 1.0000 0.4093 0.4093 0.4093 0.4093 0.4093 0.4093 1.1283 0.4093 0.4198 1.0008 0.5955 0.4093 0.5124 0.4093 2.3411 1.6783 1-lignoceroyl-GPC (24:0) 0.9267 0.9378 0.8395 0.8729 1.1992 1.0000 1.1875 1.1221 1.1755 0.8562 1.1506 0.9758 1.2903 1.0280 0.9502 0.9579 0.8559 1.1913 0.9553 0.9428 1.1367 1.3237 1.1081 0.9362 1.4152 1.0304 1.1084 1.0863 0.9969 0.8678 1.0083 0.6290 0.9070 1-linolenoyl-GPC (18:3)* 2.7057 2.2127 2.9855 1.9445 2.2045 1.7255 1.6078 1.9403 1.6019 2.2292 1.3553 0.5214 0.9155 0.7217 0.5777 0.4488 0.4225 0.6439 1.2044 0.9542 0.9315 0.5873 0.7873 0.6431 1.0135 0.9970 1.2175 0.6720 0.8815 0.8996 1.0000 1.1949 1.3831 1-linolenoyl-GPG (18:3)* 1.1006 0.6271 0.6271 0.6271 0.6271 0.6271 0.6271 0.7861 0.6271 0.6271 1.0000 2.0752 0.6271 1.2163 1.4701 0.6534 1.9056 0.6271 0.8908 0.6271 0.6271 1.3049 0.9230 0.7523 0.6271 0.6271 0.6271 0.6271 0.6271 0.6271 0.9222 0.6271 1.5111 1-linolenoylglycerol (18:3) 2.9600 1.8030 1.2256 1.0603 1.7784 1.3008 1.0625 2.2567 1.8304 1.2621 1.2054 0.7851 1.3186 0.8295 0.9487 0.5470 0.9014 0.5690 0.6940 0.7581 0.5445 0.4066 0.6898 0.9828 0.4914 0.9290 1.7397 1.0000 0.8463 0.5110 1.2673 2.5393 1.6315 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* 1.2042 1.3858 1.0783 1.4271 1.5126 1.4057 1.2732 1.2121 1.1411 1.2952 1.0959 0.5083 1.0131 0.5554 0.6349 0.5518 0.5685 0.5500 0.7565 0.7468 0.6996 0.5106 0.6842 1.2102 1.1681 1.0325 0.9623 0.5556 0.8678 0.9871 1.0110 1.0000 0.9484 1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)* 2.6425 2.0589 2.7398 1.8082 2.5030 2.0548 1.8829 1.7790 1.6415 2.3976 1.4389 0.4318 0.9274 0.3987 0.6048 0.5379 0.4281 0.5131 0.6697 1.1142 0.6584 0.5669 0.4424 1.5310 1.4064 1.1228 1.1384 0.4164 0.7770 0.8996 1.0000 0.9220 0.8877 1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)* 4.7647 2.8037 4.4325 3.9126 4.1939 3.6321 2.8249 3.3349 2.5766 5.0698 1.8599 0.6874 0.9575 0.8877 0.8181 0.5380 0.7432 0.6325 1.6451 2.6410 1.0000 0.5819 1.0847 1.4846 1.7419 0.8968 0.9738 0.3957 0.6308 0.5771 0.7565 0.9313 0.8078 1-linoleoyl-GPC (18:2) 3.2025 1.6383 2.5499 1.9146 2.5447 2.3796 1.3453 1.6470 1.5408 3.1702 1.7958 0.7491 0.6682 0.6975 1.0007 0.6155 0.7147 0.6991 0.9638 0.9997 0.7469 0.9254 1.0026 1.1852 0.9487 1.4942 1.0376 0.9702 0.8991 0.9622 0.6832 0.6248 1.0000 1-linoleoyl-GPE (18:2)* 3.0133 1.5362 2.8998 1.0000 2.1404 1.5245 1.1044 1.6747 1.6460 1.3905 1.3090 0.5623 0.9670 0.6872 0.5714 0.4890 0.8057 0.6016 0.5545 1.1355 0.9250 0.4218 0.5757 1.5607 0.7286 0.9277 1.2639 0.3741 0.7106 0.3936 1.1704 2.9293 1.3674 1-linoleoyl-GPG (18:2)* 1.1820 0.6410 0.7845 0.7830 1.0259 0.6653 0.7008 1.2107 0.9440 0.7306 1.0000 1.6307 0.8741 1.1260 1.4109 1.1807 2.3062 0.8005 0.9364 0.6651 0.8533 1.0816 0.8159 1.1594 0.6149 1.0419 1.2109 0.9295 1.2921 0.5761 1.5839 2.0821 1.5802 1-linoleoyl-GPI* (18:2)* 2.6695 0.9034 1.9923 1.0000 1.7816 0.9780 0.7922 1.7310 1.0851 1.3758 0.9939 1.4839 0.5744 1.5327 1.2358 1.3901 2.7215 1.4121 0.6561 0.5129 0.8695 0.6127 0.9671 0.9537 0.5072 0.7148 1.6216 0.7240 0.9402 0.5278 1.3770 2.7579 2.0380 1-linoleoyl-GPS (18:2)* 1.4738 0.1788 1.0000 0.4886 0.8965 0.8385 0.7438 1.1373 1.1663 0.5995 0.9530 0.8440 1.3818 1.0442 0.8438 0.4619 1.4612 1.1699 0.1788 1.0825 1.5057 0.9545 0.8836 1.1121 0.3020 1.1054 1.8876 0.7826 0.6247 0.1788 1.3299 2.6731 2.0587 1-linoleoylglycerol (18:2) 2.0123 1.0887 1.0110 0.8286 1.5753 1.1189 0.8871 1.8889 1.5821 1.1051 1.1372 0.7048 1.1399 0.9171 0.8402 0.4671 1.2054 0.5344 0.6140 0.5623 0.6050 0.3260 0.5765 1.2119 0.4381 0.8601 1.5435 1.0000 0.9063 0.6864 1.2982 2.3571 1.6479 1-meadoylglycerol (20:3n9)* 1.2715 0.9596 0.7610 0.4604 0.7609 0.8692 0.4604 0.6787 1.0000 0.4604 1.6040 0.6473 5.0720 1.1041 2.1059 2.4696 0.4604 0.4926 0.6832 0.4604 0.4604 0.4604 0.4604 4.0028 0.5709 0.5678 0.4604 1.6867 0.4604 0.4604 1.2422 4.3554 2.6487 1-methyl-4-imidazoleacetate 1.1522 1.9441 1.0425 0.9650 0.9872 0.7338 0.9895 0.6388 0.9348 1.2731 1.1227 0.6397 0.7747 1.3218 0.8245 0.4720 0.5627 1.2057 1.7828 1.5475 1.2248 0.9327 2.7042 0.5848 0.8400 0.8383 0.8987 1.0000 2.4628 1.6599 2.1617 2.2601 3.3783 1-methyl-5-imidazoleacetate 0.9929 1.6542 0.8512 1.0132 0.8846 0.9393 0.7741 0.7492 0.6194 1.6958 0.4543 0.9722 0.8477 1.4456 1.1637 0.9662 1.0991 1.4353 2.1494 0.6512 1.5501 1.1888 1.3886 0.8157 0.7168 1.0658 0.6514 1.2537 0.8261 1.0000 1.5535 1.2432 1.2688 1-methylguanidine 1.1807 0.7578 1.0978 1.2194 1.6305 0.9880 1.0670 1.3787 0.8797 1.0222 1.0111 0.6210 1.1619 0.8396 0.6351 0.5729 0.6969 0.6661 0.8712 0.6800 0.7588 0.6283 0.9625 1.1093 1.0267 0.8665 1.0000 0.8537 1.0474 1.2714 1.2217 1.3104 1.3088 1-methylhistidine 0.7828 0.9199 0.6261 1.0000 0.6789 0.9601 0.6265 1.0347 0.6404 0.9995 0.4137 2.0431 0.5642 1.7702 2.4598 1.9581 4.9607 1.5919 1.2287 0.8116 1.2829 1.7002 1.9990 1.0159 0.6235 1.3496 0.8609 1.1320 1.2696 1.7025 0.8294 0.9307 0.8482 1-methylnicotinamide 0.9758 2.0256 1.1462 0.6665 1.4104 1.6477 1.2763 0.8930 1.0309 1.1603 1.0462 1.6353 0.5390 0.6346 0.6299 0.9956 1.2472 1.0000 1.0181 2.1549 1.0967 0.5318 0.9537 0.9771 0.6364 0.4180 1.0178 0.5517 1.6891 0.2576 0.6076 1.5135 0.7433 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* 0.7053 0.6426 0.5709 0.6501 0.6356 0.5698 0.8309 0.5801 1.0403 0.7846 0.8804 1.4617 0.7613 1.2312 1.1503 1.0055 1.8336 1.8482 1.1382 0.8210 1.0179 1.2661 1.3664 0.6487 0.7523 0.8984 0.9967 1.0861 1.0000 1.2574 1.0292 1.0475 1.1656 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) 1.2751 0.8764 1.0000 0.7418 0.6671 0.7663 0.9830 0.7380 1.1486 1.0734 0.9902 1.5326 0.9465 1.1831 1.3843 1.3803 1.4341 1.8317 1.2264 1.1696 1.0389 1.6858 1.1561 0.8756 0.8218 0.8587 1.1405 1.1118 0.8280 0.8501 0.8493 0.7571 0.9047 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* 1.5682 1.2302 1.4771 0.9947 1.1781 1.1246 1.0780 0.9177 1.0174 1.2189 1.0189 0.9999 0.7020 0.7633 1.2230 0.9521 1.0564 1.1129 0.8616 1.0402 1.0130 1.0499 0.8156 1.0079 1.0000 0.9776 0.9097 0.6307 0.7738 0.9036 0.7898 0.7990 0.7461 1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)* 1.0000 1.1855 1.1062 1.1299 1.4646 1.1179 1.3003 0.8622 1.0887 1.5060 1.3245 0.6521 0.9530 0.5330 0.9444 0.7555 0.9091 0.6307 0.8043 1.1070 0.6452 0.6527 0.6964 0.8729 1.1624 1.1330 0.9138 1.1054 1.0277 1.2526 0.9287 0.9219 1.0941 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* 0.5282 0.8066 0.5193 1.0000 0.8607 0.8353 1.0331 0.7789 0.7816 0.5716 1.0129 0.8824 1.3936 1.1721 0.9521 0.9806 1.4570 0.9402 1.1187 0.9740 0.8241 0.8202 1.3620 0.9560 1.1598 1.1946 1.3142 1.4996 1.1642 1.2574 1.2262 1.3299 1.6716 1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)* 0.7928 0.9606 0.7840 1.1473 0.9420 1.0000 0.9924 0.8025 0.7344 0.8464 0.9592 0.8825 1.0843 1.0704 0.9396 0.8712 1.3127 0.9370 1.0431 0.8179 0.8470 0.8011 1.0043 1.1502 1.1963 1.1767 1.2875 1.1495 1.0632 1.2070 1.2470 1.0462 1.3218 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 1.9261 1.4214 1.6430 1.2446 1.5075 1.4023 1.0144 1.0496 1.0717 1.4938 1.2461 0.8496 1.0000 0.7894 1.0395 0.9230 0.7764 0.8949 0.9051 1.0170 0.7440 0.8988 0.8256 1.3195 1.2040 1.0316 0.9072 0.7308 0.6764 0.7970 0.7976 0.7292 0.9239 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* 4.4856 1.8771 3.6610 1.8886 2.2280 2.3347 1.1437 1.3031 1.3705 2.2783 1.8166 0.8805 1.0000 0.7406 1.3248 0.8905 0.7169 0.8023 0.8252 1.5812 0.9147 0.8362 0.7094 1.7014 1.7341 1.0614 0.8657 0.6534 0.7119 0.7563 0.8093 0.7223 0.9973 1-oleoyl-GPC (18:1) 1.5457 1.4629 1.6207 0.9336 1.1676 1.0058 1.0125 0.7319 1.1882 1.2007 1.1464 0.8076 0.8042 1.0000 1.0106 0.8815 0.9284 1.1186 1.1285 0.9660 0.8616 0.9728 0.9143 0.7472 0.9093 1.0093 1.3195 1.0365 0.8316 0.9517 0.9664 0.8449 1.3779 1-oleoyl-GPE (18:1) 2.7637 2.1295 3.3503 1.0000 1.6417 1.2521 0.7885 0.9964 1.0385 1.4450 1.4942 0.8160 0.7129 0.8981 0.9378 0.7274 0.6727 0.8608 1.0043 1.3801 0.9236 0.7660 0.7226 1.0174 1.0535 0.9872 1.1914 0.8464 0.9829 0.9551 1.0830 1.0019 1.6233 1-oleoyl-GPG (18:1)* 1.2387 0.6880 0.6873 0.6510 0.8837 0.6902 0.8109 1.0243 1.0500 0.4404 1.0195 1.3037 0.5216 1.2732 1.2451 1.5043 2.4412 1.0000 0.8173 0.6377 0.8720 0.8473 0.9608 1.1855 0.4827 0.9985 1.4029 1.2297 1.2588 0.8360 1.5200 3.2241 1.9973 1-oleoyl-GPI (18:1) 1.7179 0.9139 1.4871 0.3250 1.3487 0.6551 0.5226 1.1506 0.6381 1.0000 0.9267 1.6424 0.6870 1.0637 1.2884 1.6982 3.4960 1.9164 0.7288 0.3318 1.0302 0.8943 0.8936 0.5035 0.3362 0.7906 1.1032 1.1077 0.8674 0.5364 1.1903 2.9044 1.7967 1-oleoyl-GPS (18:1) 0.6999 0.2851 0.3214 0.4100 0.6175 0.4266 0.6958 0.8534 1.1639 0.2851 0.5334 1.4484 0.2851 1.0659 1.4493 1.2079 1.9016 1.3218 0.8120 1.0332 1.6571 1.9967 1.0000 0.7297 0.2851 0.7065 1.4934 0.6703 0.7080 0.2851 1.9749 3.2622 1.8428 1-oleoylglycerol (18:1) 2.0613 1.5122 0.9320 0.7135 1.1025 0.9975 0.6654 1.3721 1.0683 1.0271 1.3383 0.8235 1.0000 0.8964 1.0665 0.9091 1.4795 0.6424 0.5938 0.5831 0.4698 0.4461 0.5992 1.0455 0.4035 0.8673 1.8224 1.4930 1.0277 0.5621 1.2925 2.4844 2.1954 1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)* 4.7064 1.7070 4.5098 3.7289 3.2352 3.3814 2.7070 2.1299 1.9266 5.0321 1.5744 0.8400 1.0228 0.6502 0.8747 0.6899 0.9205 0.7862 1.3422 1.9347 0.4769 0.7364 0.8126 1.1496 1.5230 0.8282 0.7978 0.5798 0.7027 0.7269 0.9249 0.9187 1.0000 1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)* 0.6865 0.6590 0.5317 0.7587 0.5568 0.4799 0.8093 0.6169 1.0323 0.7524 0.8583 1.4283 0.6999 1.3093 1.0584 1.0000 1.9831 1.8061 1.1096 0.8887 1.1144 1.2030 1.3765 0.6144 0.7517 0.8370 0.9522 1.1258 1.0656 1.1691 1.0517 1.0055 1.1517 1-palmitoleoyl-GPC* (16:1)* 2.6372 1.6736 2.3518 0.8110 1.0179 1.1986 1.0775 0.6969 1.5821 1.4308 1.8037 0.8291 0.9839 0.8266 1.0321 0.9915 0.7734 1.3322 1.0000 1.2018 0.8163 1.0564 0.8703 0.9092 0.8924 1.1366 1.3379 0.8757 0.7405 0.8771 0.9014 0.8985 2.0923 1-palmitoleoylglycerol (16:1)* 5.1853 2.4869 1.1715 0.2593 0.9159 0.9709 0.5853 0.9800 1.2913 1.1356 1.1749 1.0000 1.0803 0.6038 1.3719 0.9900 1.1882 0.9060 0.1853 0.2276 0.2697 0.4080 0.7124 1.4977 0.5653 1.0205 2.0683 1.4318 0.9026 0.7424 1.0521 2.2901 2.4155 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 0.7539 0.8562 0.7015 0.9103 0.9179 0.8992 0.9701 0.9242 0.8984 0.8641 1.0247 1.1224 0.9099 1.0239 1.0000 0.8271 1.1872 1.1576 1.1020 0.9302 0.9903 1.1696 1.0597 0.9615 0.9371 1.1514 1.0411 1.1243 1.0691 1.2075 1.0242 1.0307 1.0787 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 1.3750 0.9747 1.5704 0.8594 1.0631 1.1640 0.9837 0.8713 1.1666 1.2441 1.1040 1.2782 0.8507 1.0163 1.2512 1.0715 1.2575 1.3186 0.9655 1.1271 1.0000 1.2336 0.8709 0.9535 0.9176 1.0226 0.8599 0.7498 0.8775 0.9801 0.8929 0.7724 0.8970 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 1.0000 1.0185 1.2513 1.0691 1.2265 0.9661 1.1112 1.1169 1.1323 1.2860 1.0339 0.9985 0.9861 0.9833 1.0430 0.8582 0.8609 0.8980 1.0364 1.2419 0.8672 1.0906 0.8872 0.7217 1.0366 0.8802 0.9864 0.9027 1.0016 0.9219 0.9825 1.0335 0.9399 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) 0.3582 0.6510 0.4296 0.9883 0.6408 0.6501 0.9652 0.7129 0.8305 0.4965 0.9783 1.0098 1.3007 1.4851 0.7714 0.9127 1.7522 1.2150 1.3412 0.9669 0.9202 1.0759 1.5160 0.8157 1.0000 1.3655 1.1939 1.5199 1.2326 1.3581 1.3147 1.4628 1.6307 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* 0.3853 0.5123 0.4178 1.0120 0.5567 0.7159 0.7065 0.6993 0.9007 0.5589 0.9495 1.0686 0.9872 1.3997 0.7085 0.7947 1.5080 1.2333 1.3143 0.8080 1.1313 1.0226 1.1408 0.7473 1.0000 1.1997 0.9088 1.2801 1.3103 1.3971 1.3959 1.1259 1.2737 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 1.6757 1.1885 1.5029 1.1966 1.3903 1.3345 1.0000 1.1113 1.1013 1.6398 1.2174 0.9479 0.9660 0.8810 1.0590 0.8988 0.8264 0.9145 1.0090 1.1778 0.8321 0.9687 0.8462 1.2570 1.0473 1.0277 0.8599 0.7617 0.6983 0.8073 0.7792 0.7430 0.9074 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 3.1480 1.1435 2.8414 1.4551 1.4655 1.8757 0.9874 1.0507 1.3493 1.9505 1.6221 1.0156 1.0341 0.8342 1.0000 0.7818 0.6758 0.8509 0.8703 1.5120 0.8903 0.8999 0.6805 1.4371 1.2981 1.0107 0.7128 0.5667 0.6115 0.7258 0.6929 0.6507 0.8471 1-palmitoyl-2-linoleoyl-GPG (16:0/18:2) 1.4396 1.3426 1.5559 1.8948 1.7544 1.3677 1.5460 1.0067 1.3289 1.6219 1.3900 0.6011 1.2779 0.6428 0.5219 0.5287 0.4601 0.7328 0.8130 1.0000 0.6322 0.4652 0.5921 1.0898 1.3820 1.0002 0.8634 0.5587 0.8641 0.9512 0.9192 0.9777 1.1952 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) 1.5018 1.0766 1.9254 1.3448 1.3882 1.2368 1.2406 1.2325 1.3392 1.6232 1.1802 0.8588 0.7944 0.9321 0.9642 0.8520 0.5903 0.9478 0.9714 1.4682 0.7429 0.6025 0.6989 0.8870 1.2064 0.6873 0.9767 0.9388 1.1735 0.8947 1.0000 1.0064 1.3315 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 1.1307 0.9043 0.9775 0.9042 0.9493 0.8952 0.9098 0.6954 0.9353 0.9281 1.1155 1.1039 1.0690 1.0759 1.1234 1.0579 1.1260 1.1956 1.0387 1.1835 0.8940 1.3001 0.9992 1.0080 0.9860 1.0923 1.0000 1.1175 0.8123 0.9648 0.8685 0.9457 1.0843 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 1.3599 1.0508 1.1546 0.9867 0.7975 1.2035 0.8322 0.6430 1.1411 0.9608 1.4036 1.1084 0.7721 0.9866 1.0731 0.9139 1.0000 1.3207 0.9991 1.1678 1.0507 1.2037 0.7382 0.8165 1.0962 0.9441 0.9545 1.1219 0.8752 1.0116 0.9169 0.7214 1.3001 1-palmitoyl-2-oleoyl-GPG (16:0/18:1) 0.8442 0.9167 0.8307 1.1484 0.8717 0.9328 1.1300 0.5700 0.9534 0.9925 1.2694 1.1377 1.1646 1.2164 0.8522 0.7787 1.1603 1.0781 1.1491 0.9753 0.8919 1.0566 0.9945 0.7084 0.9187 1.2093 1.0000 1.2404 1.0483 1.2404 1.2006 0.8593 1.3786 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* 0.4621 0.6125 0.6701 1.2107 0.9898 1.0435 1.0000 0.7576 1.1600 1.0286 1.1097 0.8040 1.3440 0.8628 0.9227 0.5754 1.1068 0.9092 1.0554 0.7410 0.8785 0.5720 0.9396 0.8480 1.1041 1.0712 1.0534 1.2006 1.0386 1.0759 1.1647 0.9644 1.1811 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 1.6526 1.0000 1.2416 0.6516 0.7148 0.8885 0.8316 0.5947 1.0130 0.9497 1.2966 1.5060 1.0049 0.9886 1.6745 1.7578 1.1273 1.6594 1.0240 1.2448 0.9171 1.6574 0.9822 1.0842 0.8590 0.9054 1.0926 0.9563 0.6989 0.8138 0.7181 0.6910 1.2560 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 0.8890 1.0860 0.8631 0.9471 1.0436 0.9796 1.0744 0.8228 0.8711 0.9896 0.8698 1.2024 0.8131 1.0468 1.3608 1.1538 1.3159 1.0188 1.0458 1.0376 1.0000 1.0634 0.9972 0.8786 0.9742 1.1586 1.3603 1.2397 0.9683 0.9051 0.9571 0.9496 1.1286 1-palmitoyl-2-stearoyl-GPE (16:0/18:0)* 0.7599 1.0564 0.7713 1.1307 1.1052 1.0740 0.9959 0.7513 1.3978 0.8699 0.6498 0.8486 0.7227 0.7816 1.0523 0.9729 1.3701 1.0339 0.9234 0.8463 1.0041 0.9831 0.7045 0.6498 1.1229 1.1486 1.4655 1.4240 1.2156 0.8918 1.0479 0.7794 1.5074 1-palmitoyl-GPA (16:0) 1.0000 0.9579 0.4819 0.8993 1.4272 1.1130 0.9243 1.0457 1.9298 0.9240 0.8666 0.6724 1.3352 0.6210 0.7508 0.7824 2.5741 1.3461 0.5560 0.8339 0.6329 0.7108 1.0238 2.3364 1.1064 2.5252 1.6547 1.0441 1.0271 0.8305 1.6203 3.7951 0.7749 1-palmitoyl-GPC (16:0) 1.1434 1.1790 1.2179 1.0061 1.0498 1.0431 1.2027 0.7238 1.2167 1.1124 0.9804 0.8321 0.8553 1.0000 0.9425 0.8410 0.9301 1.2253 1.1427 0.9506 0.9805 1.1435 0.9666 0.6513 0.9586 1.0431 1.0888 1.0134 0.8225 0.8633 0.9864 0.7584 1.1284 1-palmitoyl-GPE (16:0) 1.5302 1.2830 2.1040 0.8345 1.0168 0.9591 0.7300 0.7991 1.1158 1.1202 1.1853 1.0886 0.7652 1.3865 0.9323 0.8016 0.9476 1.1106 1.0990 1.4152 1.1179 1.0000 0.8752 0.7334 0.8284 0.9988 1.0478 0.9010 0.9850 0.9805 1.1655 0.9574 1.3720 1-palmitoyl-GPG (16:0)* 1.3334 1.0394 1.3137 0.7634 1.1901 0.9098 0.7273 1.0569 1.3588 0.7665 1.0632 1.2213 0.9072 1.0000 0.6022 0.6535 1.6363 1.1619 0.7101 0.8614 0.9213 0.7316 0.8318 0.9619 0.4783 1.0576 1.3121 0.7458 1.1634 0.7004 1.7977 3.8484 1.9834 1-palmitoyl-GPI* (16:0) 1.0563 0.9046 1.0604 0.3594 0.8240 0.5941 0.5608 1.0000 0.8591 0.6348 0.8176 2.1472 0.6963 1.3779 1.2605 1.2356 3.6368 1.9361 0.7221 0.7008 1.0458 1.3951 1.0354 0.6681 0.3569 1.0121 1.1877 0.9334 0.9235 0.5351 1.0380 2.8673 1.3956 1-ribosyl-imidazoleacetate* 1.5787 3.6898 0.6233 0.7074 0.9446 0.9078 1.0265 0.9832 0.8481 0.8347 0.8332 1.1128 0.7625 1.2689 1.3337 0.8841 0.8523 0.5375 1.4340 1.1641 1.0000 1.1755 1.1247 0.7351 1.5063 0.6674 1.2114 0.8498 1.2208 0.8646 1.4601 1.3651 1.7286 1-stearoyl-2-arachidonoyl-glycosyl-GPE (18:0/20:4) 1.3541 5.7166 1.4983 0.5316 0.2743 1.2338 0.9882 0.8799 0.7834 1.4281 0.2743 0.2743 0.2743 0.6298 0.2743 0.2743 0.2743 0.6393 2.1893 2.0259 0.9778 0.8570 1.5158 1.8125 1.0000 0.2743 1.8275 0.2743 0.6801 1.2454 0.9622 0.5324 2.4517 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 0.6737 1.0791 0.6111 1.1048 1.1003 1.0000 0.9272 1.0305 0.9648 0.8708 0.9887 1.1139 0.9438 0.9400 0.9874 0.7881 1.1194 0.9893 0.9459 0.7925 1.0154 0.9760 1.0881 1.0043 0.9754 1.2061 1.0532 1.1560 1.0985 1.2314 1.1844 0.9585 1.0661 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 1.2055 0.9817 1.1275 0.9449 1.2024 1.0551 1.0581 0.9368 1.0000 1.4336 1.0452 1.2165 0.7551 0.9655 1.1875 1.0582 1.3168 1.1064 1.0543 1.0075 0.9523 1.1431 0.9966 0.9163 0.8888 1.0733 0.9494 0.8113 0.8260 0.9152 0.8579 0.7705 0.8512 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 0.7005 1.0088 0.8657 1.2350 1.0672 1.0877 1.0248 0.6489 0.6791 0.5538 0.8234 1.1225 1.0898 0.9645 1.1125 0.5824 1.3048 0.8618 1.0000 0.8376 0.9502 1.0783 0.8734 0.6873 1.0466 1.0594 1.1429 0.9479 0.9246 1.0702 1.1269 0.7150 1.2094 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 0.7315 0.6870 1.0446 1.0918 0.9973 0.9920 0.9607 0.5694 1.0641 1.0529 0.9724 1.6319 1.0469 1.0329 1.8234 1.0184 1.5795 0.9548 1.1380 1.0371 1.0000 1.4941 0.8278 0.5810 0.8461 1.0238 1.0309 0.9567 0.9046 0.8494 0.9871 0.5209 1.0822 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) 0.2951 0.6892 0.3332 0.9622 0.6686 0.6599 0.8151 0.7912 0.7811 0.5778 0.9607 1.1431 1.2973 1.4682 0.9457 0.9892 1.8251 1.2262 1.3764 0.8979 1.0701 0.9475 1.5657 0.7598 1.0000 1.3868 1.3393 1.6387 1.4688 1.5727 1.4282 1.3357 1.7338 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)* 0.4263 0.5973 0.3577 1.0680 0.7510 0.7987 0.8078 0.7861 0.7259 0.8165 0.9826 0.7849 1.3139 1.2009 0.5760 0.7012 1.3658 1.1502 1.1306 0.7385 0.9864 0.7757 1.2975 1.0681 1.0000 1.3233 1.1427 1.2887 1.1396 1.4697 1.3633 1.3516 1.5121 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 1.9548 1.6430 1.7045 1.2855 1.8746 1.6974 0.9869 1.3868 1.1809 1.9886 1.4583 0.9493 1.0894 0.8143 1.1838 1.0000 0.8601 0.8491 0.9244 1.2808 0.8609 0.8422 0.8171 1.4423 1.2351 1.1697 0.9310 0.8322 0.7203 0.8321 0.8206 0.7989 0.8919 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* 2.2183 1.3478 1.8011 1.3679 1.5281 1.6035 1.0000 0.9981 1.1245 1.7622 1.4475 0.9837 0.9683 0.9211 1.1550 0.8537 0.8974 1.0049 0.9482 1.4593 1.0150 0.9030 0.8376 1.3010 1.2675 1.0166 0.9512 0.6183 0.7155 0.8019 0.7876 0.7259 0.9356 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) 1.2804 1.1288 1.3979 1.2067 1.3498 1.1192 1.0203 0.9403 0.9791 1.2484 1.0000 0.7613 0.9885 1.1292 1.0755 1.1072 0.8483 0.9195 0.8962 1.0967 0.8468 0.6291 0.8810 0.9165 1.2068 0.8513 1.1349 0.9969 1.1135 0.9444 0.9872 0.8953 1.3564 1-stearoyl-2-linoleoyl-GPS (18:0/18:2) 1.4696 0.9840 1.6340 1.1579 1.5301 1.1601 0.6895 0.6983 0.9869 1.6444 1.3859 1.1425 0.9665 1.0286 1.6325 0.8169 1.0159 0.8416 1.0000 1.2124 1.1301 1.3439 0.9055 0.6784 0.8275 0.8343 1.0367 0.8988 0.7763 0.8445 0.8524 0.4990 1.2732 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 0.9551 1.1672 0.8464 0.9608 0.8863 0.8955 0.8653 0.6808 0.9579 0.9071 1.1977 1.2681 0.8523 1.1354 1.3039 1.0696 1.3373 1.2958 0.9922 0.9840 0.9772 1.2414 1.0335 0.8534 1.0000 1.1589 1.2116 1.0475 0.9037 1.0653 1.0207 0.8735 1.1955 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 0.7243 0.8932 0.6200 0.8546 0.7694 0.8272 0.6116 0.5688 0.7995 0.6624 1.0919 1.4957 0.6738 1.1706 1.6446 1.3325 1.4567 1.3671 1.0000 1.0817 1.2056 1.4363 1.0460 0.6555 0.8704 0.9988 1.0232 1.2681 0.9931 1.0703 1.0439 0.6632 1.4160 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 0.6929 0.7732 0.9824 1.1427 0.9837 0.8691 0.8137 0.6491 1.0000 0.8729 0.8316 1.6689 1.0887 1.2539 2.1911 1.8557 1.3669 1.0480 1.7551 1.4357 1.4687 1.7696 1.0252 0.6775 0.8509 0.9612 1.2877 0.9107 0.9543 0.8761 1.0251 0.6453 1.2244 1-stearoyl-GPC (18:0) 1.0598 1.1994 1.2314 1.0527 1.3073 1.1185 1.0123 0.8530 1.0842 1.1426 1.0437 0.9523 0.8014 0.8902 0.9798 0.8928 0.9498 1.1456 1.0595 0.8621 0.9569 1.0352 1.0198 0.7038 0.8496 1.1174 1.0161 0.9851 0.9939 0.9799 0.9872 0.8325 1.0000 1-stearoyl-GPE (18:0) 1.5500 1.4138 2.0765 0.8379 1.2988 0.9682 0.7920 0.9940 0.9161 1.3319 1.0842 1.0877 0.7311 1.2244 0.9195 0.7899 0.9460 1.0995 1.1259 1.3520 1.0744 0.9619 0.9646 0.8312 0.7993 1.0311 1.1946 0.7608 1.0000 0.9723 1.1057 0.9847 1.2870 1-stearoyl-GPG (18:0) 0.7461 1.2298 0.7380 0.4793 1.0736 0.9821 0.6290 1.1864 1.0000 0.6176 0.9351 1.3937 0.8837 0.8285 1.2586 1.0855 2.8139 1.8919 0.6436 0.6339 0.7886 0.7050 0.8738 1.0662 0.5949 1.3474 1.1271 1.1166 1.3245 0.8437 1.7465 3.0553 1.7722 1-stearoyl-GPI (18:0) 0.9129 0.9991 1.0314 0.4622 0.9245 0.6698 0.5688 0.8321 0.9240 0.6956 0.8010 2.8167 0.9343 1.3666 1.4578 1.2969 4.0738 1.9826 1.0000 0.5754 1.5686 1.3860 1.3675 0.8195 0.4872 1.1676 1.2306 0.8841 1.0225 0.5635 1.5171 2.7564 1.4534 1-stearoyl-GPS (18:0)* 1.1721 0.8386 1.1753 0.6912 1.0841 0.9120 0.8227 1.2223 1.0885 0.8210 0.7541 1.8892 0.7650 0.9864 1.4662 1.3334 3.4038 1.6538 0.6962 0.8912 0.9947 1.5191 1.0708 1.1827 0.4347 0.9269 1.0607 0.8788 0.8305 0.3875 1.4976 1.6989 1.0000 10-heptadecenoate (17:1n7) 1.9198 1.3029 1.2349 0.7879 1.1126 1.0132 0.8871 1.1871 1.2959 0.9274 0.9547 1.0782 1.1513 1.0000 0.8804 0.6860 1.5085 1.0288 0.7909 0.8409 0.7231 0.7069 0.8076 1.1290 0.7215 0.9650 1.3182 0.9737 0.9172 0.7035 1.2330 2.4502 1.8797 10-nonadecenoate (19:1n9) 2.0128 1.4434 1.2670 0.7264 1.4575 0.9616 0.7810 1.5177 1.1647 1.0484 1.0607 1.1104 1.1249 0.8812 0.9830 0.7403 1.5639 0.8396 0.6749 0.7887 0.7859 0.6038 0.7356 1.0656 0.5530 0.9399 1.6175 1.0000 0.6550 0.6475 1.0148 2.1756 2.3887 12-HETE 1.3795 0.8678 0.6144 0.9846 1.9877 0.8019 0.9207 1.0000 0.7540 0.3934 0.4926 0.6238 1.3194 1.0484 0.7602 0.8398 0.9341 1.0847 0.5848 3.1188 1.3733 1.5193 1.8510 0.7715 0.5061 0.7558 1.1023 1.1834 1.2296 1.6867 2.4992 1.4988 1.4561 12-HHTrE 0.1789 0.5659 0.3588 0.1789 1.1486 0.1789 0.9717 0.1789 1.0282 0.1789 0.1789 0.9718 3.1893 0.1789 0.1789 0.1789 0.7332 0.1789 0.5067 3.8773 0.1789 3.8731 1.1518 0.1789 0.1789 0.1789 0.4846 0.1789 0.1789 0.1789 1.6229 0.1789 1.2271 13-HODE + 9-HODE 1.9984 1.0400 1.7042 1.4717 1.4084 0.6522 0.8192 2.3843 0.9098 1.1765 1.0000 1.1611 0.9660 1.2609 0.5276 0.7721 0.4626 0.7457 0.9632 1.2574 0.7793 0.4890 0.9105 1.9730 0.9829 0.7656 1.1099 1.2289 0.9874 0.7770 1.2619 1.8172 1.6666 18-methylnonadecanoate (i20:0) 0.8808 0.7899 0.5088 0.5088 1.9861 1.1780 0.8270 1.7505 0.7988 1.0000 1.5439 0.5088 0.5088 0.8212 0.5088 0.5088 0.6799 0.5880 1.0252 1.6179 1.8079 0.9177 1.2293 0.8986 0.9051 1.1098 2.7341 0.6442 0.5088 0.6243 1.1196 1.5922 3.0061 2'-deoxyadenosine 1.3094 0.8599 0.6149 1.7574 0.9219 1.4644 1.2355 1.0870 1.0937 1.4471 0.7084 0.4291 0.6265 0.7771 0.4668 0.8565 0.8634 0.9674 0.8733 1.4282 3.0389 4.4945 1.2964 0.7037 0.4291 1.0326 0.8514 0.8217 1.1159 1.8709 1.4616 1.8396 0.9269 2'-deoxyadenosine 5'-monophosphate 0.4170 0.3857 0.3446 0.6772 0.4270 0.6431 0.4828 0.6380 0.4620 0.4705 0.7834 1.0000 0.6164 1.2308 1.1695 1.3393 1.2279 1.6005 1.4504 1.5881 4.0612 3.9280 1.7629 0.4673 0.5459 0.9848 1.0629 0.9049 1.1535 1.2225 1.2529 1.0931 1.3303 2'-deoxycytidine 0.8924 0.9243 0.8542 0.8000 0.9291 1.0045 0.9091 0.7661 1.0237 0.7446 1.0030 1.2459 0.8900 1.0026 1.3635 1.0138 1.2770 1.0740 0.8999 0.9521 0.9500 1.0328 1.0310 1.0000 0.8545 1.1923 1.0695 1.3013 0.9619 1.0584 1.0432 0.8179 0.9670 dCMP 0.6201 0.8356 0.6874 0.7452 0.8881 0.8983 0.7837 0.7913 1.0600 0.4370 0.8714 1.6905 1.2870 1.3239 2.1499 1.3029 1.5598 1.3930 1.0726 1.2635 0.9999 1.4382 1.4746 0.9395 0.9584 1.1979 1.0000 0.9404 1.1269 1.0403 0.7691 0.5959 1.0461 2'-deoxyguanosine 1.2503 0.5071 0.7005 1.0968 1.2113 1.1478 0.5491 1.2531 0.9983 0.7712 0.6477 1.5476 0.5071 1.0595 0.7277 0.9171 0.9011 0.9437 0.9960 1.0584 1.0469 1.2233 1.0829 0.8083 0.5656 0.6179 0.9016 1.0017 1.2751 1.0165 0.8221 1.2085 1.0350 2'-deoxyinosine 0.8930 0.8311 0.9530 0.6888 0.8214 0.7756 0.6476 0.7792 0.6294 0.8633 1.4293 2.2100 0.8916 1.1020 1.0000 0.8367 0.8840 1.1578 1.2506 1.6031 2.5354 3.2273 0.9682 0.6821 0.7980 1.1877 1.0806 1.1876 1.0489 1.4044 1.0191 1.1246 1.6732 2'-deoxyuridine 0.9764 0.5955 0.3873 0.8360 1.0141 1.1863 0.7910 1.1279 0.7710 0.6496 0.6698 1.1678 0.6649 0.8920 1.7085 1.7024 1.8794 0.9808 1.0348 0.9543 1.5845 2.0127 1.5460 0.8499 0.4342 0.9741 0.8893 1.4678 1.1069 1.2890 1.0141 1.1822 1.0000 2'-O-methyluridine 0.4737 3.0604 0.7119 0.6438 0.4737 0.6346 0.4972 0.6280 0.4737 0.7117 3.0691 3.1914 2.4888 1.3137 1.6923 1.6731 1.6066 1.3023 0.6645 0.8099 1.0000 1.3700 1.9582 1.3735 0.6823 1.5951 1.6315 2.4646 0.7141 0.7169 0.6312 0.7177 0.6671 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 0.9326 0.8113 0.9942 1.1293 1.0235 1.0305 0.9535 0.8106 0.8981 0.8489 0.7373 1.2207 1.1383 1.0871 1.2450 1.0439 1.1794 1.0885 1.0245 1.0000 0.9510 0.8572 1.2490 0.9096 0.8781 0.9021 0.9677 1.1512 1.2152 0.8453 0.9832 1.2681 1.0593 2,3-dihydroxyisovalerate 0.7343 1.1774 0.8413 0.7772 0.9668 0.6223 1.0959 1.0384 0.7942 1.1077 1.5037 0.4570 0.6915 1.0332 0.5009 0.9619 0.4570 0.4570 3.0577 1.8297 1.3393 0.9149 2.5407 0.8205 0.7111 0.4570 0.7641 0.8264 6.0997 3.1804 3.2131 2.7479 3.1730 2,4-di-tert-butylphenol 2.0903 1.0436 1.0000 1.0888 1.2040 0.9346 1.0778 1.3205 1.9417 1.0333 0.9789 1.1331 0.9248 0.7348 0.6872 0.9697 3.9506 1.3606 0.5202 0.8503 0.9025 0.4994 0.5938 1.0792 0.5046 0.9433 1.2761 0.5478 0.6948 0.4029 1.4434 3.3211 1.5914 2,4-dihydroxybutyrate 0.5010 1.0677 0.7954 0.7919 1.0000 0.6939 0.8711 0.6607 0.6253 0.6965 0.8400 0.9185 1.2533 1.6929 1.1871 1.0619 0.8962 0.9818 1.2815 1.0895 0.9378 1.0432 0.8737 0.9744 0.8196 1.2914 1.1614 1.6903 1.3092 1.1409 1.3535 1.0872 1.2626 2,6-dihydroxybenzoic acid 1.7908 0.8963 2.0057 1.5456 1.6115 1.6077 1.1964 1.6362 1.1700 1.1990 1.5098 0.3027 0.7301 0.6655 0.3107 0.3533 0.1065 0.2771 1.8863 1.0888 0.8590 1.0240 1.3351 0.5661 1.3287 0.9130 0.6151 0.6609 1.0000 0.9931 0.9887 0.9103 1.6947 2,8-quinolinediol sulfate 1.3148 15.3776 3.2193 1.1390 1.4466 1.3899 1.1986 0.5364 1.0000 1.3479 1.5318 0.1559 0.1559 0.7894 0.3182 0.3393 0.1559 0.1755 0.9641 1.2551 0.8301 1.3076 1.8037 0.1559 0.1559 0.4854 0.4644 0.2590 0.1559 0.3884 1.2067 0.2652 0.1559 2-aminoadipate 0.9974 0.8343 0.6064 0.8059 0.7757 0.7367 1.1652 0.8036 0.9617 0.8485 0.5139 1.6203 0.9636 1.0615 1.4182 1.6401 1.0273 1.3186 1.0251 0.9120 1.0431 1.5289 0.9715 1.0530 1.0442 1.2137 1.0898 1.0000 1.0528 1.0092 0.6202 0.9092 0.7004 2-aminoheptanoate 1.0631 1.4779 1.3608 0.8333 1.3551 1.4660 0.8619 1.3468 0.5147 1.5661 0.7777 0.5761 0.5147 0.9741 1.0920 1.0259 0.5147 0.7687 1.3787 0.7603 1.0342 0.5147 0.5147 0.5147 1.1992 0.8005 1.1095 0.9341 0.7754 0.8772 0.9171 0.8013 1.2114 2-aminophenol sulfate 1.9218 1.4155 2.2063 1.4618 1.9765 1.9498 1.8118 1.8594 1.3643 1.7906 1.5987 0.5870 0.4461 0.9225 0.6655 0.5036 0.2107 0.3421 1.5624 1.5425 1.0910 1.0000 1.5677 0.4841 1.1722 0.8016 0.8703 0.7445 0.6198 0.8990 0.9700 0.6305 0.8969 2-arachidonoylglycerol (20:4) 0.8368 0.8935 0.5253 0.5379 1.0000 1.0392 1.0167 0.8298 2.1109 0.6991 0.9765 1.0637 1.9712 0.7717 0.9078 0.3725 2.6573 1.2641 0.9869 0.8324 0.8877 0.9706 1.0427 1.0221 0.9873 1.3403 1.2478 1.0868 1.1426 0.9475 1.6792 2.6511 1.2981 2-docosahexaenoylglycerol (22:6)* 0.4580 0.9711 0.2326 0.4850 0.9789 1.1850 1.1144 1.0000 2.3082 0.7508 1.1579 0.8948 3.5310 0.7822 0.5769 0.2475 2.5815 1.2164 0.7636 0.5021 0.6452 0.3151 0.9126 1.5019 0.6435 2.3080 2.0079 1.5076 2.1065 1.8332 3.2108 7.3893 1.9993 2-hydroxy-3-methylvalerate 0.4896 6.3840 1.4015 0.4896 0.4896 0.4896 0.4896 0.5978 0.4896 0.4896 2.3092 1.5572 1.1329 0.6099 2.4586 1.0560 2.1139 1.0000 0.9709 0.8754 0.8675 0.7599 1.2005 0.7533 1.0001 0.4896 0.4896 1.7348 0.7038 0.4896 0.8510 0.5291 0.4896 2-hydroxybutyrate/2-hydroxyisobutyrate 0.2965 3.3442 1.3767 0.5100 0.5033 0.5910 0.4084 0.3933 0.3158 0.3794 1.0000 2.2809 1.9379 1.3207 2.7985 1.2138 1.8163 1.1187 0.9193 0.6687 0.6182 0.6589 0.8160 1.5999 1.1811 1.1852 1.1234 1.5249 1.0146 0.9980 1.2610 0.7909 0.8107 2-hydroxydecanoate 0.5092 1.0866 0.7617 0.8262 1.0713 1.1812 1.3577 1.9037 1.1804 1.0512 0.7096 0.7567 1.0714 0.3460 0.6981 0.4087 0.6783 0.6185 1.0357 1.0984 1.0749 1.4124 0.9101 1.2642 0.9411 0.9130 0.8852 0.9044 0.9760 1.0012 1.0000 1.0826 1.2649 2-hydroxyglutarate 1.0474 1.8382 0.9575 0.8891 1.0475 0.9389 1.0517 1.2098 0.8044 1.0000 1.0199 0.9471 0.8504 0.8919 1.3783 0.8517 0.8106 0.9768 1.0156 0.7956 0.8541 1.2223 1.2064 1.0450 0.9454 0.9402 1.3176 1.2529 0.8603 1.2334 1.0420 1.1120 0.8056 2-hydroxyheptanoate* 0.8706 0.8645 1.0596 1.1832 0.4999 1.0758 2.2331 1.6011 0.7896 1.0587 1.2089 1.0000 1.1360 0.8717 0.8725 0.8379 1.2421 1.1236 0.6763 0.7247 0.7304 1.5743 0.8790 1.3670 1.2964 0.8117 0.9894 1.0273 1.1216 0.7624 0.6591 1.2541 0.8431 2-hydroxyoctanoate 0.5191 0.5191 0.9584 1.0415 0.5191 0.6916 1.3948 1.3830 0.5191 0.5191 0.5191 0.5191 0.7489 0.5191 0.5191 0.5191 0.5191 0.5191 0.5191 0.5191 0.5191 1.7370 2.3016 1.0563 0.5191 0.5191 0.5191 0.9585 0.5191 0.6445 0.5191 0.8533 2.7932 2-linoleoylglycerol (18:2) 1.8018 1.4603 1.0077 0.7555 1.7971 1.2178 0.9206 1.5469 1.7904 1.1652 1.1231 0.7420 1.4331 0.6817 0.6805 0.2429 1.0566 0.7510 0.6464 0.6163 0.5861 0.3049 0.6341 1.0000 0.6184 1.0071 1.4175 0.9484 0.9077 0.7146 1.2954 2.1312 1.6690 2-methylbutyrylcarnitine (C5) 0.6056 1.3801 1.0000 0.5417 1.1442 1.2562 1.1008 1.6409 0.7759 0.2918 0.9862 1.3556 2.4631 0.9180 0.3733 0.6635 1.9557 1.7746 0.5575 1.3685 0.6532 0.4759 0.8839 2.0896 2.0486 1.7172 0.6698 1.1491 0.8450 1.0682 0.6157 1.2624 0.6718 2-methylcitrate/homocitrate 0.4145 0.7221 0.5888 0.4884 0.5527 0.4056 0.5196 0.6897 0.3552 0.4696 1.0355 2.5658 0.9758 1.7896 1.8375 1.1621 2.1393 1.6222 1.6772 1.2602 1.2604 1.0250 2.0023 0.6048 0.9178 0.8959 0.7583 1.0439 1.0000 1.2634 0.7867 1.1121 1.6356 2-methylmalonylcarnitine (C4-DC) 1.0664 0.9932 0.7788 1.2325 0.9795 1.0422 1.0929 1.1198 0.9303 1.1196 0.9797 0.6806 0.7757 1.0000 0.6587 0.7524 0.8914 0.9569 0.9586 1.1738 1.1241 0.7473 1.0026 1.0816 0.8215 0.8754 1.2061 0.8182 1.2488 1.3741 1.0680 1.5035 1.1042 2-myristoylglycerol (14:0) 2.8877 1.7097 1.0000 0.5168 0.9953 1.0797 1.2047 1.8538 0.8950 1.6798 0.8209 0.6849 1.2573 0.5476 1.3114 0.5424 1.9143 0.7716 0.3889 0.7120 0.4146 0.5650 0.6172 1.0025 0.9384 1.5520 1.5692 1.8159 1.1305 0.7980 0.9534 3.3864 1.6582 2-naphthol sulfate 0.7362 1.0160 0.3632 0.3392 0.2566 0.3530 0.1408 0.1745 0.2523 0.1564 0.6160 0.3948 0.3626 1.0301 0.9174 1.2562 2.2164 1.7830 0.6518 1.1106 2.1228 1.3728 1.6266 0.2863 0.2574 1.5685 1.2806 1.1575 1.0000 1.2265 1.6079 1.0152 1.6175 2-O-methylascorbic acid 1.2106 1.4832 0.8456 1.0757 1.2128 1.2266 1.2795 1.0636 1.1379 0.7466 0.7239 1.3495 0.5859 1.0063 1.0703 1.2508 0.8752 0.9723 1.0754 1.0482 0.8806 1.2709 0.9978 1.1470 0.6240 0.8642 0.8601 1.0000 0.7581 0.7926 0.7647 0.5665 0.6688 2-oleoylglycerol (18:1) 1.8599 1.7444 0.8500 0.6269 1.3024 1.1084 0.6914 1.2499 1.1486 1.0000 1.1721 0.8740 1.1343 0.6224 0.9289 0.5434 1.2052 0.7602 0.5037 0.6190 0.4282 0.4436 0.5929 0.8255 0.4789 1.0525 1.5184 1.6323 1.0549 0.6784 1.1625 2.1320 2.2734 2-oxoarginine* 0.3886 0.4248 0.9727 1.1399 0.8444 0.8754 1.0045 0.7975 0.3886 0.8592 0.4655 0.3886 1.9092 1.4277 0.8004 0.3886 0.4883 0.3886 0.9955 0.5887 0.3886 0.3886 1.3169 1.3733 1.3779 2.3647 1.6428 3.2965 1.2778 0.6336 1.1265 1.6138 0.3886 2-palmitoleoylglycerol (16:1)* 6.3218 4.1956 1.1378 0.2087 0.9867 0.8766 0.4761 0.5900 1.4284 1.1191 1.3006 1.0051 1.4713 0.4562 1.2639 0.4541 1.1623 1.1863 0.2087 0.3116 0.4369 0.5985 0.6849 1.2918 0.4785 0.9949 2.2880 1.5814 0.8752 0.6472 0.8733 2.4517 3.0808 2-palmitoyl-GPC* (16:0)* 1.2110 0.8004 1.0132 0.8095 1.2440 1.0530 1.1411 1.0173 1.6371 0.8648 0.7918 1.1547 0.9620 0.9108 1.0000 0.8280 2.7264 1.3679 0.7269 0.7942 0.9579 1.2211 1.0464 0.7845 0.5759 0.9851 1.0721 0.8514 0.7693 0.4462 1.2878 2.0508 1.1891 2-palmitoylglycerol (16:0) 1.6698 1.8555 1.0681 0.6053 1.1650 1.0397 0.7328 1.3613 1.3575 1.0000 0.9701 0.9455 1.1968 0.6389 0.8944 0.4207 1.0524 0.8065 0.7113 0.6947 0.6109 0.5559 0.6181 0.9916 0.6016 1.1191 1.7177 1.6114 1.1300 0.7699 1.0949 2.4533 1.7108 2-stearoyl-GPE (18:0)* 1.5819 0.9182 1.8823 0.7550 1.5414 1.0000 0.8046 1.2829 1.3290 1.1842 0.8176 1.3727 0.7765 1.1056 0.9330 0.8935 2.6528 1.1389 0.7107 0.9574 1.1605 1.1658 0.9654 0.9566 0.5056 0.9563 1.3335 0.6567 0.8951 0.5450 1.3627 2.7053 1.4934 2R,3R-dihydroxybutyrate 0.3972 1.3390 0.5301 0.6364 0.5178 0.5243 0.5365 0.4475 0.5568 0.4617 0.7766 1.0588 1.1447 1.4702 1.4649 1.1408 1.0359 0.7555 1.1369 1.0000 0.8488 0.9046 0.9564 1.2275 0.6633 0.9847 1.3020 1.2744 1.6282 1.0465 1.3604 1.0408 1.0579 2S,3R-dihydroxybutyrate 0.5796 1.8327 0.3235 0.5518 0.3193 0.2901 0.4611 0.5928 0.6353 0.5111 0.8296 1.1357 0.9813 1.4660 1.8781 1.5353 1.3363 1.2945 0.8041 0.4127 0.8211 0.9250 1.1271 1.3334 0.4302 1.2918 1.4144 1.0000 1.0831 1.0365 1.1425 1.0282 1.0792 3'-dephospho-acetyl-CoA 0.7097 1.3829 1.0613 0.9924 1.0076 1.0130 1.0720 0.6152 1.1153 1.1209 0.8800 0.4822 0.1728 0.2701 0.2218 0.1728 0.2486 1.0984 1.1607 0.6331 1.0212 0.8990 1.2482 0.6278 0.3795 1.1257 0.8969 0.9759 1.5268 1.2839 1.2909 0.9654 1.4156 3'-dephospho-CoA-glutathione* 0.5868 1.2335 0.7747 1.0290 0.7621 0.5712 0.5284 0.5246 0.6345 0.7910 1.0150 1.0240 0.4296 0.7798 1.0000 0.9490 1.2548 1.2529 1.0021 0.3990 1.2025 1.0024 1.2286 0.6684 0.5047 1.0127 0.8850 1.1287 1.0143 1.3291 1.1619 1.2066 0.6955 3'-dephosphocoenzyme A 0.3081 3.5346 0.9621 0.3081 1.5815 0.3081 0.5173 0.3081 0.3081 0.7546 2.5994 5.3184 5.3881 0.3081 0.7483 0.3081 0.3999 2.4770 1.7972 1.8303 1.0000 0.3081 1.5253 0.3081 6.3794 0.5708 0.3081 0.3494 0.7660 2.4357 0.3081 0.4553 0.8587 3,4-dihydroxybutyrate 0.8332 1.6335 0.8245 0.7022 0.7534 0.7056 0.6628 0.6123 0.5646 0.7847 0.7169 1.3728 1.2833 1.3347 1.0620 1.4169 1.0879 0.9925 1.2266 1.5574 1.0156 1.1019 0.9939 1.3999 0.9564 1.0273 0.8972 1.8232 1.3560 0.9813 1.1453 1.0000 0.9505 3-(3-hydroxyphenyl)propionate sulfate 1.5844 0.8812 0.3746 0.3009 0.1727 0.1727 0.1727 0.1727 0.1727 0.1727 0.4012 0.1727 0.1727 1.1825 0.1727 0.1727 0.1727 0.1727 0.2713 0.2303 0.6942 0.8091 1.2854 0.1727 1.0000 1.9150 3.8914 3.0667 1.6787 1.6289 2.5686 0.6916 1.5660 3-(4-hydroxyphenyl)lactate (HPLA) 1.0419 3.6615 0.9554 0.8628 1.1327 0.8216 0.9462 1.0000 0.8927 0.7036 1.3598 1.4995 1.2208 1.2698 1.4852 0.8774 1.1589 0.8378 1.2631 0.9243 0.7949 0.9738 1.8339 1.0843 1.0192 0.9405 1.1740 1.2096 0.8799 0.9865 0.9829 1.1287 0.8611 3-amino-2-piperidone 0.4771 1.3655 0.8671 0.4771 0.5242 0.5067 0.8275 0.8600 0.7180 0.4771 0.4771 2.4603 2.3156 1.4675 2.0516 1.1714 0.9917 0.7270 1.7881 1.3145 1.2145 1.3234 1.7426 0.4771 1.2553 0.8195 1.0083 1.2714 0.9580 0.4771 0.8842 0.7613 0.9402 3-formylindole 1.2019 1.0169 1.1533 0.7407 1.1767 1.1897 1.2234 1.0991 0.9017 1.0593 1.1006 0.7424 1.0370 0.8284 0.8501 0.9484 0.5646 0.9194 1.2418 0.9149 0.8163 0.9167 0.9397 1.2221 1.1408 0.7711 0.9323 1.0000 1.0068 0.9792 1.3227 1.1103 0.9222 3-hydroxy-2-ethylpropionate 0.8009 1.7400 0.5628 0.6978 0.7091 1.3043 0.7606 0.7499 0.7282 0.5628 0.6413 1.7171 1.3594 1.0097 1.2866 1.6288 1.4065 1.0897 0.6554 0.9585 0.8852 1.2009 0.9903 1.1720 1.2565 0.9408 1.0363 1.4692 1.0128 0.7711 1.0547 0.9336 0.8118 3-hydroxy-3-methylglutarate 0.9469 0.7561 0.8292 0.9745 0.8515 0.7599 0.7023 0.7511 0.7235 0.6508 1.1844 1.3900 1.5011 0.9879 2.0514 1.4637 1.3448 1.3667 0.9132 1.5087 1.2787 1.8901 1.1334 1.2766 0.6678 1.0697 1.2131 1.0024 1.0000 0.7691 1.3509 0.7935 0.8416 3-hydroxyadipate 0.6991 0.8428 0.8521 0.3937 0.3937 0.3937 0.3937 0.3937 0.3937 0.4843 1.1306 2.9233 1.4492 1.7470 2.1803 0.9799 1.3216 1.5905 0.9380 0.6672 0.3937 0.8763 0.9553 2.3292 1.6381 0.8580 1.5055 1.1765 1.3800 0.7631 1.0201 0.9570 0.3937 3-hydroxybutyrate (BHBA) 0.2017 0.8477 1.6662 0.3223 0.3100 0.8020 0.5222 0.3031 0.3492 0.4479 1.1088 2.5179 2.7609 1.0000 1.2014 1.1847 0.6531 1.9378 1.2855 1.0950 1.4272 0.3081 0.7471 3.1015 2.7241 1.8772 1.4856 1.2168 1.8729 0.3348 0.9910 0.4586 0.7132 3-hydroxydecanoylcarnitine 1.1091 0.5622 0.2905 1.0241 2.5521 4.1231 3.3441 1.5497 1.5706 1.0000 1.2275 0.2668 5.1266 0.5436 0.7899 0.5038 0.4214 1.0753 1.1131 1.8239 0.3614 0.7139 0.5699 4.5047 2.5175 2.0256 0.9171 0.9122 1.1021 0.8917 0.8350 0.9063 0.8977 3-hydroxyhexanoate 0.7211 2.0283 2.0025 0.4742 0.8193 0.7965 1.1047 0.9173 0.5936 0.4751 1.4446 1.6046 1.6729 0.9785 0.9937 1.0000 0.8471 1.6527 1.6395 0.7553 1.2002 0.6890 1.1870 3.9453 1.2427 2.0486 1.0433 1.4511 1.7557 0.5467 0.8013 0.8015 0.9734 3-hydroxyhexanoylcarnitine (1) 0.4573 1.6124 1.4809 0.4385 1.0000 1.3442 0.9081 0.7234 0.6651 0.4141 1.7095 0.4677 2.9931 0.5396 0.3149 0.5081 0.3586 1.6337 1.4483 0.9390 1.3728 0.3733 0.7134 2.0614 1.6013 2.2099 1.3834 1.2147 2.6793 0.9356 1.3008 0.9782 1.2733 3-hydroxyhexanoylcarnitine (2) 0.5075 1.4143 1.2695 0.5160 0.5075 0.5075 0.8486 0.6909 0.6082 0.5075 0.5075 0.8930 2.3025 0.9813 0.9320 0.7397 1.0486 1.8512 1.0187 0.9750 0.5075 0.8680 0.5075 2.4339 1.8760 2.0810 1.5535 1.8387 0.5075 1.3821 0.5075 0.7963 0.5075 3-hydroxyisobutyrate 0.4496 1.3947 0.7677 0.3552 0.3695 0.6761 0.4827 0.3879 0.4045 0.4566 1.1827 3.3822 2.4774 1.2322 1.8795 1.0592 2.0696 1.7988 1.2796 1.1408 1.0225 0.5526 0.9100 3.1842 1.6467 0.8756 1.6578 1.0000 1.2119 0.5396 0.7459 0.4960 0.6634 3-hydroxylaurate 0.6735 0.5501 0.3918 0.7285 0.7807 1.5079 1.0314 0.8717 0.7522 0.4039 1.3523 0.8292 1.1686 1.1208 1.0514 1.0993 1.0000 0.8537 1.7322 1.0824 1.1501 0.6812 0.6216 2.9797 1.2089 1.8388 1.6337 0.9407 1.7281 0.6588 0.7877 0.6964 1.3209 3-hydroxymyristate 0.8706 0.6687 0.4269 0.6481 1.0834 1.4078 0.8976 0.7141 0.9737 0.6284 0.8882 0.7156 0.9719 1.1026 1.2882 0.9270 1.1920 1.0752 1.2422 1.0400 1.0000 0.5390 0.4728 2.1581 1.0431 1.4040 1.2603 0.7911 1.3261 0.5017 1.0036 1.1648 1.2031 3-hydroxyoctanoate 0.9273 1.1767 1.0000 0.5689 0.9647 0.8316 1.4190 0.9064 0.6898 0.5200 1.1443 0.9910 1.5753 0.8356 1.0992 0.8036 1.1290 1.3407 1.2688 0.7072 0.9388 1.0324 1.8231 2.3539 1.1099 1.9711 0.9151 1.0373 1.3414 0.6882 0.6717 0.8610 1.0109 3-hydroxyoctanoylcarnitine (1) 0.8762 0.6430 0.4383 0.5720 1.6911 3.2259 2.1171 1.4239 1.3117 0.8403 1.3156 0.3211 4.3798 0.5282 0.4916 0.6197 0.4479 1.1292 1.3392 2.2237 0.7292 0.5964 0.5217 4.1471 2.0342 3.1119 1.0815 0.8429 2.0371 0.9964 0.8003 1.0000 1.0297 3-hydroxyoctanoylcarnitine (2) 0.9273 0.7952 0.6282 0.8216 1.5456 1.6742 1.5438 1.4775 0.9790 0.4651 1.3082 0.3861 3.3635 0.8093 0.6455 0.8141 0.7210 1.5748 0.9121 1.3734 0.5741 0.5238 0.6647 3.5706 2.2894 2.4671 1.5074 1.1880 1.5601 1.1038 0.6557 1.0765 1.0000 3-hydroxyoleate* 0.8773 1.0320 0.4893 0.6186 1.8004 1.6543 1.1409 0.9236 1.4494 0.7207 0.6746 0.7611 1.3445 1.1329 0.9268 0.6727 1.6024 1.1313 1.0986 1.3401 0.7286 0.5723 0.5796 1.8869 0.7125 1.4053 1.0559 0.6606 1.0000 0.4034 0.7378 1.2169 1.3609 3-hydroxyoleoylcarnitine 0.6869 0.4122 0.1485 0.6384 3.4636 3.4782 3.3728 1.5105 2.4791 0.5699 1.1511 0.2707 6.3514 0.4219 0.4762 0.5312 0.4072 1.0526 2.0593 3.5960 0.3777 0.3611 0.4064 5.4408 3.3844 3.0260 0.8682 1.1714 1.0920 1.0000 1.0516 0.7467 0.7026 3-hydroxypalmitoylcarnitine 0.7401 0.4901 0.2163 0.7806 3.7046 3.8885 4.0789 1.5568 2.7295 0.6663 1.1486 0.3851 6.2322 0.6063 0.6976 0.6874 0.5503 1.3480 1.7840 3.6734 0.4122 0.5277 0.5135 5.8839 3.1538 3.1674 0.9460 1.1937 1.0000 1.2348 1.1677 0.9076 0.6349 3-indoxyl sulfate 0.9666 0.7870 0.8834 0.7758 0.5606 1.0537 0.9753 1.0000 0.8082 0.8215 0.6724 0.6449 1.3586 1.1232 0.7245 0.5774 0.4190 1.1603 1.1543 1.5135 0.9335 1.0093 1.2890 0.9237 0.9727 1.3763 1.0948 1.6416 1.2565 1.2630 2.3032 1.0417 1.0029 3-methoxytyrosine 0.6016 0.7334 0.7828 0.8640 1.0000 0.7741 1.0662 0.9645 0.8815 0.6177 0.8920 1.2609 1.6901 1.1864 0.9193 0.8908 0.7402 0.9295 1.1422 0.9559 0.9596 0.7026 1.2261 1.1497 1.2807 1.3400 1.5768 2.0493 1.9589 1.4279 1.1357 1.4255 1.2985 3-methylglutaconate 0.8515 1.3554 1.6345 0.9901 1.1352 0.9126 0.9293 0.8004 0.7817 1.2161 1.0607 1.5267 0.9904 1.0615 2.1851 1.7121 2.2284 1.1452 1.3139 1.2207 1.0307 0.8152 1.7016 0.8227 0.9304 1.0096 0.9798 0.9614 0.9650 0.7817 0.8348 0.8515 0.9824 3-methylhistidine 1.1569 0.6323 0.8344 1.2420 1.1037 1.3661 1.0000 1.0532 1.1037 1.0507 0.7278 0.7986 1.2606 0.7914 0.7460 1.1249 0.7149 0.9536 1.1650 1.5200 0.9146 0.9107 0.9983 1.1278 1.0963 0.7163 0.7720 0.9103 1.0935 0.8828 1.1018 0.9000 1.3997 3-phenylpropionate (hydrocinnamate) 0.9311 1.2711 2.1913 1.2432 1.1752 2.0459 2.2950 2.0303 1.7890 1.0679 1.0073 0.1501 0.3383 0.3042 0.3031 0.2721 0.1303 0.1303 0.9496 0.9927 0.6389 1.0273 0.8008 0.7822 2.5738 0.5095 0.5333 0.1692 0.6828 1.1566 2.0302 1.0792 2.0775 3-phosphoglycerate 1.5182 0.6906 0.3722 1.9860 1.1963 1.4238 2.2180 1.0894 1.9021 1.3718 0.6585 0.2518 0.8280 0.4972 1.0441 1.3541 0.9511 0.7209 0.7455 1.3700 0.9558 1.3331 1.2901 0.6673 0.6914 0.9187 0.8234 0.8489 1.0249 1.1494 1.7098 1.0000 0.4258 3-ureidopropionate 1.1233 14.7706 1.3377 0.8814 0.4219 0.7248 0.4445 0.5312 0.9639 0.2754 1.1487 11.3630 1.1730 2.0234 6.3057 1.0000 6.8750 0.9501 1.2838 1.7071 0.6306 1.0047 1.4119 0.8227 1.0058 0.9873 1.1119 1.0144 0.7684 0.6843 0.5859 0.6942 0.9699 4-acetylphenyl sulfate 0.4466 0.8776 1.0000 1.2525 1.6437 1.0216 0.4466 1.4324 0.8122 1.9305 0.8488 0.4466 0.4466 2.2447 0.4466 0.4466 0.4466 0.4466 0.4466 0.6737 0.6564 1.3100 2.2482 0.4466 0.4466 0.4466 0.4466 0.8127 0.5480 0.4952 1.6613 0.4466 0.4466 4-chlorobenzoic acid 1.1347 0.8479 0.9451 0.9872 1.0389 1.0305 1.0274 1.1170 0.9829 0.9501 1.0138 0.8858 1.1861 0.9521 0.9746 1.3649 1.0721 0.8668 0.9300 1.0689 1.0090 1.0440 0.9732 1.0657 1.1225 0.9840 1.0000 1.0779 0.9696 0.9525 0.9968 1.0695 0.9945 4-cholesten-3-one 1.1999 1.3308 0.9051 1.1509 1.0858 0.5244 0.6983 0.9740 1.0345 0.1968 0.7435 0.7707 0.9859 0.9133 1.0590 0.5850 1.0000 0.6395 0.9411 0.9618 1.0760 0.8719 0.7883 0.7596 1.1095 1.1963 1.0632 1.0742 1.1082 1.2578 1.1825 1.1754 1.1935 4-ethylphenol glucuronide 1.5914 1.5844 1.8588 1.5531 1.3104 1.5908 1.2923 1.0000 1.0467 1.3887 1.8760 0.5747 0.8190 0.8204 0.6060 0.4035 0.2297 0.3992 1.3646 1.2456 1.1544 1.5284 1.7092 0.3960 0.6724 0.8596 0.7034 0.5801 0.4634 0.8430 1.4332 0.5693 0.8757 4-ethylphenyl sulfate 2.3343 1.5124 2.2864 1.8091 2.3859 2.3420 1.9026 1.9309 1.4385 1.6116 2.1842 0.3056 0.2267 0.4473 0.2647 0.3505 0.0975 0.2778 1.3280 2.1407 1.0000 1.4561 1.0806 0.2623 0.4291 0.8118 0.3641 0.3142 0.3995 0.5804 1.1475 0.4456 0.5411 4-guanidinobutanoate 2.1592 3.0736 2.2811 2.0195 1.9157 1.9283 1.2858 1.7047 2.0036 3.3725 1.8467 0.4592 0.9225 0.8035 0.3360 0.3923 0.3497 0.5831 1.2583 1.0414 0.6978 0.6965 0.6979 0.5597 0.5465 0.8118 1.1354 1.0063 1.0000 0.8444 0.7105 1.2781 0.9733 4-hydroxy-nonenal-glutathione 0.7725 1.0137 0.9238 0.8596 1.2525 1.1674 0.6641 1.1629 0.7424 1.1765 1.1574 1.7405 1.0000 0.7535 0.9523 0.4704 0.5354 1.4365 0.7160 0.6104 1.2635 1.0746 1.2396 1.1819 0.9729 1.0453 0.7527 0.4683 1.4564 1.0577 0.6647 1.3949 0.9794 4-hydroxybutyrate (GHB) 1.5132 3.4136 0.7924 0.3672 1.2922 2.1051 0.8634 1.0000 1.2569 0.8307 0.8645 2.6977 3.0228 0.6420 0.6309 0.4473 0.5153 1.5689 0.7128 2.5893 0.4500 0.7786 2.1591 1.4973 2.0452 1.3462 0.9398 0.5739 0.4448 1.9398 1.5263 1.3168 0.3478 4-hydroxyglutamate 0.8128 1.1852 2.0153 1.0974 0.9249 1.0000 0.9264 1.2213 0.9016 0.9946 1.4049 0.8467 1.7150 0.3187 0.2688 3.3719 0.5685 0.3951 0.3571 1.1076 1.7600 3.3201 1.7447 0.3554 1.1205 0.4548 2.8174 1.4778 0.4073 0.3444 0.4934 1.2178 1.4533 4-imidazoleacetate 2.1540 3.1104 1.5709 1.7803 1.9068 0.8523 1.3583 1.3065 0.9000 1.3648 0.8910 0.7295 0.4667 0.8208 1.0218 0.6715 0.9128 0.5023 1.3891 1.0749 1.3251 1.4414 1.0000 0.8652 0.8430 0.7622 0.8694 1.1170 0.9062 0.9719 0.7674 1.3947 1.3174 4-methylcatechol sulfate 1.3043 2.4518 0.9581 0.9113 1.1868 1.6141 2.2068 2.0607 1.2987 1.4555 1.4082 0.4486 0.8173 1.3737 1.9178 0.8438 0.8882 0.9067 0.5352 1.3674 0.5969 0.6347 1.0000 0.7247 1.1338 1.4995 0.9434 1.6932 0.4480 0.7772 2.9690 0.5313 0.7678 4-vinylphenol sulfate 0.9532 0.7089 1.0468 1.3227 1.4766 1.0847 1.2913 1.3517 0.4019 1.3949 1.1545 1.0963 0.4019 0.4019 0.4019 0.4019 0.4019 0.4019 1.5003 0.8673 0.7713 0.9043 0.7917 0.5495 0.6508 0.8225 0.4019 1.1752 0.9422 0.8749 2.0018 0.5557 1.6923 5,6-dihydrouridine 0.8758 1.1855 0.9921 0.9844 0.8801 0.8905 0.8281 0.5671 0.8712 0.8956 0.7055 1.1277 1.2405 1.2727 1.0298 1.1857 0.7847 1.1110 1.3132 1.0222 1.0419 1.0831 0.8814 0.8695 1.1200 0.7038 0.9876 1.0000 1.1130 1.0264 1.0641 0.8047 1.0319 5-(galactosylhydroxy)-L-lysine 0.6858 0.6701 0.6800 0.7666 0.7405 0.7144 0.6614 0.6838 0.7798 0.6129 0.7729 2.8276 0.5250 1.9698 2.7693 2.2825 2.1409 1.8070 1.7882 1.4786 2.0180 2.2432 2.0390 0.7125 0.7105 1.0000 1.1979 0.9952 1.2215 1.1379 1.1812 0.7993 1.2049 5-aminovalerate 0.7172 1.0756 0.6525 1.0383 1.1604 0.6845 0.8301 0.6913 0.7339 1.0710 1.5989 0.5877 0.6186 0.9317 0.7130 1.0000 0.5553 0.8855 1.1404 1.5551 1.0845 0.8801 1.8364 0.8940 1.3287 1.2134 1.1309 1.9488 2.7388 1.1397 0.9437 1.6870 0.8624 5-dodecenoate (12:1n7) 0.9696 0.9713 1.0871 1.0956 0.5356 1.0834 0.4894 1.8159 0.7966 1.0917 1.3924 0.6732 0.7008 1.6699 0.6486 1.0000 1.2312 1.0757 0.9606 1.9433 0.7535 0.3425 0.5962 3.4271 1.8094 1.3772 1.2144 0.6988 1.6634 0.6927 0.8601 1.2378 0.9740 5-dodecenoylcarnitine (C12:1) 0.6115 0.2028 0.1633 0.8852 1.5847 2.6926 2.5098 1.2546 2.1977 0.8527 1.0487 0.1684 2.4453 0.2889 0.5620 0.6508 0.6745 1.1402 1.0000 1.9672 0.4349 0.4699 0.7355 5.6345 1.7931 1.8899 1.0361 1.2984 0.9398 0.9498 1.0977 1.2905 0.5231 5-hydroxyindoleacetate 2.8020 1.3569 0.4906 2.6343 0.6619 1.1420 1.0620 0.8294 0.6980 1.0000 1.1198 0.9180 0.4906 1.9598 0.7098 0.4906 0.4906 0.5204 0.8475 0.4906 1.3876 1.8364 0.8678 0.8879 0.4906 0.4906 0.6742 0.5362 1.2374 1.0576 1.4527 0.7118 2.5815 5-hydroxylysine 1.4652 0.8413 0.7782 1.0606 1.0085 0.8762 0.8229 1.0158 1.0865 0.9576 0.6529 1.0524 1.0940 1.0221 0.6509 1.0416 0.8394 1.3888 0.7133 0.6762 0.8856 1.0681 1.1251 1.1515 1.0000 1.1560 0.8389 0.8197 0.8219 1.0314 1.1536 0.8742 0.9295 5-methyl-2'-deoxycytidine 0.8342 0.8983 1.0180 1.1762 1.3071 1.1252 0.8042 0.8809 1.0715 1.1806 1.0159 1.5150 1.3154 1.0008 1.2270 1.0130 1.3907 0.7182 1.4379 1.1531 0.8327 1.0565 1.0000 0.7572 0.9585 0.7275 0.7164 0.9424 0.7924 0.8119 0.8416 0.6965 0.6487 5-methylcytidine 1.0554 1.0125 0.9635 0.9900 0.8841 1.0187 0.9720 0.8185 0.9501 0.8388 0.9634 1.1279 0.9219 1.2001 1.1249 1.0149 1.0194 1.2043 1.0384 1.0000 0.9676 1.1436 1.0640 1.1213 0.9674 1.0481 1.0497 1.0184 0.9590 0.8633 0.8238 0.8545 0.9034 5-methylthioadenosine (MTA) 1.1869 0.7601 0.8777 0.7301 0.9876 0.8310 0.8319 1.0036 0.8606 0.7506 1.1053 1.2293 0.9660 1.2892 1.2101 1.3336 1.3940 1.2219 1.0205 1.0000 0.9199 0.9829 1.0794 1.0735 0.9540 0.9973 1.0944 1.3020 0.9349 0.9302 0.9191 1.2463 1.1698 5-methyluridine (ribothymidine) 1.2298 2.8476 1.4699 0.5836 0.6317 0.6441 0.3827 0.5047 0.4259 0.5335 1.8476 9.6717 1.5111 2.5472 3.3531 1.7007 1.7485 1.8416 1.3016 1.2444 0.9941 1.1862 0.9495 0.9654 0.7476 1.0000 1.0153 2.0181 0.9613 0.4546 0.6673 0.6413 0.9017 5-oxoproline 1.1840 0.8233 1.0603 1.1913 1.0987 0.8838 0.9477 1.2579 0.9644 0.9127 1.1561 0.9302 1.0395 0.8687 0.7464 1.1891 1.1270 0.7316 0.7403 0.7581 0.6997 0.6936 0.8000 1.4613 1.0776 1.1454 1.0675 1.0088 1.0311 0.8908 1.0000 1.5294 0.9035 6-phosphogluconate 1.4691 0.8842 0.3225 1.2329 1.2609 0.8519 1.3717 1.0426 0.6978 0.8218 0.8774 0.4428 0.8241 1.6108 1.3732 1.3794 1.1837 1.0510 1.3295 1.0731 1.0000 1.2896 1.3960 0.4420 0.8534 0.7494 1.1060 0.8944 0.8916 0.9508 0.9963 0.7145 1.2870 7-HOCA 0.7568 0.3761 0.3761 0.6602 0.4438 1.0269 1.0669 0.3761 0.4323 0.7148 1.2811 0.3761 8.8751 0.3761 0.3761 0.3761 0.3761 0.3761 0.5964 0.3927 0.3761 0.7794 0.9182 4.9442 4.7172 1.4918 1.7977 1.2462 2.2060 0.6699 1.7998 2.0151 0.9731 7-ketodeoxycholate 0.1470 0.1470 0.6628 0.1812 0.3070 0.6262 0.1470 0.8876 0.1470 0.1470 0.1470 0.6663 57.2844 0.4826 0.1470 0.1988 0.1470 1.0265 0.9735 0.1470 0.6850 0.1470 3.3515 1.5706 1.8298 1.7088 0.8146 1.1920 7.0672 3.0873 2.6553 9.5134 9.7163 7-methylguanine 0.5449 0.9838 0.5449 0.5449 0.5449 0.5449 0.5449 0.6519 0.5449 0.5791 0.7076 1.2426 0.5449 1.7144 1.4057 1.0501 1.1797 1.0607 1.1184 0.5449 0.5449 1.0000 1.2141 0.5449 0.5449 0.8086 0.7408 1.5078 0.8401 0.5449 0.5449 0.5449 0.6679 acetyl-CoA 0.7140 1.0816 0.5737 1.8681 1.0343 1.4501 2.0001 0.6649 1.8096 1.3549 0.7481 0.4161 1.0794 0.2185 0.4265 0.1368 0.3449 1.1060 1.1714 0.8401 0.8987 0.8751 1.3130 0.8843 0.6550 1.0822 0.8849 1.1724 1.4817 1.3107 1.8695 0.9157 1.0000 acetylcarnitine (C2) 1.2736 0.5808 0.9554 1.0594 1.2873 1.4767 1.4586 1.3300 1.4805 1.2360 0.9203 0.2782 1.7351 0.4792 0.2677 0.4439 0.3089 0.6556 0.7181 1.3059 0.6837 0.6540 0.8834 1.3317 1.4354 0.8203 1.0000 0.6681 1.0588 0.9364 1.0151 1.4988 1.1498 acetylcholine 1.0197 0.2625 2.4483 0.6137 0.2625 0.2625 0.2625 1.3280 1.0362 0.7373 0.6156 0.8108 1.5132 1.2232 0.5608 1.0435 0.7696 0.9111 1.2671 1.5195 0.3097 1.9623 0.9990 1.2413 0.6605 0.8757 2.2978 0.5932 0.4219 1.0010 0.9210 1.3932 1.9403 acetylphosphate 1.1725 1.0379 0.3479 1.2210 1.0000 1.0809 1.0914 1.0162 1.1824 1.0906 0.6602 0.4122 0.5959 0.7906 0.7814 0.8305 0.9870 0.9855 1.0793 1.1948 0.8580 1.0616 1.0498 0.5312 0.9018 0.7874 1.0748 0.5857 0.9498 1.1746 1.0763 1.0494 0.8406 acisoga 1.2437 1.3512 0.4173 0.7436 0.5805 0.6730 0.6557 0.8235 0.8413 0.6785 0.5802 2.7190 1.0785 1.4894 3.1208 1.8564 3.8192 1.3643 1.3084 0.5706 0.9163 1.1490 1.5870 1.0776 1.0000 1.4424 0.9932 1.7391 0.7503 0.9258 0.9814 0.8037 1.1280 aconitate [cis or trans] 0.5598 0.5414 1.0190 1.6633 0.7076 1.5669 1.0000 0.5333 0.9867 1.1934 0.8246 0.7764 1.1623 0.8746 1.6919 1.4996 1.2411 1.5655 0.9072 0.9611 0.9578 1.1469 0.9850 1.2683 0.7418 1.1207 1.1964 1.4477 1.2531 0.9157 1.2045 0.6778 0.8165 adenine 1.0294 1.1072 2.0889 1.0240 1.3723 1.0822 1.2862 0.9841 1.4990 1.0209 1.5211 1.4954 1.4435 0.6702 0.6039 0.5866 0.7704 1.0000 0.8520 0.9800 0.8862 0.8012 0.7706 1.2174 1.6043 1.2534 0.9102 0.8923 0.9142 1.0969 0.9870 0.9220 0.8309 adenosine 1.0651 1.0356 0.9488 1.5165 1.0513 1.7127 1.3873 1.2843 1.9218 1.5077 0.8215 0.5325 0.9786 0.5717 0.9342 0.9813 1.1631 0.7498 0.8072 0.6872 0.8078 0.9537 1.0013 1.2100 0.8711 1.3612 0.6953 1.0349 1.0000 1.4317 0.9647 1.2031 0.4824 adenosine 3',5'-cyclic monophosphate (cAMP) 0.9589 0.9463 0.8954 1.2261 1.1395 0.9543 1.0244 1.4007 1.0305 1.2422 1.1671 0.6953 0.9094 0.9145 0.8433 0.7968 0.7971 0.7043 1.0206 1.0043 1.0259 1.0785 1.0192 1.0000 0.9747 1.0251 0.9359 0.8997 1.1714 1.1442 0.9918 1.3153 0.9668 adenosine 3',5'-diphosphate 1.3525 1.2859 1.7393 1.3361 1.6193 1.3375 1.1558 1.4075 1.1354 1.3370 1.3336 0.5513 0.6254 0.9126 0.7164 0.5952 0.7650 0.4149 0.9240 0.7992 0.8483 0.5095 0.6043 1.0000 0.7862 1.2019 1.4882 0.8222 1.2736 0.9578 0.9405 1.1977 1.6386 3'-AMP 1.5574 1.4401 2.0781 1.1996 1.4900 1.0874 0.9509 1.3567 0.9848 1.1424 1.2082 0.8361 0.5866 1.1131 0.7552 0.5735 0.6516 0.3830 0.8969 0.9253 1.0172 1.1656 0.4903 1.0632 0.7081 1.0000 1.5787 0.6780 0.9552 1.0052 0.7907 0.9264 1.4554 ADP 1.0987 0.9016 0.5477 1.1455 1.2956 1.3014 1.2799 1.1105 1.1938 1.3696 0.9943 0.5268 1.2160 0.6388 0.9494 0.8693 1.7044 0.8646 0.7153 0.8555 0.8318 0.8405 1.0914 1.0479 1.0000 1.0543 0.8131 1.0899 0.8837 1.1463 1.2158 0.7189 0.6895 adenosine 5'-diphosphoribose (ADP-ribose) 0.6997 1.3206 0.8799 0.9950 1.2346 1.2572 1.0700 0.7998 0.9929 1.0841 0.9827 0.5620 1.9543 0.6877 0.7061 0.5583 0.5917 1.0976 0.8958 1.2199 0.8920 0.9039 1.2347 1.0000 2.0456 1.0460 1.0438 0.8838 1.1636 1.2953 1.1859 0.8940 1.2217 AMP 0.4016 0.8485 0.5003 1.1763 0.9909 0.9634 1.1764 0.7136 1.3641 0.9358 1.0000 0.3216 1.4374 0.4211 0.9129 0.9378 1.0847 0.9726 0.7926 1.2941 1.0165 0.6856 1.3451 1.6558 1.2121 1.0630 0.6982 1.1885 1.1366 1.2055 1.3911 1.0303 0.3407 adenylosuccinate 0.5948 1.5247 0.9622 1.2189 1.0000 1.2939 0.9444 0.5512 0.6601 1.0351 1.8455 0.5455 1.2287 1.4606 2.1143 0.8304 1.3933 1.1750 0.7378 0.7532 1.0230 0.6033 1.0589 1.1666 0.7527 1.0337 1.0235 1.1635 0.9071 0.8780 0.7201 0.4940 0.6066 adrenate (22:4n6) 0.8610 0.9568 0.3233 0.3561 0.9786 0.8618 1.1536 1.0614 1.3169 0.7746 0.8186 1.6932 0.9582 1.1693 1.3360 0.9461 2.2440 1.0792 0.6374 0.3984 1.0000 0.8684 0.8559 1.2390 0.5047 0.9815 1.8406 1.0946 1.3746 1.0771 1.8314 6.5418 2.1431 adrenoylcarnitine (C22:4)* 0.2801 0.1092 0.1430 0.4082 4.1453 2.9601 7.0373 1.9642 3.9260 0.4438 0.3673 0.4436 3.7041 0.2347 0.4638 0.4646 0.6049 1.0105 1.0000 2.2123 0.3547 0.4705 0.5868 2.6150 1.2727 2.0150 0.5519 1.7924 2.3695 4.2960 1.2328 2.6445 0.5193 AICA ribonucleotide 0.5614 0.5191 0.5191 0.8227 0.7049 0.7551 0.5916 0.8154 0.5191 0.8884 0.5191 2.5038 0.5191 0.5191 1.7516 0.5191 3.9847 0.5191 0.5191 0.5191 1.2806 0.5191 2.5812 0.6310 0.9843 0.5191 0.9087 1.0157 1.6795 2.2434 1.5338 1.2137 1.7955 alanine 0.8137 1.3180 1.2896 0.7808 0.8595 0.7970 0.7572 0.7826 0.7675 0.7873 1.4233 1.6448 1.3017 1.4401 1.5174 1.0000 1.2660 1.2856 0.8670 1.0164 0.9910 0.9251 1.0820 1.1370 0.9563 1.2586 1.1724 1.3902 0.8877 0.9206 0.9122 0.8188 1.0059 alanylleucine 1.1204 1.9828 1.3265 0.6339 1.0460 1.0033 0.9096 0.6339 1.0512 0.6339 0.6339 0.7920 1.0044 0.6339 1.0054 0.6982 0.6339 1.5890 1.4004 0.8602 0.7359 1.2730 0.9571 0.9967 0.6339 0.6339 0.6339 0.8763 0.6339 0.8853 0.6339 0.8819 0.6339 allantoin 0.9235 1.1979 0.8649 0.8512 0.9096 0.8691 0.8203 0.7574 0.8162 0.8520 0.7594 1.3715 0.9521 1.2212 1.2182 1.1925 1.1551 1.0699 1.2746 0.9673 0.9502 1.0000 1.1393 1.0586 1.0142 0.8577 0.9534 1.1032 1.0249 1.0568 1.1480 1.0512 0.9949 alpha-hydroxyisocaproate 0.5601 7.8190 1.7928 0.6584 0.5601 0.5601 0.5601 0.5601 0.5601 0.5601 2.1635 1.8984 0.5601 0.8319 1.9792 1.1500 1.7004 0.8355 0.8054 0.8296 0.6162 0.5601 1.5556 1.0819 0.7969 0.5601 0.5601 1.5047 0.5818 0.5601 0.9181 0.5601 0.5601 alpha-hydroxyisovalerate 0.6602 3.7881 0.7104 0.5126 0.4323 0.4866 0.3572 0.4889 0.4186 0.5373 1.0006 1.7941 1.3661 1.1519 2.0334 1.2792 2.7446 1.0901 0.9502 0.7706 0.8262 0.8034 1.0278 1.1026 0.9333 0.9243 0.9543 1.4868 1.1327 1.1556 1.1573 1.1006 1.0000 alpha-ketoglutaramate* 0.9528 1.2691 1.1340 1.2245 1.4170 1.5856 1.0218 0.6918 0.9216 1.0407 1.0387 0.7328 0.9986 0.5352 0.7008 0.5808 0.7666 0.6896 0.7839 0.6725 0.6263 0.5184 1.0000 1.1107 1.3457 1.0667 1.4681 0.7966 1.3612 1.0606 1.1391 1.0043 0.9961 alpha-ketoglutarate 0.7488 1.1479 0.9341 1.0980 1.1178 1.0661 1.0028 0.8562 0.8570 1.0860 0.9367 0.8316 1.0297 0.8163 1.0302 0.7243 0.9091 0.7997 0.9339 0.7509 0.8279 0.9349 1.1106 1.0000 0.9165 1.0604 1.0083 0.9259 1.1354 1.2502 1.0917 1.0663 1.0009 alpha-muricholate 0.2251 0.0832 1.0000 0.6728 0.3463 0.7022 1.5045 1.6485 1.4131 0.0832 0.2153 0.8088 12.1133 0.7283 0.7836 0.5987 0.1678 0.5299 1.5887 0.6359 0.8092 0.7339 1.2964 2.2715 0.0832 5.1949 2.5558 3.4095 3.5967 2.2051 1.7858 5.2579 3.9615 alpha-tocopherol 1.4027 1.2944 1.1900 1.1714 1.1905 0.9822 0.6741 0.9981 1.0818 1.1243 1.0424 1.1407 0.4288 0.9650 1.1844 1.0653 1.1639 1.2510 1.0779 0.5762 0.8395 0.8790 0.8902 1.0000 0.5266 1.0166 0.8056 0.9248 0.9214 0.9403 0.7863 0.9919 1.1855 alpha-tocotrienol 1.3772 1.8329 1.3362 0.7991 1.3041 0.8373 0.5572 1.1126 1.1813 0.8440 1.0518 0.7208 0.4880 0.6463 0.6766 0.5851 0.2379 0.7439 1.3599 0.7189 1.0582 0.8223 1.1136 1.3995 0.6864 0.8162 1.0000 0.6133 1.2422 1.1018 1.0463 1.2689 1.1331 anserine 1.8115 1.2987 1.2652 2.1729 1.4903 1.4824 1.3857 1.3482 1.2406 1.4992 1.0176 0.4495 1.2493 0.5962 0.6139 0.4212 0.9029 0.7755 0.6110 0.6458 0.5795 0.4672 0.7012 1.0966 1.0723 0.8504 0.8991 0.8853 0.8250 1.2863 1.0000 0.9789 1.1238 arabitol/xylitol 0.8185 2.4690 1.2959 0.9209 0.8418 0.6590 1.2586 1.5043 1.0000 0.9694 1.0056 1.2250 0.6420 1.4510 0.7162 0.9843 0.4739 1.0132 1.7314 1.2848 1.0296 1.2384 1.2680 0.8804 1.0074 0.6965 0.7305 0.8752 1.0240 0.8483 0.7160 0.7814 1.1725 arabonate/xylonate 1.5162 1.6449 1.0305 1.2664 0.9589 0.8097 0.9733 1.3698 1.0502 1.0135 1.0773 1.0805 0.7880 1.3494 1.4198 0.7548 1.6538 0.9949 1.0724 0.5889 0.8278 1.0980 0.9151 1.2394 0.8660 0.7856 1.3268 1.0000 0.7986 0.9288 0.7663 0.7385 0.7759 arachidate (20:0) 1.2119 0.9145 1.0874 0.8297 1.3634 1.0125 0.9347 1.3155 1.1132 0.9606 1.0745 1.1762 1.0000 0.9274 0.8711 0.7463 1.2645 0.9609 0.8394 0.9262 1.0652 0.9449 0.9974 1.0211 0.7908 1.0008 1.1928 0.8628 0.9093 0.7355 1.1934 1.8275 1.3514 arachidonate (20:4n6) 1.0480 0.9906 1.0534 0.4101 1.0769 0.6851 0.6321 1.1587 1.1685 0.5910 0.7948 1.7136 0.9956 1.0346 1.0000 0.6850 2.3124 1.1630 0.6269 0.6737 0.8498 0.7793 0.7001 1.1259 0.4899 1.0103 1.6603 0.7698 1.0428 0.6662 1.5879 4.8452 1.9757 arachidonoyl CoA 0.2634 0.6644 0.2634 0.7237 0.5167 0.5056 0.7703 0.2634 1.1772 0.6818 0.5267 1.2944 0.2634 0.5057 1.3106 0.9275 1.5046 2.1016 1.1773 0.2634 0.9750 1.4001 1.5342 0.5336 0.2634 1.1614 0.6232 1.0419 1.0250 1.9228 1.6097 1.0891 0.3809 arachidonoyl ethanolamide 2.1799 1.7880 1.9507 1.3201 1.6925 1.6321 0.7189 1.4876 0.6961 1.3472 1.1377 1.8303 0.8081 0.9193 1.2228 0.8336 0.8613 1.0738 1.1123 0.4147 0.9361 0.8807 0.9662 1.4647 0.6961 0.8399 0.8953 0.8071 1.0000 1.2142 1.1720 0.7803 0.8309 arachidonoylcarnitine (C20:4) 0.8925 0.8994 0.6223 0.9600 1.5750 1.0247 1.4103 1.1603 1.4274 1.1610 1.0413 0.5724 1.0854 0.6940 0.5735 0.5051 0.8501 1.0065 0.8531 0.7606 0.6689 0.6934 0.9157 1.1973 1.1218 1.2817 0.9985 1.0000 1.0793 1.9832 1.2005 1.7370 0.7988 arachidoylcarnitine (C20)* 0.2068 0.1866 0.2311 0.4587 2.4263 1.4795 1.8317 1.5093 2.1207 0.3792 1.0000 0.7574 5.7420 0.2949 0.2133 0.2793 0.3247 1.0122 1.1960 2.6287 0.5431 0.4200 0.4875 3.6359 2.0617 3.8131 0.7595 1.8981 1.1686 1.4313 0.9953 1.2296 0.8940 arginine 1.0000 0.6812 1.0265 1.0624 1.3542 1.2064 1.4256 1.2631 1.2240 1.0741 0.8887 0.6968 1.2773 0.9292 0.5966 0.6425 0.6174 0.8594 0.8579 0.8112 0.9706 0.7337 0.9128 1.4332 1.4389 1.4776 1.1535 0.7390 0.9620 0.9136 1.1935 1.4196 1.0133 argininosuccinate 0.4212 0.9910 2.0407 0.7721 0.8365 0.8935 0.7152 0.6995 0.6620 0.6372 1.9375 1.9159 2.2831 2.8469 1.5455 1.1692 0.9719 1.1628 0.9148 0.7516 1.0151 0.7965 0.9495 2.2461 1.3663 1.4687 1.9860 1.1278 1.0146 0.7375 0.9709 1.0000 1.2740 ascorbate (Vitamin C) 1.6723 0.8317 0.4720 0.3090 0.0120 0.1147 0.0120 0.0120 0.2862 0.3171 0.4489 8.6757 0.0120 2.8041 4.1767 1.3991 2.3016 3.2763 2.4792 0.2506 3.6913 4.0940 2.0864 0.0120 0.0120 0.5213 0.6333 1.0000 0.8252 1.6391 0.3819 0.0120 1.5969 ascorbic acid 3-sulfate* 2.1053 2.8124 1.2575 0.8091 0.7654 0.8581 0.9616 0.8271 0.6791 0.9904 1.3990 1.0000 0.4099 1.9595 2.2681 1.7833 1.1472 1.2107 0.8099 1.1133 1.0064 2.3277 1.4340 1.2045 0.5167 1.0800 1.4046 0.8662 0.6136 0.7434 0.9032 0.5630 0.7485 asparagine 1.2025 0.9336 1.4432 1.2212 1.3153 1.0737 1.0000 1.1323 0.9075 1.4489 1.0970 1.0666 0.8324 0.9654 1.2255 0.7688 0.9769 0.9255 0.7833 1.0012 1.0629 0.7939 1.0153 1.1324 0.9738 1.0062 0.9698 0.8233 0.8981 0.9110 0.8565 0.9452 1.0635 aspartate 0.4992 0.3481 0.7517 0.8227 0.8167 0.5715 0.5949 0.5903 0.6760 0.6099 0.7772 1.6683 0.9322 1.2801 2.0555 1.8528 2.3371 1.2839 1.3783 1.2222 1.9581 1.4090 1.1817 1.2210 1.0000 0.6821 1.1232 1.0464 1.3948 0.7391 0.6198 0.4988 2.2721 azelate (C9-DC) 0.9816 1.1312 0.9450 0.7689 0.8741 0.6554 0.8974 1.2202 0.6784 1.3894 1.4773 0.7348 1.1016 1.2739 1.3878 1.3298 1.1200 0.8813 1.0000 0.8457 1.0535 2.1893 0.8269 1.0555 0.7085 0.5750 0.9681 1.7816 1.1631 1.1382 0.7401 1.0552 0.9264 behenate (22:0)* 0.7045 1.0000 1.0936 0.6568 0.9719 0.7839 0.9861 1.1683 1.3510 0.6738 1.0083 0.9342 1.3171 1.4283 0.6583 0.9425 0.9058 1.0340 1.3126 1.5059 1.2556 0.6148 0.8389 0.7418 1.1380 0.7002 1.7415 0.5318 1.1860 0.5105 1.5966 2.5475 2.1243 behenoyl sphingomyelin (d18:1/22:0)* 0.8997 1.2561 0.9370 0.9939 1.0074 0.9378 1.0690 0.8715 1.0000 0.9658 1.1280 0.9747 1.0610 1.0098 0.8758 0.7119 1.0721 0.8930 0.9978 0.9372 0.9001 0.9374 0.8178 0.8937 1.2616 1.2255 1.2954 1.1893 1.0403 1.1487 1.2757 1.1556 1.4582 behenoylcarnitine (C22)* 0.2471 0.4650 0.2480 0.7226 2.0764 1.4835 1.4227 1.8683 2.1286 0.4411 1.2039 0.4335 3.3616 0.5608 0.3031 0.2950 0.3013 0.4065 1.2200 1.7194 0.7740 0.5287 0.7372 1.9255 2.2058 1.9419 0.9197 1.0150 0.9099 1.9283 1.0000 1.7597 1.5692 benzoate 1.0732 0.9659 0.9621 1.0000 0.6589 1.0488 1.3593 1.8277 1.3613 0.9848 0.8872 0.7431 0.9275 1.3358 0.9346 0.9277 1.0471 0.8006 0.8445 0.9895 0.8949 1.0394 2.0918 1.5685 0.9010 0.9790 1.0167 1.0199 1.0971 0.7998 1.0349 1.2750 1.8502 beta-alanine 0.9695 0.8605 0.9747 1.1862 1.1493 0.9416 1.0453 0.9534 0.8877 1.0531 0.9409 1.1341 1.0621 0.9517 1.3192 1.0068 1.2233 1.0831 1.2102 0.9846 1.2622 0.9714 1.2154 1.0148 0.9316 1.0111 0.8768 0.9705 0.9306 1.1359 0.8871 1.0000 0.8964 beta-citrylglutamate 0.4380 0.6272 0.4511 0.5207 0.5932 0.4817 0.4821 0.3580 0.6582 0.5126 0.6114 2.4282 0.4307 1.5443 5.2106 2.6880 2.5818 3.2083 1.5958 1.3491 1.7462 4.1694 1.4038 1.2420 0.4969 0.7678 1.6667 1.2185 1.0000 1.0259 0.8425 0.4332 1.0982 beta-hydroxyisovalerate 1.3023 1.4779 1.0285 0.8964 1.0000 0.8641 0.9254 0.8977 0.9425 0.8364 0.9097 0.9808 1.1433 0.9833 2.0349 1.2436 1.3715 1.0686 1.6515 0.9247 1.1144 0.9592 1.5003 1.4678 0.9981 1.2399 0.8033 0.9465 0.9195 0.6587 1.0401 1.0562 1.1242 beta-hydroxyisovaleroylcarnitine 1.2255 0.6531 1.2356 1.0657 1.1279 1.1662 1.0000 0.9598 0.8351 1.5843 1.1126 0.7921 1.0191 0.7846 0.8124 0.5788 1.5191 1.0589 1.0454 1.3688 0.9172 0.9417 1.3160 0.7727 0.8828 1.0384 0.7916 0.6809 0.9974 0.9914 0.7117 1.0794 1.0735 beta-muricholate 0.1998 8.2036 1.0984 0.4858 0.4426 0.9911 0.6364 1.0000 0.9080 0.2291 0.2098 0.4094 14.1659 0.7087 0.6670 0.6061 0.2041 1.0037 1.4865 0.6967 0.8262 0.5086 1.2248 2.3840 3.2267 2.1001 1.0230 1.3671 2.1678 1.2933 1.6163 2.9710 4.4425 beta-sitosterol 1.2154 1.1740 1.1869 0.8295 0.9990 1.2963 1.1265 0.6351 1.0000 1.3569 0.9956 0.8730 0.6035 1.1927 1.0982 1.2250 1.0750 1.3957 0.9253 0.8231 0.8516 0.7275 0.3694 0.7990 1.1192 1.1766 1.2126 1.1139 0.7041 0.8435 0.6852 0.3244 1.0958 betaine 0.7703 0.5374 0.5683 1.0082 1.0025 0.9116 0.9742 1.0036 0.9191 0.9879 1.0478 1.2672 1.0000 1.5421 1.0548 1.1330 0.8000 1.1491 0.9099 1.3259 1.0908 1.0713 1.0751 0.7946 1.0720 0.9948 1.1059 1.1996 0.9278 0.9349 0.6065 0.8191 0.9587 bilirubin 0.3397 0.9652 0.3704 0.2790 0.2995 0.2790 0.2790 0.2790 0.2935 0.2790 0.3081 1.5631 0.2790 1.0549 1.2575 0.9748 1.4992 1.6165 1.1902 0.3243 1.1865 2.2999 1.6723 0.6966 0.2790 0.6999 0.5010 1.6797 0.8118 1.0252 1.1623 0.2790 1.3597 biliverdin 0.8328 1.2798 1.1633 0.9905 0.7885 0.9435 0.5267 0.5439 0.8920 1.0000 0.8972 0.9128 0.2979 1.3209 1.6300 0.6932 1.3796 1.2906 1.2307 0.6527 1.1842 1.6127 1.0623 0.6475 0.3496 1.3131 1.2735 1.5946 0.9688 1.0254 1.2204 0.4480 1.4010 butenoylcarnitine (C4:1) 0.4088 1.3554 0.1235 0.1235 1.0755 1.7392 1.1208 0.1235 1.0004 0.5529 1.3261 0.4795 3.2804 0.1716 0.1235 0.1235 0.1235 1.2501 0.9996 1.5655 0.7986 0.2948 0.5485 4.6415 2.5684 2.2907 1.2157 0.8269 1.2857 0.7313 0.8893 0.5288 0.2860 butyryl/isobutyryl CoA 0.3536 0.7096 0.3536 0.6558 0.6826 1.2086 1.0877 0.3536 0.5825 0.3536 0.3536 0.3536 0.8781 0.3536 0.3536 0.3536 0.3536 1.2874 1.2373 0.3536 0.9912 0.3536 0.7227 1.8264 0.3536 2.3372 0.3536 1.5122 2.2092 1.0046 1.7099 0.9954 0.3649 butyrylcarnitine (C4) 0.5215 0.6966 1.1827 0.6506 1.3510 1.5189 1.3562 0.7875 1.0238 0.6519 1.0000 0.3521 2.5551 0.3281 0.2422 0.3776 0.1935 0.9311 1.1810 1.5617 0.9570 0.3441 0.7142 2.4483 1.5448 2.0533 0.8230 1.0662 1.7604 0.8820 1.2115 1.3072 1.0583 butyrylglycine (C4) 0.3230 2.9378 1.2941 0.3230 0.3325 0.3230 0.3230 0.3230 0.3230 0.3230 1.7955 1.0737 1.5945 1.2953 0.9788 1.1879 0.3230 0.5870 0.3230 0.3601 0.3230 0.3230 1.1123 1.7082 0.9693 0.5788 1.0000 0.6185 0.3230 0.3230 0.6999 0.3230 0.3230 C-glycosyltryptophan 0.8567 0.6510 0.7170 0.7632 0.7865 0.7140 0.7599 0.7038 0.7810 0.7778 0.9256 3.5468 0.7195 1.8002 2.7603 2.0250 2.2118 1.6420 1.7397 1.3533 1.9261 2.6316 1.9271 0.8443 0.7329 0.8283 1.2545 1.2494 1.1384 1.1610 1.2439 0.6731 1.0000 campesterol 1.2136 1.1298 0.9978 0.8411 1.0287 1.2134 1.0294 0.7644 1.0601 1.2166 1.1098 0.8823 0.5133 1.0498 1.0535 1.0043 1.2462 1.2306 0.9325 0.6806 0.8875 0.6801 0.6487 0.6918 0.9064 1.1255 1.0639 1.0000 0.6911 0.8748 0.7334 0.5771 1.2294 caproate (6:0) 0.9329 0.7930 0.9870 1.0654 0.8321 1.0580 1.0326 1.8562 0.9287 0.8010 0.9241 2.0009 1.0000 0.9465 0.9484 1.8106 1.1951 0.8985 0.8746 0.9284 1.1187 0.9105 0.9851 1.8675 0.9489 0.9279 1.2688 1.0102 1.1639 1.0741 1.3099 1.5531 1.1603 caprylate (8:0) 1.4427 1.0458 1.4887 1.0559 0.6480 0.7132 1.5068 2.7298 1.4939 1.1772 0.9970 1.0000 0.6479 0.7931 0.8250 2.1743 1.0149 0.8293 0.7860 0.9671 0.7751 0.6538 1.1689 3.3482 0.8085 0.9863 1.2206 0.9727 0.7849 1.6206 0.9615 1.7259 1.9578 carnitine 1.3270 1.0687 1.1136 1.2957 1.0708 1.1356 0.9730 1.0632 1.1434 1.2710 1.1197 0.6763 0.9487 0.9183 0.7533 0.7347 0.8632 1.0000 0.8101 0.8169 0.8639 0.8279 1.0015 1.0627 1.0230 0.9802 1.1234 0.9455 0.9823 1.2021 0.9629 1.2757 0.8874 carnosine 1.9998 1.2344 1.3307 2.1785 1.8792 1.5493 1.2147 1.6224 1.3752 1.5415 1.1462 0.6174 0.7665 0.6180 1.0119 0.6049 1.4356 0.8743 0.7674 0.6434 0.6078 0.6495 0.7696 0.7490 0.8701 0.8524 0.7960 0.8632 0.9998 1.3954 1.0891 1.0989 1.0000 catechol sulfate 1.3805 1.5346 1.5190 1.1630 1.7827 1.8497 1.4791 1.4055 1.2327 2.1212 1.4472 0.3835 0.3926 0.7972 0.7420 0.5109 0.2934 0.3764 0.8401 1.3036 0.8049 1.0000 1.2433 0.4924 1.1254 1.7078 0.9002 0.8040 0.3225 0.8292 1.6394 0.4073 0.5129 ceramide (d18:1/17:0, d17:1/18:0)* 0.5478 0.6249 0.8303 0.2321 0.2321 0.3225 0.8385 0.2321 0.7530 0.7975 0.5392 1.7827 0.9771 1.3081 1.3499 1.3036 1.7062 0.9616 1.3571 1.2923 1.1199 1.8562 0.9066 0.3097 0.8666 0.9192 1.1367 1.1610 1.1612 1.0187 1.0000 1.0787 1.4164 chenodeoxycholate 0.3159 0.6488 1.0276 1.0000 0.4602 1.0177 1.8153 1.4731 1.7011 0.0948 0.1765 0.3830 15.2443 0.4078 0.1922 0.3861 0.1163 0.3318 0.7317 0.8778 0.8937 0.5147 0.8142 3.7659 3.1246 4.3988 2.0802 2.2642 3.4623 2.3396 2.7426 6.4436 3.0161 chiro-inositol 0.8215 0.8108 0.7372 1.0353 0.6043 0.5098 1.0745 0.9695 0.7170 0.6901 1.1076 1.2767 0.9102 1.3241 1.3038 1.3958 0.4344 0.8207 1.5308 0.9176 1.0898 1.1433 1.2669 1.2828 0.8807 1.0000 1.1831 1.7403 1.1560 0.8940 0.8589 0.8825 1.4381 cholate 0.1666 3.4822 0.6907 0.3440 0.5066 0.6406 0.8386 1.1860 0.8610 0.1643 0.1955 0.8951 4.3151 1.1500 0.7935 0.7544 0.6160 1.4679 2.0129 1.0462 1.1896 0.8052 1.1865 1.0000 0.7440 2.9923 0.8735 1.4771 1.8431 1.0857 1.2732 1.9153 3.8376 cholesterol 1.0332 1.1486 0.9069 0.9870 0.9470 0.9236 0.9877 0.9448 0.9860 0.9802 0.9616 1.0291 0.9626 0.9842 1.0452 0.8859 1.0683 1.0000 1.1160 0.9107 0.9607 1.0096 1.0602 1.0604 1.0897 1.0413 1.0049 1.0679 0.9107 1.0327 1.0678 0.9703 1.0935 cholesterol sulfate 0.6912 0.4358 0.6767 1.3688 0.8392 0.9806 1.1563 1.1863 0.6675 1.0000 1.1667 1.5949 0.6557 1.0222 1.2458 1.3592 2.4574 1.0144 0.6190 0.7533 0.6562 0.8741 1.5194 1.1737 0.7541 1.0468 1.0001 1.4071 0.4861 1.2219 0.4998 0.4649 0.9593 choline 1.0638 1.8089 1.0957 1.0114 1.1071 0.8140 0.9493 0.9118 0.8759 0.7707 1.1718 2.0757 0.9749 1.2200 1.3251 0.9026 1.3393 0.8105 1.0000 0.8489 1.1876 1.5558 1.3708 0.8800 0.9202 0.8598 0.9279 0.7476 0.8244 1.0700 0.9575 1.1180 1.0502 phosphocholine 1.1440 0.7339 0.7605 1.1102 1.1767 0.9209 0.9276 0.9061 0.8913 0.9698 1.0000 1.3850 0.9359 1.3214 1.4415 0.9960 1.2697 1.1761 0.9618 0.9848 1.3883 1.3534 1.4135 0.9682 0.9990 0.7928 0.9953 0.9951 1.0820 1.3858 1.2254 1.0750 1.5330 cis-4-decenoate (10:1n6)* 0.4072 0.3244 0.3244 0.8129 1.4895 1.6829 1.8577 3.2273 1.0019 0.6283 0.5861 0.3244 0.4390 0.3796 1.6483 1.3857 0.6218 2.0286 0.8290 0.3244 0.6263 0.7765 0.3244 3.6885 0.3244 1.9517 1.9610 0.9981 2.1344 0.5224 0.5350 1.1742 1.8956 cis-4-decenoylcarnitine (C10:1) 0.3819 0.1647 0.1109 1.0467 2.2448 2.6633 3.6179 1.9435 2.9257 1.1182 0.6477 0.1246 1.4072 0.2243 0.5495 0.6066 0.6291 0.7585 1.1297 1.2291 0.5513 0.6205 0.8048 3.0974 1.2725 2.0768 0.7659 1.1121 0.9495 1.0000 1.4383 1.6698 0.2517 citrate 0.5742 0.6535 1.0023 1.5014 0.7933 1.5164 0.9175 0.7393 0.8832 1.1255 0.8940 0.9450 1.0000 1.0278 1.7776 1.3254 1.3907 1.1215 0.9436 0.8587 1.0543 1.0300 0.9336 1.3636 0.6529 0.9152 1.0780 1.2680 1.1950 0.8576 1.0629 0.8543 0.9019 citrulline 1.3269 0.8678 0.8343 1.1336 1.2453 1.1774 1.0143 1.1857 0.8438 0.9888 0.9180 0.6111 1.0237 1.1152 0.5677 0.6723 0.6096 0.8287 0.9919 0.8816 1.0373 0.6346 0.8853 1.4042 1.3705 1.1431 1.1369 1.0000 0.9725 1.2126 1.1494 1.2376 0.9461 CoA-glutathione* 0.5475 1.0360 0.5183 1.5500 0.8267 0.8057 1.0477 0.5270 0.8589 0.8676 1.0084 1.0500 1.1664 0.7100 1.5457 1.0673 1.5511 1.2448 0.8545 0.6441 1.0123 1.0778 1.2889 0.7545 0.8563 0.8175 0.8643 1.2242 1.0000 1.3688 1.2655 0.9952 0.5635 CoA 0.2661 3.3142 0.7751 0.7136 1.9009 0.9011 1.5085 0.0964 0.6761 1.0016 2.3985 4.2314 12.2534 0.5010 1.2627 0.0964 0.9984 2.3011 1.8341 2.6664 0.9777 0.6135 1.6687 0.2933 9.5119 1.1224 0.5771 0.9682 1.0036 2.2655 0.8481 0.6668 0.8004 corticosterone 1.6543 4.0323 1.3044 1.0958 0.6807 0.9952 1.0000 1.0226 0.5735 0.8787 1.5971 0.6708 1.0356 0.3865 0.5133 0.4901 1.1304 0.0460 0.7050 0.4317 1.1279 1.8748 1.2770 0.4573 0.2315 0.3017 1.1082 0.4528 1.2918 1.2376 1.6133 0.9653 1.2367 creatine 1.1236 0.8964 0.8968 1.1480 1.0870 1.1517 1.1259 1.1992 1.1075 1.1594 1.1066 0.8823 1.1278 0.9415 0.9106 0.7884 0.9575 0.8734 0.9009 0.9431 0.9365 0.8152 1.0781 1.1262 0.9778 1.1184 1.0000 1.0489 1.0655 1.1685 0.9243 0.9393 0.9966 creatine phosphate 1.0000 0.1604 0.7728 1.4273 1.1589 1.3030 1.4184 0.6544 2.0584 1.2494 1.1070 0.3357 3.1348 0.8781 0.9407 3.0693 2.1359 0.3050 0.6797 5.4556 0.7253 0.5888 0.3495 0.4498 1.5393 0.8087 1.6177 0.9332 1.1034 0.5757 1.3545 0.6031 1.5221 creatinine 1.1216 1.0000 1.0120 1.0613 1.5127 1.0165 1.0138 1.0922 1.0437 1.0188 0.9625 0.7802 1.1398 0.7848 0.7383 0.6721 0.8182 1.0039 0.8798 0.8014 0.7654 0.7410 1.0025 0.9944 1.2077 0.9913 0.9112 0.8776 0.9852 1.1639 0.9724 1.1723 1.0832 cystathionine 0.9458 0.7238 0.9951 1.5788 1.2128 0.9998 1.0000 0.9331 1.2290 0.9965 0.7793 1.0365 0.9807 1.1737 1.2004 1.2092 1.1744 1.1221 0.7771 0.8501 0.9563 0.8072 0.9885 0.9095 1.0070 0.9357 1.3986 1.0770 0.8651 1.3357 1.1230 1.2462 1.1079 cysteine 0.7641 1.9685 1.3295 1.0958 0.1863 1.1324 0.2831 0.1685 0.6065 0.9998 0.5231 2.2941 0.1880 1.4725 1.7822 0.4132 1.3191 1.3880 1.7177 0.3216 1.2573 1.6669 1.2696 0.2198 0.1457 1.1273 0.8658 1.0852 1.0000 0.9988 0.7844 0.3223 1.1221 cysteine-glutathione disulfide 0.6168 2.8279 1.7119 1.5358 1.3288 1.2743 1.5397 1.2146 1.6277 0.9418 0.4071 1.1231 0.6834 1.0423 0.9852 1.4693 0.8602 1.0018 0.7541 0.9035 0.5704 0.9643 1.0035 1.0811 0.6289 1.1002 0.8138 1.0244 0.8166 0.5015 1.0000 0.7255 0.7584 cysteinylglycine 0.2387 0.9366 0.8018 0.3432 0.2387 0.2387 0.2387 0.2387 0.2387 0.2387 1.4303 4.6926 1.5429 0.8385 0.9790 0.2387 0.2387 1.3109 1.6074 1.6396 0.9771 0.3077 1.0210 0.2387 2.0574 0.2387 0.2387 0.2940 0.9462 1.7874 0.2387 0.2387 1.0311 cystine 0.9688 1.2624 0.9866 1.2983 0.4351 0.4351 1.0106 1.7148 1.3638 0.4351 0.4351 0.4351 1.0337 1.0514 0.4351 2.7016 0.7420 0.8785 0.8442 0.9300 0.9682 0.4351 0.9879 1.4682 0.7759 1.0000 1.1438 0.4351 0.8508 0.4351 1.0371 1.3848 0.5226 cytidine 0.9547 1.0557 0.6745 0.6971 0.9866 0.8131 0.7828 0.9370 0.8876 0.8003 0.6696 1.5487 0.7491 1.2845 1.4569 1.0125 1.1679 1.0991 1.2114 1.0304 1.0862 1.6383 1.1595 0.7200 0.6725 0.8814 1.1588 1.2392 1.0000 1.0892 0.6394 0.9802 1.1589 CDP-choline 0.6588 1.1865 1.0936 0.6753 0.5486 0.5101 0.6894 0.5037 0.5723 0.5466 1.6867 4.2945 1.2937 2.5921 1.9318 1.8447 1.7286 3.1992 1.3281 0.9908 1.0000 0.7150 1.1349 0.9199 0.9631 1.8743 1.2782 3.0559 0.8521 0.7516 1.0881 0.7350 0.7809 CMP 0.7483 0.8064 0.5018 1.0000 0.9085 0.9130 0.9194 0.9875 0.9064 0.8525 0.5970 0.9170 0.6692 1.8076 4.2562 3.4839 2.6098 1.8723 1.5498 1.3707 1.5357 2.4480 2.8395 0.6865 0.5628 0.8125 1.0475 1.7659 1.4089 1.1614 1.0434 1.0235 0.9339 cytidine 5'-monophospho-N-acetylneuraminic acid 0.9876 0.7996 1.5489 0.6247 0.6236 0.6236 0.9717 0.7764 0.9822 1.0527 1.4350 1.2829 0.7299 1.1851 1.3967 2.1119 1.5384 1.4857 1.1516 0.8039 1.4711 1.6621 1.1928 0.8072 0.7349 0.9233 0.9527 1.3417 1.0000 0.6236 0.9359 1.0391 0.8973 cytidine diphosphate 0.9943 0.3750 0.1894 1.1062 0.7825 1.0057 1.0983 0.8450 1.0545 1.0572 0.1894 0.7665 0.4886 0.8673 3.3366 5.4737 3.4336 1.2625 1.3873 1.8437 0.9857 1.7509 1.5702 0.2080 0.2488 0.3354 0.9857 2.0259 0.9644 1.1039 1.2462 0.6561 0.8226 CDP-ethanolamine 0.9425 0.9858 0.7156 0.7881 0.4255 0.7414 0.6856 0.6668 0.6888 0.7905 1.1968 2.2468 0.9827 1.8816 2.0927 2.0048 1.5610 2.1923 1.1131 1.0104 1.2518 1.0283 1.1497 0.9076 0.8125 1.2181 1.0939 2.3653 1.0000 0.9968 1.2299 0.8586 0.8362 cytosine 0.5243 0.8110 0.6599 0.5243 1.4139 0.5243 1.0511 2.0475 0.5445 0.6708 0.6576 1.0088 0.7541 1.7969 0.7710 0.6078 0.9059 0.5564 1.9935 1.8110 1.4996 1.0656 1.7709 0.9036 1.1538 0.7040 0.6747 0.7075 1.5691 1.0000 1.2152 1.1872 2.0221 daidzein 0.3450 9.7850 0.3450 1.0175 1.8975 0.3450 0.3450 0.9825 0.3450 0.6703 0.5897 0.3450 0.3450 2.0483 1.1181 0.5333 0.8945 0.3450 0.3450 0.3450 0.3450 0.3450 1.4448 0.5899 0.3450 0.3450 0.3450 1.1936 0.3450 1.0307 0.3450 0.3450 0.5853 daidzein sulfate (2) 0.8423 7.4453 2.7017 2.1440 1.7626 0.4925 0.9874 1.0126 0.4194 0.3176 1.4672 0.3176 0.3176 0.3478 0.3176 0.3176 0.3176 0.3176 0.4913 1.2995 0.5507 0.3176 2.3155 0.3176 0.3176 0.3176 0.3176 0.3176 0.3176 0.3176 0.3176 0.3176 0.3176 decanoylcarnitine (C10) 0.6615 0.2405 0.2045 1.0376 1.8226 2.8036 3.0499 1.5252 2.8687 0.9428 0.7632 0.1537 2.7705 0.2688 0.4853 0.5425 0.5635 0.8474 0.9356 2.4061 0.3475 0.4078 0.4685 5.1299 2.3223 1.8642 1.0000 1.2216 1.0435 1.1138 1.2324 1.3518 0.7619 dehydroascorbate 1.4108 2.0656 1.0794 1.1441 0.8038 1.4372 0.3040 0.4923 1.0000 1.2292 0.3716 1.1740 0.0349 0.9070 1.0599 0.1323 0.6524 1.6848 0.9890 0.0852 1.0084 1.4963 1.0114 0.3409 0.0531 1.4543 0.7858 1.1534 0.8052 1.1767 0.6767 0.3203 1.0278 deoxycarnitine 1.1808 0.6987 0.6701 1.0424 1.1513 1.0000 1.0013 1.0957 0.9804 1.1236 1.1241 1.0062 1.0399 1.1510 0.7090 0.8167 1.0076 0.9315 1.0113 0.8237 0.8565 0.8878 1.1168 0.9513 1.1975 1.1236 0.9139 1.0696 0.8452 0.9732 0.7908 0.7799 0.7259 diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])* 7.0125 5.1837 2.3928 0.4718 0.5605 1.0000 0.6567 0.4718 1.2428 1.5088 1.4586 0.8392 1.0127 0.9345 1.2009 1.0484 0.4718 1.2139 0.6790 0.9797 0.4718 0.4718 0.4718 1.3658 0.6447 0.8810 1.6913 0.5397 0.6679 0.4718 0.4906 0.5986 1.9855 dihomolinoleate (20:2n6) 1.4694 1.4541 0.8081 0.6039 1.4605 1.0449 0.8995 1.7975 1.4872 1.1407 0.6935 1.3109 0.8443 1.0962 1.0000 0.6497 1.6569 0.8592 0.9170 0.8502 0.9463 0.6202 0.6996 1.0735 0.4498 1.0511 1.6004 0.8791 0.8544 0.5661 1.2067 2.8140 1.9096 dihomolinolenate (20:3n3 or 3n6) 1.2675 1.5197 0.9322 0.4810 1.1715 0.8664 0.8960 1.4395 1.4227 0.8287 0.7648 1.5400 0.7444 1.1579 1.0571 0.8121 1.5799 1.1924 0.8994 0.9165 0.9802 0.8551 0.6254 1.1952 0.5102 1.0000 2.1396 0.6909 1.0600 0.6254 1.7005 4.9464 2.9675 dihomo-linolenoylcarnitine (C20:3n3 or 6)* 0.4787 0.1668 0.2152 0.6656 4.6457 4.5744 5.1864 2.4391 5.9760 0.8392 0.5008 0.3700 5.0883 0.3150 0.4422 0.3788 0.5500 1.0000 1.6343 5.7958 0.3744 0.7191 0.5339 3.6872 2.1887 3.2788 0.6066 1.2014 1.1979 3.0382 1.1636 2.1697 0.7535 dihomo-linoleoylcarnitine (C20:2)* 0.1709 0.0320 0.1096 0.4827 3.6251 3.1410 4.4504 1.5345 3.7308 0.5039 0.9145 0.2965 9.8415 0.1859 0.1560 0.3012 0.2760 1.0009 3.0772 7.6561 0.4467 0.3266 0.3408 7.7022 3.4629 8.3208 0.5619 2.2499 1.6471 1.0000 1.2878 1.2616 0.7857 dihydroorotate 0.6056 0.8974 0.6428 0.9515 0.6056 0.8163 0.6150 1.1392 1.1418 1.1590 0.7793 0.6056 0.7060 0.8145 1.3126 1.1421 1.0330 0.6056 0.6056 1.6919 1.2344 1.1135 0.6056 0.8363 0.9477 1.1243 1.1462 1.0875 0.9273 1.0062 0.9879 0.9938 1.1347 dihydroxyacetone phosphate (DHAP) 1.0142 0.9763 0.1479 0.3940 1.2722 1.3031 1.0467 0.7911 1.3067 1.3216 0.4892 0.1479 1.1710 0.4162 0.7164 0.4009 0.3954 0.7526 1.3178 1.4413 1.2238 1.7868 0.9686 0.2617 1.8038 0.6870 0.8162 0.3273 1.1382 1.4509 1.2510 0.9858 1.2509 dimethylarginine (ADMA + SDMA) 1.3789 0.9477 0.8564 1.1691 1.0659 0.8566 0.9331 0.9016 1.0321 0.9225 1.0292 1.0073 1.2221 1.0000 0.8709 0.7372 0.6208 1.0681 0.9019 0.8329 0.9679 1.0749 0.9235 1.3391 1.5654 1.2060 1.0312 0.9060 0.7149 1.0808 1.2101 0.9324 1.3534 dimethylglycine 0.8318 1.5739 1.1327 1.0195 1.0511 0.9038 0.7728 0.6801 0.7069 0.9334 1.0196 1.4058 1.0549 1.3132 1.2620 0.9563 0.8229 0.9533 1.2180 1.0391 0.9521 0.7781 0.8181 1.3301 1.0495 1.0000 0.8848 1.0435 0.7795 0.7238 1.0065 1.0788 0.8616 dimethylmalonic acid 1.3142 0.4894 1.1424 0.9619 1.0334 1.0119 1.2868 1.1204 0.4962 0.8340 1.0775 0.6436 0.7278 0.7754 1.5043 0.9881 2.6471 0.4962 0.6266 1.0572 0.7558 1.2612 0.7545 0.8886 1.2103 0.8647 1.0892 0.6357 0.9097 1.2039 0.4894 1.0870 1.2423 docosadienoate (22:2n6) 1.0742 0.9397 0.5214 0.4468 0.9005 0.6819 0.6310 1.2375 1.0149 0.7196 0.7434 2.1699 1.1039 1.1577 1.4911 1.2866 2.3729 1.1021 0.9980 0.7975 0.9218 0.9003 1.0000 1.1237 0.6090 1.0059 1.4624 0.9684 0.8489 0.4524 1.0589 2.1550 1.8688 docosadienoylcarnitine (C22:2)* 0.1453 0.1453 0.3981 0.2255 1.6690 1.5170 1.8163 0.5076 0.8833 0.2652 2.7589 1.6906 16.7103 0.6364 0.1528 0.4299 0.4306 3.7898 3.8939 3.5328 0.9357 0.1887 0.3902 7.5746 2.7013 16.7452 0.7374 5.8452 2.9902 0.5629 1.3555 0.6706 1.0643 docosahexaenoate (DHA; 22:6n3) 0.6146 0.7565 0.4890 0.5044 1.0703 1.0000 0.8216 1.3458 1.8133 0.5791 1.0419 1.2570 1.7476 1.2940 0.7834 0.5640 3.2148 1.1719 0.6582 0.9979 0.9489 0.6078 0.8396 1.7832 0.5667 1.4457 1.9996 0.7147 1.2862 0.7491 2.8652 8.2612 2.3801 docosahexaenoyl ethanolamide 1.1140 1.5038 0.9110 1.3202 0.9484 0.8633 0.8330 0.9480 0.6095 0.7919 1.0038 1.7988 1.1086 1.4083 1.2030 0.9278 1.3537 0.9511 1.0033 0.4655 0.6479 0.9707 1.2756 1.3573 0.7853 0.9024 1.0000 0.8046 1.0755 0.9953 1.1693 1.0227 1.3116 docosahexaenoylcarnitine (C22:6)* 0.7201 0.5147 0.3903 1.3447 2.1144 1.7625 3.7689 1.4808 5.4424 1.0309 0.7139 0.4070 1.7063 0.8846 0.8394 0.9758 1.6816 0.8954 0.6526 0.8358 0.6350 1.0000 1.4409 1.5070 1.2023 0.9737 0.6251 1.2186 0.8857 1.9482 1.8729 1.7274 0.7372 docosapentaenoate (DPA; 22:5n3) 0.8658 1.1996 0.3753 0.4431 1.0000 0.8131 1.2471 1.4384 2.0293 0.8677 0.8561 1.3454 1.0164 0.9743 0.9822 0.5046 2.2135 1.3334 0.5324 0.6674 1.2177 0.6372 0.6886 1.3699 0.3843 1.1692 2.1207 0.5830 1.0090 0.8732 1.6583 7.7168 1.7375 docosapentaenoate (n6 DPA; 22:5n6) 0.6648 0.7900 0.5308 0.5168 1.2904 1.2032 1.1204 1.2449 1.1986 0.5555 0.9572 1.1677 1.3316 1.0233 0.9734 0.6902 2.5733 0.9154 0.6865 1.0860 0.7352 0.5418 0.7651 1.8685 0.7266 0.9730 1.8007 1.0000 1.6294 0.9579 2.6943 8.9105 3.1806 docosapentaenoylcarnitine (C22:5n3)* 0.5176 0.3748 0.3748 0.6404 6.3101 4.1961 12.1757 2.7931 10.7381 1.0473 0.4085 0.3748 1.7151 0.4875 0.6647 0.6587 1.0303 1.0506 0.8054 1.9424 0.6323 0.9059 0.8684 1.3234 0.9137 1.1713 0.4467 1.0000 0.7735 4.8008 1.0161 1.8565 0.3943 docosapentaenoylcarnitine (C22:5n6)* 0.6435 0.1426 0.1426 0.7687 4.9311 3.8085 8.2511 2.3527 4.9262 0.6642 0.4724 0.1426 2.9479 0.5037 0.7443 0.5294 0.5980 0.8102 0.6460 1.5774 0.3798 0.5961 1.0000 2.7274 2.0466 1.3298 0.6790 2.1566 1.3288 3.6603 1.9808 2.6536 0.5304 docosatrienoylcarnitine (C22:3)* 0.1525 0.1525 0.1525 0.1971 2.2123 2.2367 3.3465 0.7805 1.4905 0.2788 0.9151 1.0000 8.2641 0.1566 0.1537 0.3216 0.3332 2.2274 1.9016 3.8508 0.4377 0.2542 0.2659 5.8399 2.3085 9.6407 0.4701 3.2270 2.1863 1.5903 0.8070 1.3464 0.6481 dodecadienoate (12:2)* 0.6026 0.5962 0.4286 0.9644 1.9112 1.4219 1.4992 1.5302 1.1383 0.7406 0.8853 0.6116 1.1221 0.6663 0.8322 0.7844 1.0000 0.7368 1.0795 0.6390 0.8261 0.8891 0.9343 1.5738 1.1664 1.2871 1.0810 0.8964 1.1392 1.0153 1.0782 1.2595 1.7885 eicosapentaenoate (EPA; 20:5n3) 1.4505 1.1692 0.6507 0.5065 1.1561 1.0744 1.1227 1.1005 1.9182 0.8979 0.7099 1.5894 0.9024 0.7060 1.2642 0.6910 1.6135 1.4835 0.5320 0.6875 0.6536 0.6287 0.6244 1.4916 0.2877 1.0000 1.7416 0.5912 0.7624 0.6143 1.1488 5.8157 1.4427 eicosenoate (20:1n9 or 1n11) 0.9939 1.2213 0.8060 0.8628 1.5096 0.9987 0.7674 1.9617 1.2374 0.7427 1.3422 0.8457 1.4900 1.0000 0.6984 0.5817 1.4804 0.8863 0.8879 1.2374 1.3776 0.5992 1.1044 1.3031 0.7243 1.1316 2.4165 0.8311 0.5710 0.4297 1.1349 2.4112 2.9644 eicosenoylcarnitine (C20:1)* 0.1375 0.0657 0.1081 0.4008 2.7412 2.2039 2.5420 1.3610 2.5299 0.3044 0.9971 0.3469 6.6382 0.2020 0.1441 0.2767 0.3124 1.0000 1.9069 4.2052 0.3994 0.3114 0.4276 6.0728 2.2500 5.1449 0.6724 2.0584 1.4046 1.1131 1.1022 1.1155 0.9327 enterolactone sulfate 0.4825 34.4215 1.0255 0.4825 0.4825 0.9265 0.5477 0.4984 0.4825 0.4825 3.2696 1.7532 1.5217 1.8604 2.7591 0.4825 0.9088 1.1488 2.5191 0.9510 0.4825 0.5574 0.9745 0.5289 0.4825 1.0258 0.8215 0.4825 0.4825 0.5849 1.0766 0.4825 0.4825 equol glucuronide 0.7262 1.4349 1.1756 0.9942 1.0547 1.1773 1.2934 1.0000 0.9842 0.4893 1.4479 0.3960 1.3876 0.9152 0.3311 0.1763 0.1134 0.9431 2.2721 1.0313 0.9698 0.6266 0.9495 0.4863 1.3338 1.0845 0.7068 0.2847 1.3423 1.2382 1.4252 1.4395 2.1999 equol sulfate 1.2675 18.1354 3.0856 1.2604 1.0356 2.3157 2.0479 1.3786 0.8449 0.4720 1.9027 0.7957 0.7810 1.1768 1.4699 0.3439 0.2767 0.6933 2.1636 1.5184 1.0447 0.9757 1.4257 0.9941 1.1648 0.8002 0.7913 0.2215 0.4591 0.5979 1.0000 0.7452 0.9780 ergothioneine 1.0961 0.8058 0.7537 1.1688 0.7519 0.8935 1.0000 0.9833 0.9216 0.9748 0.9557 0.9250 1.3344 1.0387 0.6941 0.7679 0.8598 1.2438 0.9193 0.7982 0.6528 0.9095 1.1300 1.2074 1.1573 1.1515 1.2050 1.0962 1.3505 1.2308 1.0844 1.4755 1.1051 erucate (22:1n9) 1.0000 1.0083 0.9043 0.7428 1.3440 0.9433 0.9966 2.4124 1.2585 0.6902 1.0256 1.0751 1.9286 0.9644 0.6172 0.6904 1.6596 0.6789 0.7071 0.8258 1.2352 0.6582 1.1476 1.2305 0.7982 1.1049 1.7139 0.7273 0.6175 0.3770 1.1499 2.5629 2.6474 erucoylcarnitine (C22:1)* 0.0981 0.2525 0.1868 0.5261 1.4708 1.1248 1.1318 1.2009 1.2078 0.1944 1.1119 0.6456 6.2274 0.2962 0.1317 0.2205 0.3177 1.2172 1.0729 1.5053 0.4799 0.3278 0.6616 2.8361 1.3020 3.8883 0.7631 2.1106 1.0000 1.1204 0.7675 1.0572 0.8509 erythritol 1.0594 1.6767 1.0471 0.9020 0.9250 0.6912 0.9860 0.8772 0.9371 0.6674 0.9093 0.9795 0.8364 0.9304 1.0650 1.1452 0.7745 0.8436 1.4198 1.0850 1.3452 1.7568 1.3418 0.8043 0.7199 0.7061 0.6674 1.2527 1.3136 1.1429 1.0140 1.0511 1.3557 erythronate* 1.0407 0.7871 0.8662 0.7065 0.9505 0.7284 0.6933 0.8934 0.8338 0.5972 0.9056 2.5514 0.4476 2.1129 2.7693 2.0873 2.1216 1.2890 1.2652 1.0944 1.5101 2.5814 1.4911 0.6784 0.4172 0.7854 0.9633 1.2565 1.1632 1.0459 1.0000 0.8301 1.1202 erythrose 4-phosphate 0.1763 0.1763 0.1763 0.1763 0.4808 0.1763 1.2170 0.1939 0.1763 0.1763 1.0000 0.1763 6.9534 0.1763 0.1763 0.1763 0.1763 0.1763 0.1763 1.3874 0.1763 0.1763 0.1763 0.3462 4.0453 0.1763 0.1763 0.1763 0.1763 0.1763 0.1763 0.1763 0.1763 ethyl beta-glucopyranoside 1.4026 1.1660 1.2413 1.2668 0.4518 1.2145 0.1624 0.1624 1.0360 0.9211 0.7266 0.9056 0.4629 0.1624 0.9791 0.1624 0.1624 0.1624 0.9346 0.9027 1.0140 0.1624 0.1624 0.1624 0.1624 0.9860 1.0460 1.2838 1.0456 0.7289 0.1624 0.1624 1.1232 ethylmalonate 1.3074 3.9667 1.5889 0.6735 0.9318 0.6393 1.7800 0.5610 0.9374 0.7467 1.2676 0.8743 1.5609 0.8822 1.0027 0.6704 0.4666 0.9819 1.4373 0.7099 0.8281 1.4589 2.2363 1.4000 1.0701 2.3948 1.0000 1.2948 1.0044 0.4464 0.6871 1.4212 0.9460 ferulic acid 4-sulfate 0.7771 2.5570 2.2877 1.0181 1.0000 0.7971 0.8452 0.8249 0.8522 1.1918 2.6807 0.8438 0.6159 2.4164 0.6642 0.5535 0.3280 0.5093 1.8605 1.4261 0.6807 0.3520 2.6896 0.4833 0.3972 1.8376 1.3611 3.5084 1.7379 1.1313 2.5486 1.7454 0.5514 FAD 1.2406 1.1711 1.1171 1.4744 1.3191 1.2004 1.1822 1.0263 1.1116 1.1860 1.0706 0.7792 1.0763 0.7689 0.8094 0.7274 0.8909 0.8027 0.9775 0.9180 0.8294 0.6504 0.8915 1.0000 1.0581 0.9562 0.9288 0.8359 1.0142 1.0216 1.0278 0.9189 0.9779 FMN 1.1133 1.0150 1.0666 1.4426 1.1107 1.1146 1.2669 1.1033 1.0395 1.2801 1.0600 0.8973 1.0841 0.9158 0.9717 0.8192 0.9090 0.8685 0.9357 0.9639 0.9074 0.8169 0.9435 1.0268 0.9018 0.9063 0.8807 0.9623 1.0592 1.0000 1.0050 1.0223 0.8202 fructose 0.9939 3.8648 0.7100 0.7876 1.3010 1.2490 0.6011 0.7770 0.8666 1.6514 0.6004 0.1844 0.7877 0.8401 0.3998 0.5255 0.5786 1.3127 1.8070 2.6126 1.5307 2.0969 3.0288 0.5274 1.0903 0.8060 1.0096 0.5868 1.1763 3.9687 1.6357 1.0000 1.5764 fructose 1,6-bisphosphate 1.2565 0.7121 0.0991 1.5246 1.3519 1.5290 1.8256 0.7732 2.5656 2.0613 0.5061 0.1721 1.0084 0.3714 1.0842 1.0402 0.5931 0.9444 1.6999 2.2312 1.0000 1.6761 1.3301 0.4088 1.3916 0.8282 0.9741 0.4833 0.7938 0.9081 1.5187 0.9287 0.5238 fructosyllysine 2.1456 1.3828 1.2740 1.2763 1.6679 0.9347 0.9035 2.0136 1.1968 1.0215 1.0167 0.3541 0.9961 0.5466 0.2725 0.5291 0.3651 1.0315 1.0000 0.8432 0.8137 0.7600 1.1208 1.8048 1.5612 0.8928 0.8333 0.5877 0.6479 0.8103 1.2288 1.8142 1.7897 fumarate 0.6872 1.2644 1.3560 0.8095 0.7523 0.9002 0.9231 0.7214 0.7482 0.7919 1.5033 1.4678 1.5173 1.5997 1.7093 1.5447 1.4472 1.3292 1.0000 1.0354 1.0414 0.8363 0.8795 1.4130 0.8656 1.3532 1.1943 1.3977 0.8222 0.8103 0.8529 0.6133 0.7789 galactonate 0.3376 1.7230 0.2805 0.7972 0.7781 0.4037 0.9068 0.2805 0.3121 0.9209 1.2732 3.5170 0.9165 1.5582 1.9097 1.8316 1.6913 2.0517 1.1513 0.9882 1.1997 3.0844 1.2943 1.6010 0.5199 0.8365 1.0177 1.4017 0.8017 1.0000 0.9020 0.2805 0.9088 galactose 1-phosphate 0.9712 0.3481 0.3481 0.7382 0.7826 0.9847 0.9493 0.9856 0.3481 0.9730 0.6942 0.5362 0.8617 1.1036 0.9243 1.0458 1.0669 1.5562 1.3643 1.1205 1.4621 1.1464 1.2090 0.5318 0.9406 1.0549 1.3801 0.7254 1.2615 1.0144 0.3481 1.1374 1.2014 gamma-glutamyl-epsilon-lysine 0.6887 0.8826 0.3720 0.8813 0.8629 0.6803 0.6731 0.8638 0.7587 0.7836 0.6746 2.2485 0.3732 1.5575 3.4133 2.7565 2.7268 1.7402 1.9231 1.7269 1.6268 3.2341 2.2850 0.9658 0.5399 1.4166 1.9821 1.6479 1.7212 1.1447 0.8007 0.4061 1.0000 gamma-glutamylglutamate 0.3430 0.3430 0.4711 0.3430 0.5969 1.1652 0.3430 0.8758 0.7884 1.2092 3.1018 3.7625 5.8142 1.4018 2.4336 0.9757 2.9982 0.9803 0.3430 0.7257 0.3430 2.2663 0.6648 1.9606 0.3430 2.1128 1.0000 2.8941 0.3925 0.3430 0.4311 0.8331 0.3430 gamma-glutamylglutamine 0.6444 0.6029 1.0110 0.8699 0.7053 0.7742 0.8204 1.0705 0.6266 0.8631 0.8896 1.0404 0.7554 1.0504 1.4173 1.1217 1.1214 0.9928 1.1983 1.0270 0.8468 1.5731 1.0953 1.1770 1.0411 1.1745 1.4177 0.9470 0.9515 0.8013 1.0000 0.9283 1.4622 gamma-glutamylhistidine 0.5603 1.1971 0.7464 0.8325 0.5603 0.6123 0.7286 0.9018 0.5603 1.0323 0.8746 1.4746 1.3676 0.5603 1.3630 0.7173 1.1397 1.0998 0.8448 0.9113 1.0075 1.5335 1.2965 1.2871 1.5032 1.0318 1.1713 0.9477 0.9844 0.9925 0.9674 1.1313 0.8204 gamma-glutamylisoleucine* 0.6359 0.8638 0.6359 0.6359 0.6359 0.6359 0.6359 0.6359 0.6359 0.9340 0.6359 1.9890 0.6359 0.9108 2.1002 1.0214 1.8326 1.0595 1.0798 1.0000 0.7604 1.3697 1.1627 0.6359 0.8082 0.8520 1.0183 0.9742 0.9175 0.6359 0.6359 0.6359 0.6359 gamma-glutamylleucine 0.9051 0.8846 1.0009 0.9196 0.9529 0.8563 0.8205 0.8732 0.6855 0.9091 1.4032 2.1147 0.8603 0.9842 2.3248 1.3214 2.0618 1.2850 1.4632 0.9113 1.1140 1.3221 1.6911 1.1051 1.1816 1.0000 1.0269 0.8851 0.8992 1.0623 1.0376 0.7370 0.8593 gamma-glutamylphenylalanine 0.4925 1.5331 0.4925 0.6900 0.5116 0.4925 0.6343 0.9634 0.6342 0.8404 1.4125 2.5073 1.2836 1.0000 2.6089 0.9541 1.9838 0.8233 1.2722 0.5820 0.8828 1.2294 1.5437 1.3013 1.3287 0.9837 0.8822 1.1425 1.0875 1.3622 1.0669 0.8454 0.8500 gamma-glutamylthreonine 0.6960 0.6644 0.6104 0.7624 0.5834 0.6775 0.6657 0.7380 0.6592 0.5716 0.9264 1.2309 0.9773 1.3803 1.7325 0.9108 0.9300 1.4459 1.0000 0.8926 1.0241 1.0982 1.5927 1.2177 0.8731 1.1040 1.4621 1.1899 1.2991 1.2331 1.0287 1.2468 1.4985 gamma-glutamylvaline 0.9185 0.8397 0.8285 1.0203 1.0662 0.9928 0.8947 0.6084 0.7084 0.9261 0.7707 1.6196 0.9481 1.2525 1.3689 1.0915 1.5507 1.3322 1.3048 0.9909 1.2055 1.2237 1.6845 1.2402 0.8345 0.8502 1.0000 0.8274 0.8608 1.3039 1.0367 0.8691 1.0121 gamma-tocopherol/beta-tocopherol 1.4966 1.9746 1.7391 1.1152 1.1224 0.9437 1.0196 1.0306 1.3576 1.0000 1.4175 0.9997 0.5390 0.9225 1.1885 0.8353 0.6032 1.2264 1.4728 0.7862 0.9599 0.9616 1.1073 1.2073 0.6917 1.0447 0.9611 0.6863 0.9157 0.8356 0.8076 1.1362 0.9268 gamma-tocotrienol 1.1673 1.1447 0.9004 0.9918 0.9845 0.8079 0.5019 1.2083 0.6951 0.9075 1.4167 0.9768 0.4306 1.6991 0.7489 0.6413 0.4306 0.8691 1.8136 1.2290 1.3341 1.5491 2.1816 0.8856 0.5918 0.9546 1.0082 1.1770 1.7095 1.5595 0.8925 1.6082 1.4075 gluconate 1.8677 2.2982 0.8944 1.4296 1.3326 0.9509 1.3939 1.3896 0.8950 0.9890 1.0000 0.5202 0.9872 1.2544 0.8929 0.9632 0.8012 0.9794 1.1323 1.3299 1.1124 2.9053 1.5066 0.8246 0.8883 0.8477 1.4589 1.0677 0.9534 1.3715 0.8458 0.7960 1.3872 glucosamine-6-phosphate 1.1302 1.4081 0.0878 0.8362 1.1458 1.0000 0.7424 1.0451 0.9787 1.0855 0.3209 0.1454 0.3795 0.7799 0.5605 0.9892 0.9234 1.0186 1.1853 1.1345 1.0124 0.8704 1.2591 0.1939 0.8004 0.6417 1.1323 0.4121 1.1139 1.3582 1.0355 1.4554 1.0557 glucose 1.0395 4.0627 1.0000 0.8768 0.7605 1.3429 0.9913 1.0270 1.1187 0.9954 0.4394 0.0577 0.9010 0.6280 0.3775 0.2815 0.1881 0.6617 1.1114 1.5019 1.1149 1.1738 1.2884 0.9901 1.2175 0.8192 1.2669 0.3287 1.1392 1.6933 1.0554 0.7696 1.6048 glucose 6-phosphate 1.1114 1.5717 0.0820 0.8180 0.9934 1.0000 0.7685 1.0700 1.0246 1.2166 0.3944 0.1525 0.3863 0.8311 0.5218 0.8904 0.9415 1.1533 1.2162 1.1518 1.0064 1.0082 1.1836 0.2147 0.7162 0.7454 1.1698 0.5318 1.0004 1.2554 1.0809 1.3357 0.9147 glucuronate 0.8159 1.3476 1.1172 0.8673 0.7436 0.7626 0.7539 0.8575 0.6793 0.6367 0.7635 1.1899 0.8023 1.1448 1.8513 1.4777 0.8815 1.3172 1.6927 2.1110 1.6445 4.1203 1.4728 0.9635 0.9656 0.9498 1.7229 0.8561 1.2470 1.0000 1.1905 0.6362 1.0450 glutamate 1.1023 0.8020 0.7254 1.1030 1.1115 0.9497 1.1185 1.1580 0.9709 1.0932 0.7936 1.0000 0.8028 0.8466 1.1813 1.0190 1.2326 0.8882 1.0548 0.9200 0.9248 1.3692 1.3039 0.8216 0.8035 0.9288 0.8752 0.8692 1.0341 1.3025 1.1161 1.2605 0.9795 glutamate, gamma-methyl ester 0.9597 1.0000 0.9773 0.9434 0.9761 0.9601 0.9714 1.1312 1.0042 1.1138 1.0852 0.9339 0.9009 0.8443 1.0359 1.0000 0.9084 0.9461 1.1929 0.9695 0.9761 1.1266 1.2115 1.0918 1.1859 1.2579 1.0988 1.1239 1.1046 1.0748 0.9352 1.0212 0.9542 glutamine 1.0153 1.1083 0.9590 1.2042 1.1896 1.0751 1.1123 1.0229 1.1312 1.0764 1.1877 0.7209 1.1931 0.6553 0.5511 0.6245 0.7167 0.7937 0.7598 0.7326 0.6002 0.4935 0.7602 1.2785 1.1807 1.2436 1.0507 0.7459 0.9929 0.9818 1.0000 1.0267 0.8053 glutamine_degradant* 4.3767 4.6882 5.9016 5.1794 1.9308 6.0987 0.5359 1.6226 1.2684 7.1835 1.7655 1.3264 1.1266 0.8381 0.7416 0.5682 0.0253 3.1981 2.4731 1.0000 0.3476 2.5774 0.2274 0.7772 1.3116 0.7090 0.4666 0.4064 0.1638 0.2198 0.1760 0.2793 0.3158 glutarate (C5-DC) 0.5422 4.7154 1.8266 0.5881 0.9381 0.6919 1.0122 0.7433 0.7256 0.7159 2.0758 3.5163 2.0421 2.0276 3.1175 0.6963 1.1000 1.0639 1.1589 1.4767 0.7654 0.9555 2.8124 0.9878 0.9716 1.8796 1.8335 1.1887 0.9223 0.8756 0.5422 0.8827 0.7442 glutathione, oxidized (GSSG) 0.8640 0.6498 0.7166 1.1207 0.9113 0.9890 0.9113 0.8679 0.8468 0.8914 0.8766 1.2555 0.5313 1.2542 1.7419 1.2356 1.4668 1.0378 1.2992 0.8967 1.3884 1.2380 1.3568 1.0000 0.6162 0.8920 1.0535 0.9762 1.2562 1.3000 1.0556 0.9600 1.0280 glutathione, reduced (GSH) 0.2813 1.6614 1.3542 0.4753 1.0507 0.6214 0.7331 0.0904 0.2187 0.8130 2.4534 5.7412 3.0297 1.0000 1.4747 0.0370 0.7255 2.2144 2.2968 3.0189 1.3611 0.4248 1.7088 0.2205 2.9650 0.7516 0.3990 0.5276 1.4822 2.1894 0.5408 0.3472 1.5846 glycerate 1.3824 1.0731 0.6801 1.2992 1.0432 1.1596 1.0879 0.8543 1.3334 1.0313 0.5663 1.2012 0.3815 0.9613 1.2676 1.1402 0.9537 1.0877 0.9101 0.7615 1.1648 1.7013 1.2015 0.7503 0.4158 0.9412 0.8652 0.8894 0.8928 1.0000 1.1205 0.7691 0.8207 glycerol 0.9238 3.2939 1.4261 0.5858 1.0704 0.6299 0.7477 1.0670 0.7617 1.3263 1.4057 1.8332 1.4732 0.8175 0.6852 0.6028 0.4963 1.1103 1.0107 0.9269 0.6533 0.6018 0.5654 1.0000 1.2118 1.2703 1.1897 1.0461 0.7499 0.8547 0.6130 1.0342 1.0979 glycerol 3-phosphate 1.1329 1.3612 1.5172 0.8458 1.0002 0.7944 0.8914 0.9957 0.9280 1.1463 1.6069 1.1325 1.0600 1.0690 0.6366 0.8973 0.9210 1.0267 0.9574 0.8285 0.8782 0.6528 0.8270 0.9014 0.9011 1.3989 1.2080 1.4266 0.9749 1.0000 1.1351 1.0160 1.0667 glycerophosphoethanolamine 0.7898 0.8554 0.8612 0.9618 0.9258 0.8385 0.9524 0.8594 0.8850 0.7328 0.9700 2.3364 0.9337 1.1116 2.0384 1.8462 1.1661 1.3556 1.5182 1.1482 1.0405 1.6116 1.3304 0.9812 1.0858 1.1125 1.1278 0.8440 1.1652 1.0000 0.8730 0.9699 1.0094 glycerophosphoglycerol 0.9396 0.8624 0.6359 0.7954 0.7447 0.7050 1.0000 0.8678 0.7080 0.7344 1.1167 1.3932 1.1330 0.9752 1.2247 1.3799 1.1287 1.0251 0.8153 0.5721 0.6194 0.9973 1.0800 0.9087 1.0195 1.0272 1.1374 1.0158 1.3722 1.3612 0.9382 1.1947 1.1222 glycerophosphoinositol* 1.0679 1.7544 1.9029 0.7543 1.1561 0.6456 1.0256 0.7967 0.8804 1.0068 1.0485 2.0887 1.0000 0.9202 1.7009 2.2795 0.9874 1.4539 1.1654 0.8124 1.0188 1.9957 0.9466 0.7207 0.4626 0.9897 1.0473 1.3789 0.7052 0.9409 0.9567 0.9311 0.8569 glycerophosphorylcholine (GPC) 0.6615 1.0386 0.7296 0.7802 0.7730 0.7373 0.8895 0.6979 0.8797 0.6398 0.8476 1.5386 1.0349 1.0023 1.2757 1.4065 0.9939 1.2894 1.4898 1.1908 1.0000 1.2904 1.1074 0.8795 1.1072 0.9371 1.1891 0.7293 1.1213 0.8206 0.8093 1.0126 1.1286 glycerophosphoserine* 0.8441 0.9807 0.9176 0.3469 0.9666 0.3928 0.3469 0.4439 0.5903 0.7179 0.7942 1.6593 0.3469 1.4258 1.3830 1.7358 1.0392 1.5281 1.4651 1.2867 1.0963 1.7845 1.0937 0.5967 0.7917 0.3469 1.3014 0.3469 1.0193 0.3469 0.7337 0.3469 0.3469 glycine 0.7183 0.7033 0.8143 0.9295 0.8912 0.8431 1.0000 0.8163 0.8539 0.8184 0.8587 1.2893 1.1963 1.0225 1.2945 1.1672 0.8258 1.0415 0.8615 0.8613 1.3027 1.1578 0.9576 1.3128 1.0867 1.0387 1.2917 1.1385 1.0024 0.8792 1.1724 1.0198 0.9459 glycochenodeoxycholate 0.3609 0.3609 0.3609 0.3609 0.3609 0.3609 0.4594 0.9356 0.6784 0.3609 0.3609 0.3609 4.2463 0.3609 0.3609 0.3609 0.3609 0.3609 0.3609 0.3609 0.3609 0.3609 0.3609 3.2200 3.2643 1.1818 1.0048 0.7294 0.3609 0.3609 0.4406 1.6063 1.0000 glycocholate 0.2925 1.3303 0.2925 0.2925 0.2925 0.2925 0.5093 0.9295 1.5348 0.2925 1.3257 0.9842 2.7141 0.2925 0.8157 1.1850 0.4671 0.7305 0.5214 0.5092 0.2925 0.4943 0.2925 2.4184 1.8621 1.4505 0.5689 0.7357 1.0158 0.2925 1.2039 1.5421 3.2557 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) 0.5889 0.9863 0.8003 0.4453 0.5688 0.5622 0.5160 0.4089 0.6700 0.8433 0.8709 3.4562 0.7527 2.2672 5.4082 5.9204 2.7130 2.7174 2.2501 1.9057 1.3325 2.9681 1.3707 0.8749 0.6792 0.5828 2.4112 2.9914 1.2652 1.0000 1.0080 0.6071 2.4413 glycosyl-N-stearoyl-sphingosine (d18:1/18:0) 0.6785 0.9838 0.4286 0.4286 0.4286 0.4286 0.4286 0.4286 0.5591 0.4286 0.4286 0.4286 0.4286 1.3537 1.8272 1.7191 0.4286 1.8464 1.0162 1.1105 0.8673 1.7085 0.4286 0.4286 0.5592 0.6473 1.3183 1.3210 0.8248 0.4286 0.5878 0.5788 1.3306 glycylleucine 1.4739 1.8854 1.7311 0.8454 1.3710 0.9512 0.9155 0.8138 0.9638 1.1314 1.1483 1.8909 0.8676 0.9637 1.2060 1.0055 0.6726 1.7393 1.2867 1.0000 0.9119 1.3298 1.4087 1.1792 0.9858 1.2783 0.9810 0.8746 0.8901 0.9976 0.8852 0.9787 1.1857 glycylvaline 1.0624 1.4680 1.0607 0.8328 1.1824 0.9821 0.9541 0.9256 0.9572 1.0534 1.0273 1.6837 0.9687 0.9262 1.2329 0.8851 0.7047 1.9851 1.1956 1.2854 1.0431 0.9506 1.5106 1.0825 1.0219 1.2409 0.9702 0.9557 0.8288 1.0000 0.8475 0.8811 0.8280 guaiacol sulfate 1.0850 1.6110 1.3565 1.0000 1.3102 1.5885 1.3520 0.9106 1.0466 1.6775 0.9852 0.4862 0.4539 0.8105 0.6432 0.4600 0.2710 0.2934 1.0598 1.2473 0.9941 1.2895 1.5921 0.8215 1.7268 2.0068 1.3090 0.8757 0.4289 0.7867 1.7943 0.4980 0.6281 guanidinoacetate 0.6156 0.9744 0.9081 0.9319 0.8694 0.8651 0.7517 0.7794 1.0355 1.0707 1.3837 1.1123 1.0121 1.5938 1.1337 1.3967 0.7910 1.5705 2.0051 1.6577 1.5451 1.3335 1.1957 0.6443 0.6347 1.0000 1.5846 0.6876 0.9286 0.4226 0.9780 0.7273 1.0467 guanine 0.6595 0.5419 1.0127 0.5452 0.6414 0.6254 0.5977 1.0249 0.7765 1.0138 0.9372 3.0216 0.4897 2.4063 1.1147 1.4012 1.7149 1.8554 1.3767 1.0000 1.5937 1.1856 1.4062 0.6118 0.9726 0.8231 0.9317 0.9408 1.3070 1.0888 0.7612 0.7181 1.2064 guanosine 1.5417 0.8044 1.3781 0.8131 0.9860 0.9986 0.7761 1.4126 0.4985 0.4755 0.9141 1.9714 0.6817 1.6694 0.9825 0.4645 1.0674 1.0016 1.5588 0.6151 1.2089 1.3107 1.0573 0.6160 1.0000 0.9670 1.2205 0.6775 1.1192 1.0372 0.7741 1.1542 1.7154 5'- GMP 0.6676 0.7313 0.3833 1.1776 1.1288 1.1008 1.0237 0.9826 0.8258 1.0943 1.0000 0.3849 0.8421 0.6781 1.6266 1.1240 1.7791 0.9420 0.9423 0.9763 1.1705 0.8549 1.9209 1.0606 0.7997 0.9953 0.7408 1.1518 1.3725 1.4853 1.2039 1.0209 0.7320 gulonate* 1.4767 1.7657 0.9185 0.8777 0.6226 0.8053 0.8519 1.0361 0.5949 1.0957 1.0928 1.9603 0.8184 1.0000 1.5123 0.9832 0.5864 0.7666 1.3375 3.1785 1.2748 2.2882 1.5528 1.7250 1.1427 0.5189 1.0868 0.7506 1.0774 0.7279 0.9294 0.4401 0.6022 heme 0.3255 0.7585 1.1299 1.3843 1.0000 1.8749 1.8968 0.6363 2.4089 1.5105 1.0199 0.1719 1.9844 0.7743 0.5451 0.3397 3.6618 0.5413 0.3050 1.4967 0.5353 0.7944 0.7194 0.3973 1.1434 1.6091 1.8131 0.9076 0.9210 0.2340 2.0861 1.2671 1.0234 heneicosapentaenoate (21:5n3) 1.5437 1.0196 0.4323 0.4323 1.0000 1.7643 0.7617 1.3454 2.5460 1.2003 0.7862 0.4323 0.4323 0.4323 0.6062 0.4323 0.8322 0.7961 0.4323 0.4323 0.4323 0.4323 0.4323 1.1947 0.4323 0.7825 0.4323 0.4323 0.4323 0.4323 0.4323 1.6710 0.9016 heptanoate (7:0) 3.2397 0.1694 1.2650 2.7104 0.8470 0.8467 1.0521 1.2835 0.1694 1.7343 0.6282 0.5120 2.1899 0.1694 1.0057 1.1339 0.7594 0.5536 0.8784 0.5917 0.6187 0.9833 0.9995 1.2308 1.0700 0.1694 1.1334 0.5508 2.1296 0.7965 0.9134 1.1277 1.0005 hexadecadienoate (16:2n6) 1.4899 0.7252 1.5049 0.8589 1.5539 1.0681 0.8367 1.3813 1.0955 0.9573 0.8788 0.9156 1.1617 0.7232 0.6096 0.5097 1.0000 0.7092 1.2085 1.0436 0.6604 0.3213 0.4311 1.7881 0.6670 1.5476 1.0304 0.7497 1.1158 0.5240 1.0449 2.2357 1.3044 hexadecanedioate (C16) 0.7877 1.5343 0.9392 0.8439 0.9114 1.1713 0.9504 1.3558 0.8494 0.8473 0.8978 1.0991 4.2303 1.1596 1.2309 0.5923 0.8427 0.7435 2.4036 0.8622 0.6070 0.9620 1.2106 1.8034 2.2166 1.3377 1.0963 1.0000 0.9992 0.8351 1.3936 1.5779 1.0536 hexadecatrienoate (16:3n3) 1.4805 0.5935 1.2232 1.2770 2.3827 1.6229 1.3896 2.0341 1.7119 1.2797 1.1580 0.7020 1.0000 0.5070 0.6484 0.4208 0.7279 0.3930 1.6865 1.6830 0.7117 0.4002 0.4184 1.8223 0.7992 1.5965 0.7255 0.5609 0.8573 0.5550 0.7976 1.0930 1.2539 hexanoylcarnitine (C6) 0.3963 0.5245 0.5094 0.9803 1.8610 2.6810 1.9641 1.4091 1.2572 1.0197 1.0539 0.3632 2.1284 0.2072 0.4686 0.3578 0.3363 0.8347 0.9981 1.1804 0.4883 0.5295 0.4645 2.7887 1.1450 2.2595 0.7073 1.5452 1.2003 1.2098 1.0075 1.0000 0.5915 hexanoyltaurine 10.2768 3.3605 3.5800 2.0213 1.1851 1.5119 0.7756 1.0520 1.2560 1.6400 1.5423 0.4463 0.3575 0.8469 1.1087 0.9480 1.5595 0.5254 0.4510 0.5623 0.4637 1.5101 0.3575 1.3157 0.9071 0.4991 0.4982 0.6816 0.4589 0.5415 0.5717 1.4386 1.6458 hippurate 1.1878 1.4405 0.7223 0.7082 0.8003 0.7701 0.9779 0.7603 0.7815 1.1305 1.3306 0.5404 0.4699 1.5610 1.0494 0.9412 0.3908 0.7215 1.3210 1.0801 1.0007 1.2308 1.8930 0.4757 1.0155 1.0000 1.1208 0.8351 0.7681 1.1343 1.4688 1.1683 0.8999 histamine 1.9917 1.0998 1.5112 1.1044 0.8502 0.8317 1.4412 1.0455 1.0000 1.4056 0.5222 0.5072 0.7462 0.8267 0.5550 0.7114 0.5622 0.6116 0.8252 0.7038 0.8363 1.7880 0.7535 1.0537 1.3429 0.8573 1.2752 0.8485 1.2672 1.0964 1.1934 2.2719 1.0947 histidine 1.0439 1.2085 1.2312 1.4120 1.0038 1.2231 0.9778 1.4087 1.0677 1.1196 0.8835 0.7128 0.6639 1.1833 0.7045 0.7511 0.6718 0.7127 0.8285 0.7424 1.1345 0.6892 0.8389 1.0937 0.7662 1.0000 1.0444 0.7148 0.9152 0.9256 1.0435 1.2499 1.0894 histidine betaine (hercynine)* 0.8630 0.3269 0.5172 0.8013 2.6536 0.6532 1.2519 2.2184 0.6208 0.8091 0.5614 0.5339 1.8648 0.8292 0.3269 0.9217 0.3269 1.0368 0.6187 0.7338 0.3587 0.3269 0.9912 1.7166 1.5120 1.3125 1.3209 1.0425 1.3597 1.4977 1.0088 2.2703 1.1612 histidine methyl ester 1.2397 1.0726 0.6693 1.0667 0.9839 1.0436 1.0523 0.6531 1.1936 0.9422 0.5624 1.0376 0.5443 1.0000 1.4044 1.2728 1.1718 1.5467 1.4792 0.7398 1.3667 1.3995 1.2494 0.9082 0.6272 0.7395 0.9720 0.8481 1.0551 0.9506 0.8763 0.8622 0.5616 homoarginine 1.0209 0.4468 0.5758 1.1060 1.2071 0.8498 0.8537 1.1307 1.0000 1.0731 1.0257 0.7754 1.6774 0.9833 0.5109 0.7754 0.5107 0.9052 0.8294 0.7836 0.8339 0.5607 1.0039 1.7068 1.4981 1.8218 1.5272 0.7258 1.4554 1.2095 1.3614 1.5622 0.6338 homocitrulline 0.4382 0.4382 0.5105 0.4382 0.4382 1.0727 0.4382 0.4382 0.4382 0.4684 0.5090 0.4382 1.1645 0.9273 0.4382 1.6656 1.9378 1.3974 0.7297 1.3868 1.3247 0.5451 0.4382 0.6938 0.4382 1.4554 1.0963 1.9726 2.3614 0.8354 0.4848 0.4382 0.7637 homostachydrine* 0.5227 0.3890 0.2174 1.4242 1.0000 0.5498 0.8024 0.5460 0.2787 0.6909 2.1552 2.9622 0.4708 3.8973 0.8101 1.0909 0.7718 1.6779 1.7951 1.5865 0.9938 1.5709 1.1290 0.4609 1.4483 1.5977 0.9395 1.2786 2.4017 1.2927 0.3293 0.7551 2.0019 hydroquinone sulfate 1.4113 1.7989 2.4142 1.2948 1.2688 1.5723 1.4319 1.2206 0.9913 1.6589 0.9418 0.4995 0.3878 0.5674 0.5014 0.3878 0.3878 0.3878 1.0004 1.7561 0.8380 0.7063 1.4747 0.3878 0.8950 0.6511 0.3878 0.3878 0.3878 0.7691 1.0000 0.3878 0.5514 hydroxy-N6,N6,N6-trimethyllysine* 1.5065 0.9338 0.8833 1.1580 1.1050 1.1636 1.0659 1.3773 1.1139 1.2910 0.7959 0.4047 1.0000 0.5069 0.6427 0.4083 0.5633 0.3995 0.6759 0.5593 0.7042 0.5922 1.1684 2.2210 1.8274 1.1915 0.8472 0.7524 1.1554 1.2483 1.0074 1.1582 0.7670 hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH)) 1.1824 0.8391 1.0192 0.8392 0.8132 0.9947 0.9807 0.8946 1.0302 1.0458 0.8748 1.9313 0.7702 0.9768 2.7850 1.2323 1.2314 1.2417 1.8464 1.7742 1.4188 3.8915 1.1115 0.8143 0.7852 0.7033 1.4234 1.0053 0.8533 0.8821 0.7732 0.7033 0.9779 hypotaurine 1.1866 1.1741 1.2763 1.4589 1.5893 1.3969 1.2136 1.0527 1.4449 1.2816 1.0205 1.0000 0.5120 0.9652 1.9359 1.2754 1.2832 0.9499 1.2363 0.8438 0.8328 1.1562 0.9799 0.6465 0.5360 0.9634 0.7680 0.6509 0.6005 0.7396 0.5374 0.6638 0.6869 hypoxanthine 1.4497 1.0863 1.5599 0.9764 1.1742 0.9711 0.9201 1.2356 0.8030 0.9976 1.2002 1.5154 0.9339 1.1936 0.9067 0.7037 0.8435 0.8573 1.0818 0.7127 1.0049 0.9403 0.9185 0.9018 1.0484 1.0752 1.1300 0.8233 1.0603 1.0467 0.8557 1.0000 1.4319 imidazole lactate 1.0444 2.1706 1.2015 1.2837 0.5151 0.9578 0.9543 0.4200 1.2168 1.0847 1.8815 0.8045 1.3897 1.0429 0.8679 1.2029 0.4200 1.1002 0.9421 0.8773 0.4200 0.4200 0.8157 1.0634 1.0000 0.8861 1.0172 0.6434 0.7426 0.8427 0.4200 1.0489 0.9298 imidazole propionate 0.9757 3.9109 0.7190 0.8350 0.3704 0.2245 0.3497 1.0000 0.8242 0.4921 2.9993 0.9492 5.2214 0.9264 0.5310 1.0504 0.2205 1.0082 1.4629 0.8662 0.6543 1.7474 2.1702 1.8022 2.4265 3.5692 2.3940 1.5999 1.1678 0.5312 0.4659 1.6409 2.5716 indoleacetate 1.5938 1.9916 0.9766 1.0000 1.0945 1.1105 1.7775 1.0721 0.8907 1.0819 0.8556 0.5726 0.5882 0.5741 0.6849 0.3302 0.4042 0.4448 0.9882 0.6389 0.4964 1.1430 1.7717 1.2703 1.1775 0.5890 0.3942 0.8216 1.5257 1.2932 1.6320 2.2020 1.7139 indoleacrylate 1.0244 1.4324 1.1907 0.7246 1.1533 1.0310 1.9668 0.9324 0.6037 0.6648 1.2036 0.1336 0.6388 1.0077 0.0837 0.2692 0.0837 0.9923 1.3975 0.7939 0.8678 1.0091 1.0259 1.1270 1.0952 1.6478 0.9373 0.3536 0.6220 0.6201 0.7917 1.2126 1.4341 indolelactate 1.0000 2.7372 1.0280 0.8799 0.9013 0.9456 1.1234 1.1355 1.0303 0.7090 1.1442 0.8884 0.8448 1.1549 0.8796 0.7180 0.7177 0.7500 1.3643 0.9797 1.6308 0.9650 1.8428 0.8315 0.9746 1.1178 0.8737 0.6753 1.6114 1.0096 1.0205 1.1408 1.8609 indolepropionate 0.9266 0.7562 0.8591 0.6824 0.8419 1.1354 1.4352 1.1084 0.7463 0.7431 1.2787 0.1974 1.0128 0.8170 0.1788 0.3638 0.0360 1.0729 1.0316 1.0105 1.2431 1.0723 1.0415 1.8272 1.7106 1.0000 0.5763 0.4355 0.8578 0.7374 1.4567 1.3082 1.5580 inosine 1.2226 1.0521 1.3242 0.9762 1.0766 1.0181 0.9920 1.0570 1.0000 1.0411 1.0037 1.0751 0.9797 0.9447 0.7761 0.6367 0.8265 0.8328 1.0571 0.7105 0.9327 0.8642 0.8361 0.6922 1.1331 1.0035 1.0631 0.7394 1.0375 1.0211 0.8533 0.9764 1.2608 inosine 5'-monophosphate (IMP) 1.4688 1.6281 0.5243 3.1581 3.1611 2.1451 2.8979 2.3095 0.9807 2.7909 1.1085 0.0557 1.0000 0.2628 0.6334 0.1794 1.0965 0.1435 0.5703 0.2784 0.9171 0.5649 0.7677 0.6494 0.7777 0.8330 1.2003 0.3981 2.4983 3.2363 2.1599 3.0564 1.4803 inositol 1-phosphate (I1P) 0.6395 2.2335 1.2159 0.6065 0.5749 0.8815 0.8988 0.7782 1.0867 1.4446 0.9435 0.7944 0.9871 1.4959 0.8592 0.8966 0.9359 1.3799 2.4240 1.1417 0.9413 1.4448 1.5737 1.3204 1.4358 1.0382 1.0000 1.3334 0.7323 1.4211 0.9457 1.3093 0.7797 isoleucine 0.9335 1.9792 1.2540 0.6998 0.7006 0.8244 0.8237 0.8318 0.7659 0.8917 1.1108 1.7446 1.0000 1.1645 1.7379 0.9869 1.3688 1.1457 1.0513 0.8848 1.0764 1.2047 1.0996 1.2450 0.8336 1.1150 1.0536 1.0516 0.9126 0.9998 0.8091 0.7878 0.7059 isoleucylglycine 0.8421 1.6090 0.9630 0.5931 1.0080 0.7524 0.9306 0.6451 0.7243 0.8106 1.0483 1.8426 1.2553 0.9280 1.7280 0.7487 1.0000 1.5890 1.3164 0.6315 1.0315 1.5276 1.4077 1.0198 1.3007 1.4489 1.0529 1.1790 0.9741 0.9870 0.8995 0.8392 0.7599 isovalerylglycine 0.5847 2.1757 0.4267 0.7328 0.4267 0.4449 0.4267 0.5001 0.6403 0.7910 1.2742 1.3402 1.1957 0.8956 1.6658 1.3871 0.4267 0.8004 0.9435 1.0346 1.0339 0.6208 1.4823 1.6144 1.3492 0.5184 1.0974 1.4359 0.8538 0.9661 1.3893 1.2798 0.6230 kynurenate 1.2095 1.6503 0.3151 0.6635 0.6159 0.6142 3.7486 11.6199 0.8224 0.6359 0.5879 0.6467 0.8820 5.8872 1.9879 0.7101 3.4541 1.1360 0.4390 1.4985 0.7945 3.0635 2.7386 0.6246 0.8881 1.3237 0.9743 2.2490 0.4686 3.3962 1.7512 1.3079 1.0000 kynurenine 0.7655 0.6937 0.3978 0.8251 0.8520 0.7211 1.3842 6.1078 0.6354 0.5211 0.8590 1.5159 1.1614 4.2008 1.7950 0.9984 3.1239 1.1546 0.6895 1.0547 0.8200 2.1490 1.4747 0.5575 1.0000 1.0507 1.1468 1.4612 0.5155 2.6030 1.5396 0.6132 0.8012 lactate 1.1103 1.6258 1.3737 0.9169 1.1080 1.0609 1.0000 0.8550 1.0360 0.9822 1.2162 1.1845 1.1747 0.9286 0.8300 0.8738 0.6472 1.5331 1.1146 0.9631 0.9651 0.8996 1.0659 1.1107 1.2925 1.2981 0.8903 1.2295 0.8760 0.9919 0.8623 0.8729 0.9797 lactobacillic acid 0.3764 1.1813 1.0393 0.4582 0.9607 0.6544 0.8391 2.2310 1.5121 0.7795 0.8135 0.8713 2.3819 1.8178 0.5186 0.5450 0.8932 0.6355 0.8610 0.7517 1.1522 0.3764 0.7351 2.3048 1.5635 1.2358 2.4453 1.0987 1.9684 0.8646 2.1365 5.2345 3.5640 laurylcarnitine (C12) 0.5617 0.1573 0.1775 0.7934 1.8129 2.5571 2.7535 1.1897 2.2590 0.7114 0.8490 0.1696 4.6255 0.2921 0.5288 0.6751 0.5950 0.9541 1.0000 3.0958 0.3970 0.4633 0.4831 6.6319 3.0140 2.1479 1.0843 1.4843 1.1510 1.2060 1.2259 1.2316 0.6792 leucine 0.9745 1.7422 1.3785 0.8627 0.8484 0.9018 0.9183 0.9523 0.8371 1.0000 1.3239 1.7297 0.9494 1.1836 1.6663 0.9346 1.4332 1.0652 1.0308 0.9443 1.0129 1.1186 1.2226 1.1939 0.8673 1.1622 1.1471 1.0768 0.8955 0.8557 0.8646 0.7484 0.7907 leucylalanine 1.3237 1.8517 1.0378 0.5735 0.6388 0.9362 0.9454 0.7179 0.8387 1.1131 1.0247 1.3955 1.3248 0.6691 1.0375 0.9670 0.5735 1.9747 0.9114 1.1852 0.8614 1.1466 1.0693 1.1220 1.3568 1.1216 0.9124 0.5735 0.8311 0.7417 0.9753 0.9554 0.5735 leucylglutamine* 1.3672 2.1755 1.0042 0.9627 1.0123 0.9703 0.7892 0.5976 1.1159 0.9961 1.0000 1.7073 0.5565 0.7209 1.6814 0.9494 0.8121 1.7222 1.3101 1.0711 1.0535 1.2435 1.4724 1.0299 0.5813 0.9755 0.7297 1.2055 0.4272 1.0116 0.7582 0.6881 0.5589 leucylglycine 1.0000 1.9970 1.0394 0.7699 0.9476 0.9745 0.9466 0.6995 1.0441 1.1637 0.8086 1.7437 0.6573 0.7810 1.3682 0.8885 1.0481 1.9851 0.9666 0.7296 1.0333 1.4772 1.2365 1.2116 0.8587 1.0906 1.0103 1.0148 0.8090 1.0047 0.9671 0.6046 0.6943 lignoceroyl sphingomyelin (d18:1/24:0) 0.7150 1.1215 0.9426 0.7921 0.7633 0.9128 0.7819 0.7240 0.9606 1.0000 1.0144 1.2378 0.9161 1.2363 0.9556 0.7770 1.3896 1.0674 1.3176 0.8238 0.7868 1.1416 1.0061 0.9212 1.1863 1.2591 1.2379 0.8533 1.1026 1.1291 1.2639 0.9287 1.4989 lignoceroylcarnitine (C24)* 0.2835 0.5240 0.3809 0.7929 1.2280 1.3770 1.2462 1.4360 1.1971 0.5205 1.2454 0.5622 2.7557 0.7135 0.4288 0.4678 0.4845 0.5407 1.0000 1.2126 0.8544 0.6580 0.9126 1.3750 2.3197 1.8728 1.4403 0.8769 1.0435 1.5596 0.9811 1.8089 1.6526 linoleate (18:2n6) 2.0478 1.3723 2.0274 0.7714 1.7915 1.0000 0.7278 1.8339 1.3713 1.1319 1.0886 1.0287 0.9892 1.0363 0.6555 0.4056 1.1139 0.6528 0.6340 0.6692 0.6741 0.3516 0.5178 1.0676 0.4891 0.9700 1.6245 0.6923 0.6442 0.4003 1.0722 2.3003 1.8668 linolenate (18:3n3 or 3n6) 2.8652 1.5642 2.0395 1.0490 2.0176 1.2532 0.8871 2.2651 1.8250 1.2972 1.2795 1.0408 0.9810 1.0016 0.7455 0.3471 1.0000 0.6174 0.8542 0.9223 0.7496 0.3391 0.5536 1.0513 0.4866 0.9569 1.4311 0.5662 0.6265 0.3149 0.9995 2.3267 1.7635 linolenoylcarnitine (C18:3)* 1.1618 0.1687 0.0457 1.4315 4.1173 3.2031 5.4675 3.0234 9.7260 1.5601 0.3439 0.0457 1.9952 0.1333 0.2396 0.1898 0.1851 0.2659 1.1209 6.5739 0.3032 0.4807 0.4275 2.0792 1.8065 1.1159 0.3346 0.3647 0.4695 1.3222 0.8841 1.3459 0.6465 linoleoyl ethanolamide 2.6458 1.1379 1.5182 0.8590 1.5271 1.2969 0.7675 1.4353 1.2959 1.0291 0.8920 1.3357 1.0391 0.8405 0.7103 0.5012 1.9929 1.0822 0.5473 0.6023 0.6924 0.6160 0.7280 1.2644 0.6072 0.7514 1.0810 0.4523 0.8116 0.4174 1.1932 2.4750 1.0000 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* 0.8155 1.0750 0.4703 0.7030 0.7835 1.1423 1.0251 0.9874 1.0000 1.0477 0.9603 1.1139 1.1978 0.9871 1.1918 0.5891 0.7459 1.0974 0.9282 0.6094 0.7115 0.5054 0.7861 1.4127 0.8950 1.2705 0.8230 1.2311 1.0623 1.7145 1.1998 1.3362 1.0018 linoleoylcarnitine (C18:2)* 1.2212 0.3197 0.2402 1.0000 3.9713 2.7863 4.5063 2.5205 6.8473 1.4109 0.5341 0.0784 2.9593 0.2218 0.2915 0.2758 0.2728 0.3054 1.4449 6.1653 0.3818 0.4566 0.3899 3.1647 2.4950 1.9722 0.6099 0.7274 0.6815 1.0999 1.0026 1.0423 0.5453 linoleoylcholine* 0.3167 1.5267 0.1746 0.9339 1.1101 0.5316 1.1528 1.0000 1.1865 0.4736 0.8055 2.6810 2.4136 0.9572 1.4985 0.6282 2.4946 0.8141 1.4808 0.3823 0.7821 0.5817 0.8288 2.0126 2.4405 1.5548 1.0506 0.5957 0.8511 1.3354 1.5742 2.4847 0.7053 lysine 0.9470 0.7339 0.8653 1.0116 1.0289 1.0000 1.1043 1.1199 1.0637 1.0465 0.8809 0.7781 1.4143 0.8042 0.6559 0.6635 0.6656 0.9255 0.7727 0.7605 0.9567 0.7688 1.0090 1.6908 1.1624 1.3504 1.0438 0.6437 1.0868 1.0053 1.2867 1.4985 0.9171 lyxonate 0.8493 0.7126 1.1571 1.0000 0.9974 0.8030 0.5100 0.5782 0.7122 0.7149 0.8958 2.0992 0.2571 1.3234 3.5513 0.8670 2.8591 1.5164 1.4246 0.4725 1.5426 1.1555 1.2126 0.5723 0.3168 1.3896 1.5320 3.9046 1.1431 0.9092 1.0311 0.4800 1.2132 malate 0.6620 1.1711 1.2845 0.9088 0.7919 1.0297 0.8829 0.8491 0.8302 0.7908 1.4491 1.4296 1.5312 1.6363 1.5291 1.2291 1.2605 1.3492 0.9560 1.0000 0.9865 0.8086 0.9572 1.4967 1.0462 1.2163 1.2244 1.2277 0.9385 0.8590 0.8672 0.7316 0.8854 maleate 0.5724 1.2521 1.3522 0.6656 0.6694 0.7970 0.3686 0.4333 0.5240 0.7105 1.2371 2.7992 0.7819 1.6832 2.2806 0.5066 1.6116 1.7833 1.3889 0.4071 1.0000 0.7920 1.0324 0.7585 0.5937 1.2620 1.1521 1.7325 1.2893 1.2648 0.7741 0.5980 1.5074 malonate 1.8249 2.0278 1.2421 1.1984 0.7348 1.0000 1.0833 0.6589 0.6620 0.9101 1.3166 1.6005 1.2061 1.1722 0.7320 1.0541 0.6833 1.1979 0.8403 0.8016 0.6791 1.0720 1.5110 0.8219 0.8939 1.1118 1.1354 1.5389 0.8582 0.5907 0.5669 0.9240 0.9968 malonylcarnitine 2.4238 1.2433 1.2136 1.6969 1.5972 1.3647 1.0725 1.3188 1.1785 0.9274 1.1570 0.5632 1.0602 0.7258 0.5407 0.6310 0.5750 0.7631 0.8282 1.1530 0.7279 0.6520 0.8728 1.4688 1.2926 0.8698 1.1534 0.6187 0.7915 1.0000 0.8159 1.1253 0.7716 maltitol/lactitol/cellobiotol/palatinol 1.0000 0.6306 1.0752 0.6960 0.7407 1.7783 1.0713 1.5948 1.0005 1.4205 0.4698 0.3679 0.6242 1.2106 0.6231 0.3767 0.8546 1.2556 1.1943 1.6100 1.0824 0.8052 1.6952 0.9213 0.6641 0.8570 0.7253 0.8557 1.3558 1.3163 1.3589 1.7322 0.7862 maltose 0.9827 1.6910 0.3373 0.7688 1.0598 1.1424 0.9096 0.9893 1.1758 1.0230 0.1336 0.1336 0.5585 0.6306 0.3013 0.4442 0.3359 1.4813 1.4868 1.6646 1.0492 1.1413 1.8162 0.4002 1.0972 0.6623 1.2701 0.1807 1.0107 0.9781 0.7090 1.1218 1.4499 maltotetraose 1.1038 2.7493 0.1646 0.8618 0.9901 0.8879 1.1433 1.0099 1.0842 1.0262 0.1646 0.1646 0.1646 0.8293 0.4002 0.6207 0.3527 1.4015 1.8452 2.5489 0.9079 1.5439 1.8364 0.2519 0.6412 0.4515 1.5232 0.2023 0.7060 1.3136 0.9231 1.1244 1.1686 maltotriose 1.2427 2.2701 0.2309 0.8436 1.2718 1.0277 1.0000 1.1243 1.0349 1.0829 0.4269 0.1867 0.3175 0.9735 0.4702 0.5248 0.5337 1.4154 1.6351 1.8465 1.0701 0.7731 1.8518 0.2936 0.9203 0.4937 1.4917 0.3111 0.8473 1.1389 0.8850 1.1598 1.5091 mannitol/sorbitol 0.3436 14.3818 2.7999 0.7468 0.9082 0.9908 0.5012 0.4375 0.4970 1.0777 1.6410 0.6157 1.0000 1.4633 0.5110 0.5385 0.7810 1.3621 1.6195 3.6032 1.9738 2.0172 3.9911 0.7921 0.7107 0.8377 0.6342 1.0459 1.2348 4.1692 1.8042 0.7468 2.7790 mannonate* 0.7412 0.8326 0.7000 0.7498 0.5731 0.5224 0.3198 0.4946 0.4624 0.8089 0.9745 1.6610 0.9040 1.4959 1.3871 1.2579 1.9442 1.6032 0.8843 1.0409 1.0379 1.5509 1.3011 1.0199 0.9107 1.1170 1.0768 1.7914 1.0463 1.1354 0.9172 0.7717 1.0000 mannose 1.2900 2.4820 0.4393 0.8010 0.9258 0.9951 0.8914 0.9302 1.0174 1.0107 0.3812 0.2246 1.0307 0.7321 0.5406 0.4777 0.3822 1.1584 1.0000 1.2031 1.2390 1.6618 1.2363 0.8997 1.3834 0.8583 1.5747 0.4998 1.0922 1.5419 1.0782 0.8465 1.2958 mannose 6-phosphate 1.3094 1.4276 0.1388 0.7535 1.1396 1.0143 0.7991 1.1251 0.9159 1.1234 0.5153 0.2033 0.5782 0.9992 0.5950 0.8748 0.9257 1.0283 1.1812 1.1070 1.0668 0.7872 1.0164 0.3067 1.0000 0.8363 1.3394 0.5726 1.0174 1.1291 0.9470 1.1503 1.1844 margarate (17:0) 1.2352 0.9834 1.0923 0.7698 1.2148 0.9969 0.9226 1.2676 1.1769 0.8970 0.8755 1.2424 1.3558 1.1802 0.8545 0.6983 1.4874 1.0823 0.8027 0.8545 1.0521 0.8531 0.9177 1.0000 0.6957 0.9916 1.3690 0.9104 1.0635 0.7153 1.4431 2.7636 1.5299 margaroylcarnitine (C17)* 0.3944 0.1972 0.2085 0.7508 2.9873 2.6182 3.7601 2.4240 3.8678 0.6739 0.9611 0.4278 4.9525 0.4351 0.4552 0.4726 0.6000 0.7405 1.3339 4.4054 0.5867 0.8976 0.8371 3.9373 2.5564 2.4734 1.0000 1.4492 1.1896 2.1758 1.5069 2.0820 0.8279 meadoylcarnitine (C20:3n9)* 0.2253 0.2253 0.2253 0.2253 0.2253 0.2253 2.5918 0.2253 0.2253 0.2253 0.8218 0.2253 7.3430 0.2253 0.2253 0.3637 0.2253 0.8203 1.4513 3.0838 0.2253 0.2253 0.2253 5.1405 2.4258 3.2601 0.5810 1.0000 0.9152 0.2253 0.8756 0.2253 0.2253 methionine 0.9803 1.0758 0.9715 1.0539 1.0525 1.0419 1.0381 1.0000 0.9399 0.9482 1.0300 1.3189 0.6835 1.2665 1.2768 0.9140 1.1456 0.9423 0.9362 0.9887 1.0956 1.0679 1.1338 0.8613 0.8015 1.0152 1.0338 0.9704 0.9101 0.9423 0.9190 1.0208 0.8680 methionine sulfoxide 0.8999 0.9448 1.1388 1.0492 1.7515 1.0646 1.3941 1.2450 1.0563 0.9124 1.0225 1.0224 0.9277 1.2044 1.1728 1.0788 0.9163 0.8245 1.0172 1.1854 1.0641 0.9053 0.9412 0.8474 0.9592 0.8424 0.9274 0.9177 0.7423 0.8108 1.0075 1.0000 0.9600 methyl glucopyranoside (alpha + beta) 1.1251 1.0120 0.3582 0.6609 1.1618 1.0122 0.9694 1.0367 0.9141 1.2395 0.6190 0.5425 0.7379 0.8623 0.8266 1.1292 1.1093 2.2271 1.3872 1.3465 1.2503 1.0698 1.7417 0.5204 0.8808 0.7301 1.0583 0.7261 0.8606 1.0000 0.8117 1.2691 0.5469 methyl-4-hydroxybenzoate sulfate 0.7248 1.0000 0.0795 0.3975 0.1166 0.1656 0.6371 0.2405 0.4137 0.8668 22.5404 11.1122 13.1405 0.4987 0.9165 1.0000 0.7999 0.3103 3.4947 6.7609 0.3819 1.8194 1.7643 6.4353 24.5249 0.7909 0.9314 3.1836 2.1167 4.1193 17.7032 1.7292 2.2137 methylmalonate (MMA) 1.2102 4.7332 2.3204 0.8516 0.5378 0.8349 0.6828 0.4981 0.6127 0.7731 2.4032 3.1539 1.4352 1.2858 1.4162 0.9385 1.0641 2.4217 0.8668 0.5540 0.8571 0.9792 1.5182 1.2417 1.4628 1.2707 1.5881 1.8239 0.6172 0.8054 0.8318 1.0000 0.7230 methylphosphate 1.3022 1.0986 0.9477 1.2545 1.3255 1.1183 0.9892 1.0131 1.2019 1.0001 0.8821 0.8057 0.8622 0.8234 0.8756 0.7281 0.7762 0.8210 1.0000 0.9958 1.2441 1.8309 1.0872 1.0398 0.9282 0.7414 1.0785 0.7695 1.0016 1.1724 0.9471 1.0124 0.9107 methylsuccinate 0.5933 1.4268 0.5385 0.9076 1.4202 1.3881 1.5050 1.3756 1.6734 0.7199 1.1195 0.7000 1.8179 0.8725 0.6816 0.5430 0.7198 0.8213 0.9762 0.7716 0.5723 1.2981 0.8953 1.7361 2.3234 1.2985 1.5283 0.9763 1.1735 1.2337 0.7219 2.2956 1.0000 myo-inositol 1.5183 1.4391 1.6412 1.2392 1.4469 1.1610 1.2034 1.2538 1.3266 1.1885 0.8604 0.8210 1.2199 0.6009 0.6838 0.6436 0.4741 0.5082 0.7520 0.8870 0.7535 0.9672 0.6694 1.5027 1.1379 0.7058 1.0000 0.4753 1.0210 1.0825 0.8752 1.2712 0.8313 myristoleate (14:1n5) 1.1462 0.6606 0.4946 0.4959 0.8855 1.2703 0.8797 1.1198 0.8908 0.6540 1.0948 1.0362 1.0605 0.9515 1.0000 0.9316 1.4746 0.9998 1.2675 1.0126 0.8852 0.4943 0.5491 3.0449 0.9748 1.4833 1.4035 1.0166 1.3469 0.7758 0.9577 1.6684 1.3335 myristoleoylcarnitine (C14:1)* 0.7175 0.1951 0.1498 0.9902 2.0643 2.7470 2.9654 1.3637 2.9414 0.8261 0.8675 0.1162 4.2354 0.2712 0.5442 0.6383 0.6135 0.7955 1.0491 2.8542 0.3620 0.4833 0.5027 7.4419 2.5441 2.0405 1.0000 1.7130 1.1552 1.2224 1.2504 1.2774 0.6795 myristoylcarnitine (C14) 0.5814 0.1740 0.1441 0.7417 2.4792 2.6896 3.3237 1.5161 3.0936 0.8459 0.7363 0.1985 5.0170 0.3191 0.5917 0.6787 0.6668 0.9375 1.2828 3.6660 0.4265 0.5550 0.4930 7.3669 2.9117 2.5025 1.0000 1.3649 1.0843 1.3227 1.2443 1.1622 0.6590 N,N,N-trimethyl-5-aminovalerate 0.7395 0.7901 0.5581 0.7132 0.6902 0.8615 0.7974 1.1776 0.5876 0.5949 1.1656 0.8822 1.8209 1.5186 0.6382 1.0936 0.6118 0.9644 2.1491 0.9141 1.5940 1.0000 1.3501 1.4348 2.7621 1.1918 1.4612 0.8961 1.7826 1.3865 0.9989 2.9605 1.7027 N,N,N-trimethyl-alanylproline betaine (TMAP) 1.1005 1.0416 1.0257 1.1663 1.1203 1.1599 1.0984 1.2260 1.2673 1.0612 1.0000 0.6333 1.3014 0.5935 0.4972 0.5470 0.7177 0.7240 0.7938 0.6742 0.6372 0.5373 0.8136 1.0895 1.2793 0.9617 0.9344 0.8146 0.9119 1.1635 0.9223 1.1829 1.1046 N,N-dimethyl-pro-pro 0.9727 0.8536 0.8361 1.0119 0.9972 1.0859 1.0237 1.0000 0.9410 1.0056 1.0276 0.8581 1.1652 0.8111 0.7272 0.6716 0.9941 0.8291 0.8947 1.0873 0.9781 2.9808 1.0536 1.1134 1.0867 0.9485 1.0775 0.9581 0.9308 1.1089 1.0070 1.0597 1.0808 N,N-dimethylalanine 0.1187 0.3671 0.3264 0.1187 0.1187 0.1187 0.7980 0.3547 0.1187 0.1187 0.1187 1.1006 0.9866 1.7130 0.2645 1.1800 0.1187 1.2062 1.0000 0.6050 0.9600 1.0708 0.4871 0.1187 1.2903 1.3345 1.2025 1.6920 2.7909 1.5018 0.2913 1.6229 0.8304 N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH)) 0.3918 0.8374 0.8461 0.7640 0.9859 0.3918 0.9883 0.3918 0.8598 0.7488 1.2510 0.9513 1.0278 1.3613 1.4031 1.1776 1.1278 0.9363 1.1700 1.1555 1.0117 1.6076 0.9846 0.3918 0.9610 1.0129 1.1711 0.7716 1.0500 1.1461 0.7051 1.1608 0.7118 N-acetyl-1-methylhistidine* 0.3274 1.6143 0.4417 0.3274 0.3274 0.3274 0.3274 0.3274 0.3274 0.3274 0.3903 1.6353 0.3274 1.8931 1.8810 1.7421 2.4718 0.8636 1.0126 0.3274 0.5377 1.1416 1.0000 0.3274 0.3274 0.7282 0.3274 1.2150 0.7295 0.7341 0.5241 0.3274 0.3274 N-acetyl-aspartyl-glutamate (NAAG) 0.4351 0.4322 0.5249 0.3583 0.5251 0.3140 0.5271 0.4085 0.3388 0.3257 0.7083 3.1386 1.0101 1.0000 1.2087 0.9233 1.8063 1.3995 1.4172 0.6576 1.8863 1.4449 1.4178 1.0647 0.6531 1.1452 1.1981 0.6917 0.9829 1.4703 1.3566 1.0529 1.1352 N-acetyl-glucosamine 1-phosphate 1.0000 0.8800 0.6931 0.5897 0.7321 0.6681 0.6604 0.7400 0.8057 0.6550 0.6920 3.1241 0.9718 1.6387 2.0153 1.6923 1.5849 1.3608 1.6364 1.4971 1.4185 3.9035 1.2716 0.8996 0.9105 0.9957 1.9038 1.4451 1.1868 1.1083 0.6779 0.9966 1.5208 N-acetyl-isoputreanine 0.6664 2.4999 0.9220 0.3467 0.3467 0.9249 1.0000 0.4983 0.4012 0.9265 0.8827 3.0256 1.1986 0.6708 2.1493 1.5996 4.8800 0.9479 1.1125 1.2074 0.3467 0.7115 1.2274 0.3467 0.3467 0.5387 1.0527 1.4415 1.1629 0.3467 0.3467 0.3467 0.3467 N-acetylalanine 1.1861 1.3728 1.1921 1.0814 0.5327 0.5399 0.9860 0.8878 0.6886 0.5647 0.6113 1.5749 1.1810 1.1065 0.8490 0.6749 0.7709 1.0560 1.1560 1.0195 0.7017 1.1634 1.2113 0.9689 0.9718 0.7330 1.1428 1.0510 0.8723 1.0936 0.9753 1.0000 1.2575 N-acetylarginine 0.9348 0.6869 0.7468 0.8940 0.9806 0.7840 1.0511 0.9446 0.8663 0.9001 0.9648 1.0528 1.2527 1.2931 0.9394 0.8369 0.9556 1.0000 1.0770 0.8542 0.9630 0.7317 1.1715 1.4075 1.4818 1.2138 1.1752 1.0846 1.0842 1.0303 1.2762 1.2278 1.1433 N-acetylasparagine 1.0212 1.2510 1.2953 0.7402 1.3501 0.6365 1.6414 1.7063 0.8016 0.8908 1.8237 0.9082 4.4542 0.7857 0.7402 1.3611 1.0000 0.6869 0.8125 1.3891 0.8403 0.9002 0.3067 1.7806 3.8048 1.0843 1.1851 0.8170 1.3300 0.3802 0.9244 1.2338 0.8141 N-acetylaspartate (NAA) 1.3576 0.6094 0.7499 1.2250 1.1754 1.1700 1.6358 1.3120 1.0660 1.0527 0.8049 0.4519 0.9903 0.7767 0.7741 0.9024 0.7045 1.1895 1.1191 1.3716 1.7608 2.2150 0.9706 1.7137 0.8428 0.8000 2.4594 0.6895 0.7432 1.2116 1.0000 0.7775 0.6000 N-acetylglucosamine 6-phosphate 0.6618 1.7998 1.2309 0.5291 0.5139 0.5233 0.4699 0.5666 0.3898 0.4987 0.9785 3.5253 0.6700 2.1422 2.1759 1.2329 1.2076 1.1569 1.4250 1.2593 1.5397 3.4240 1.0000 0.9734 0.7437 0.8668 1.8701 1.3968 0.9026 1.1285 0.6062 0.4593 1.7313 N-acetylglucosamine/N-acetylgalactosamine 0.7623 0.8218 0.6700 0.4927 0.6272 0.3036 0.5901 0.6740 0.5827 0.4589 0.9119 2.2666 0.6189 1.4616 1.5879 1.7348 1.1792 2.1604 1.4232 1.4576 1.4734 3.0710 1.5296 0.3036 0.4171 0.3036 1.6465 1.4542 1.0881 0.3036 0.3685 0.5737 1.2688 N-acetylglucosaminylasparagine 1.0374 0.7103 0.7711 0.9029 1.0000 1.0352 0.9437 0.9606 0.9553 1.1320 0.8570 2.2237 0.7911 1.5780 1.7371 1.2755 1.8521 1.6309 1.4051 1.2867 1.4875 1.4113 1.7347 0.8646 0.7647 0.7943 0.7964 0.9754 1.0425 1.2412 0.9766 0.8168 0.9348 N-acetylglutamate 0.6896 1.2047 0.6511 0.6912 0.6938 0.5163 0.6830 0.9772 0.6275 0.5057 0.8484 1.1648 0.9123 1.1156 1.3335 1.2366 1.0651 1.1224 1.1760 1.0869 0.8957 1.2582 1.0024 1.5312 0.8917 0.6462 1.2240 0.8810 1.0324 1.0000 0.9981 1.5014 1.0166 N-acetylglutamine 0.9105 1.3682 1.1671 1.1245 0.9870 0.5221 0.9103 1.3156 0.5847 0.9897 1.5559 1.0755 1.6310 1.2331 1.0804 0.9041 0.6923 0.9369 1.0000 0.8264 0.8113 0.8512 0.9810 1.5756 1.2770 1.4071 1.3795 1.4103 1.0171 0.9130 0.8092 1.1261 0.8629 N-acetylglycine 0.6454 0.7989 0.5458 0.4743 0.6147 0.7423 0.5568 0.5321 0.5609 0.4510 0.6972 1.3842 2.1768 1.0503 1.4759 1.4193 0.8847 1.4417 0.8960 0.7843 1.1561 0.8217 1.0000 3.0349 1.6943 1.1865 1.5463 1.7528 1.3147 0.9736 1.3686 1.1395 1.0668 N-acetylhistamine 2.5840 4.2571 0.7760 0.9401 1.1834 0.8489 1.0000 1.0075 0.8147 1.1535 1.6482 0.4057 0.3072 1.3398 0.7068 0.6041 0.7353 0.2755 1.3052 0.7948 0.8293 0.6406 1.7057 1.1670 0.8599 0.6691 0.9914 1.4327 2.1556 1.3244 1.5327 1.9133 2.0964 N-acetylkynurenine (2) 0.6562 1.2832 0.6029 1.2039 0.5846 1.2217 0.9641 3.6146 0.9546 0.5140 1.0391 1.8434 0.5829 2.1166 2.6291 1.8058 2.5571 1.6315 0.9685 0.7331 1.3818 0.7163 1.4602 0.6767 0.8754 1.0000 2.0940 1.5854 0.6325 1.3266 0.8129 0.4840 0.7514 N-acetylleucine 0.7168 3.0236 1.5330 1.3121 0.5715 1.1465 0.8395 0.9353 0.9679 0.7903 1.7881 1.5202 0.5715 1.0000 1.5123 0.7157 1.3271 0.6597 1.4081 0.9178 1.0794 1.2990 1.7398 0.8815 0.7440 0.9222 3.9147 0.7541 1.0454 0.6692 0.5715 1.0251 0.6925 N-acetylmethionine 1.0276 1.4444 1.7271 0.7525 1.0000 1.1563 0.5182 1.2541 0.8123 0.7048 0.9685 1.6438 0.3598 1.3015 1.0823 0.8932 0.6722 1.0931 1.5001 0.7316 1.0968 1.1284 0.9091 0.6169 0.6120 1.2090 1.3975 0.9556 1.1108 0.8403 0.6890 0.7943 1.9675 N-acetylmethionine sulfoxide 1.2250 1.3979 2.1929 0.4464 1.6008 0.9879 0.7285 1.7599 0.8084 0.6550 1.0174 1.3747 0.4993 1.6941 0.8867 0.8136 0.8609 1.0911 1.6211 1.1809 0.9318 1.1322 0.7874 0.6224 1.0000 1.0952 1.5802 0.8873 1.0368 0.5728 0.6910 0.9749 2.5833 N-acetylneuraminate 1.2640 1.3053 1.0644 1.0338 1.5862 1.0000 1.1142 1.1104 1.3036 1.3522 0.7644 0.5842 1.3185 0.5843 0.5731 0.7435 0.5813 0.8011 0.8941 1.2073 0.7546 0.9481 0.8352 1.2317 1.8024 0.6939 0.9866 0.7250 0.7226 0.6638 1.1156 1.1180 1.4312 N-acetylphenylalanine 0.5087 1.4831 0.9836 0.7555 0.6423 0.8691 1.2331 0.6635 1.0000 0.5842 1.5307 2.0193 1.5054 1.0538 1.7054 1.1284 1.0892 0.6262 1.2652 0.6880 0.7020 1.0781 1.7439 0.7604 1.1421 0.6682 1.4074 1.7274 0.9800 0.6738 0.7869 1.0769 0.8356 N-acetylputrescine 0.5483 0.5150 0.5297 0.5589 0.4252 0.3820 0.3682 0.4231 0.3682 0.3682 0.8560 1.3959 0.8242 1.3773 1.4990 1.6450 0.6700 1.2100 1.2429 2.4011 1.4465 1.2217 1.0000 0.5667 0.6689 0.8505 1.7292 2.3719 1.1161 1.3264 0.8350 1.4152 1.7919 N-acetylserine 0.9563 1.3808 1.1455 0.9665 0.8277 1.1190 1.3602 1.7656 1.1245 0.7674 1.0768 1.1438 1.1637 1.2140 1.0146 0.9200 0.9360 1.1075 0.8808 0.9721 1.0000 1.3623 0.7700 1.2712 0.9667 0.9423 0.9628 1.0593 0.9806 0.8089 0.8981 1.0468 0.9700 N-acetyltaurine 1.1060 0.5806 0.8707 1.0165 1.0103 0.7358 1.1101 1.5809 0.8556 0.6996 0.9835 0.9675 1.7470 1.0301 1.1949 2.4375 1.9318 0.8395 1.1098 1.0000 0.8656 0.6936 0.8937 1.2631 1.0882 0.6957 0.8952 1.3458 0.8211 0.8147 0.9764 2.0225 1.0468 N-acetylthreonine 0.9020 1.2229 1.4081 1.1559 0.9305 0.9402 1.0893 1.0750 0.9288 0.9505 1.1030 1.1905 1.0864 0.9346 1.1358 0.9616 0.7792 0.7493 1.1383 0.8671 0.9235 1.0309 0.8981 0.9994 0.9898 1.0805 1.0563 0.9018 1.1579 1.1068 0.7855 1.0000 1.0153 N-acetyltyrosine 0.3704 0.9719 1.0766 0.8532 0.8349 0.6017 1.0053 0.8641 0.5124 0.7577 1.1726 1.4777 0.8067 1.3566 1.3559 0.9422 0.7510 0.6203 1.4527 1.0472 1.2367 1.1050 2.0792 0.6972 1.0000 0.6528 1.7092 1.0009 1.1493 0.5557 1.4082 1.3097 0.8602 N-arachidonoyltaurine 0.9397 0.2119 0.2472 0.4928 0.8597 0.4735 0.5546 1.2472 0.9016 0.2641 0.3850 1.8445 0.9112 1.2997 1.3710 1.6053 4.9064 1.2523 0.5905 0.4985 1.0836 0.9995 1.0005 1.1619 0.2119 0.9901 1.4591 1.1143 1.0586 0.6544 1.8666 6.4965 1.0487 N-delta-acetylornithine 1.2941 0.9553 1.2858 1.0634 0.8651 1.0696 0.7268 0.7848 0.7374 0.8835 0.7398 0.8701 1.2940 0.9423 0.8269 0.9063 0.3567 0.8615 1.1566 1.0638 1.2601 0.9286 0.9318 1.6246 1.6020 1.1453 0.9519 1.3905 1.1678 1.0000 1.0145 1.3364 1.6002 N-formylmethionine 0.9271 1.7631 1.0099 1.0534 1.0370 0.7825 0.8339 0.8109 0.6233 0.7213 1.0462 1.4842 1.1380 1.1192 1.2658 0.8611 1.0369 1.1979 1.0221 0.7430 0.8776 0.7573 1.0000 0.9500 0.7544 1.2149 1.0086 1.1701 1.0501 0.9916 0.8480 0.8839 0.9337 N-glycolylneuraminate 1.3486 0.9886 1.0106 1.2952 1.0347 1.1603 1.0000 0.7901 1.0606 1.1229 0.9882 1.2748 1.0360 0.8378 0.9381 0.9157 1.0833 1.3775 0.9027 0.8765 0.9027 1.0334 0.8092 1.3106 1.0531 0.5602 1.0655 0.8662 0.9022 0.9301 0.9903 0.8938 1.1288 N-linoleoyltaurine* 1.5662 1.0818 0.9393 0.8703 1.5489 1.3160 1.1088 1.6936 1.7520 0.7831 0.7608 1.0776 1.8929 0.9566 0.9615 0.5972 2.3503 1.0000 0.8758 0.8295 0.8441 0.6442 0.8549 1.8150 0.7370 1.2608 1.2995 0.8849 0.8295 0.4464 1.4722 3.1770 1.1917 N-methyl-GABA 1.9032 1.7318 1.5533 1.6886 1.6066 1.4761 1.5983 1.4866 2.2132 2.2344 2.3502 0.7589 1.1355 0.7468 0.7032 0.7881 0.3086 0.9302 1.3552 0.9455 0.7708 1.6080 0.6088 1.1168 0.8782 1.0000 1.0444 0.6822 0.6415 0.7624 0.7844 0.8864 0.7732 N-myristoyltaurine* 0.5017 0.5017 0.5017 0.5017 0.5017 0.5017 0.7892 0.5017 0.5017 0.5017 0.5017 0.7076 1.5004 0.5017 1.1280 0.5017 3.3500 0.7004 0.5017 0.5017 0.5017 0.5017 0.5017 2.2856 0.5017 1.0000 0.8541 0.5017 0.5932 0.5017 1.3916 3.9569 0.5017 N-oleoyltaurine 1.1160 1.3276 0.4651 0.4430 1.0004 0.8399 0.6389 1.0000 1.3273 0.3690 0.5287 1.3973 1.7525 0.8703 1.2908 0.9342 3.2696 1.5638 0.7486 0.5867 0.6317 0.7752 0.7152 1.9636 0.5797 1.3052 1.3518 1.0985 0.5956 0.4710 1.2839 2.8558 1.3403 N-palmitoyl-sphingadienine (d18:2/16:0)* 0.8460 0.7809 1.0000 0.4268 0.7999 0.5439 0.4944 0.6134 0.6126 0.8881 0.9171 2.6219 0.6956 1.5547 2.6003 2.4742 1.7217 1.3973 1.4779 1.1042 1.3604 2.3187 1.0295 0.8654 0.6672 1.0490 1.2768 1.0941 1.0944 0.9761 0.7112 0.5574 1.3337 N-palmitoyl-sphinganine (d18:0/16:0) 0.4104 0.8284 0.7059 0.2611 0.3424 0.2611 0.5586 0.2611 0.4421 0.2611 1.6744 4.5725 0.6911 2.7606 2.7730 2.0573 2.0592 1.6565 1.5193 1.5872 0.9590 1.6900 1.0410 0.4665 0.8563 1.4350 1.8121 2.6562 0.7860 0.3552 0.8413 0.7058 1.2987 N-palmitoyl-sphingosine (d18:1/16:0) 0.8991 0.8680 0.9195 0.6446 0.7314 0.6395 0.8292 0.6633 0.7520 0.8997 1.0676 2.4519 0.9384 1.5484 2.4782 2.2503 1.7979 1.7504 1.6564 1.3053 1.2911 1.9428 1.1428 0.9089 0.9471 1.2111 1.4236 1.2128 1.0000 0.9521 0.9261 0.8037 1.5432 N-palmitoyltaurine 1.0818 1.0000 0.5174 0.4892 0.8383 0.7348 0.7486 1.0852 1.0994 0.4912 0.6103 1.4297 1.6029 1.0529 1.3411 0.8433 2.6416 1.4597 0.7614 0.6199 0.6905 0.6784 0.6237 1.5845 0.4710 1.2530 1.3448 1.1033 0.7835 0.4482 1.2918 2.9107 1.1763 N-stearoyl-sphingosine (d18:1/18:0)* 1.1229 1.0000 1.0942 0.7055 0.8994 0.8836 0.9716 0.7698 0.9843 1.3158 0.9989 1.3546 0.9158 1.0625 1.1898 1.0343 1.2206 1.3633 1.1084 1.0346 0.9978 1.3904 0.6788 0.9380 0.9183 1.1229 1.2586 0.9248 0.8126 1.0036 0.9781 0.8220 1.1661 N-stearoyltaurine 0.8608 1.0000 0.5355 0.5433 0.9335 0.7753 0.7834 0.9370 1.1046 0.5682 0.7708 1.6345 1.5023 1.0045 1.2836 0.8856 3.4047 1.4455 0.7733 0.7590 1.0908 1.0197 0.9338 1.2807 0.5862 1.3177 1.2879 1.0867 0.8865 0.5638 1.5540 2.9439 1.2161 N1-Methyl-2-pyridone-5-carboxamide 1.5166 1.0622 0.6064 0.8930 1.1813 0.9929 0.9784 0.9524 1.1645 1.4703 0.4986 1.7466 0.6768 1.1870 1.7535 1.1465 1.8746 0.7616 1.2977 1.4327 1.1611 1.3039 1.0000 1.2127 0.6123 1.4987 0.6885 0.9885 0.7509 0.7629 0.9695 0.8502 0.9431 1-methyladenosine 1.1349 1.4239 0.8687 0.9993 1.0492 0.9319 0.9989 0.7384 0.8885 0.8783 0.7025 1.2566 1.2093 1.4088 1.0894 1.1164 1.1474 1.1877 1.2457 0.8339 1.1218 0.9904 1.0829 1.0121 0.9292 0.8263 1.0533 1.0000 0.9868 1.0677 0.8892 0.9775 0.8485 N2-acetyllysine 0.7040 0.4401 0.5494 0.6757 0.6340 0.5019 0.5503 1.0000 0.3684 0.5310 0.8027 1.4747 1.2930 1.6605 1.1466 0.9025 0.8258 1.2597 1.1703 0.7317 1.0974 0.8630 1.1798 1.9280 1.4629 1.4033 1.1793 0.8942 1.1602 0.7582 1.4455 1.1820 1.1704 N4-acetylcytidine 0.7303 0.9266 0.4065 1.0923 0.5993 0.9061 0.5111 0.6234 0.5913 1.1661 0.7083 1.2124 2.7614 1.1657 1.0800 1.1020 1.0469 1.1349 1.2235 1.0915 0.6167 1.3882 0.9555 1.3240 1.3308 0.9022 0.6871 1.2824 1.0000 1.1244 0.9748 0.9742 0.7632 N6,N6,N6-trimethyllysine 0.7975 1.0028 0.7355 0.9858 0.8805 1.1250 1.0854 1.1272 0.6729 0.8594 0.8647 0.7992 1.0584 0.7359 0.9275 0.8320 1.1380 1.0290 1.0000 0.8891 0.9621 0.7927 1.1015 1.2527 1.2065 1.5189 0.9444 1.2369 1.2456 1.5260 1.3207 1.2417 0.8704 N6-acetyllysine 1.3896 0.8827 1.1161 1.7258 1.6029 1.2439 1.4007 1.4528 1.3824 1.6555 1.2304 0.4755 1.8070 0.6167 0.3437 0.4805 0.3346 0.7023 0.7464 0.7057 0.8611 0.7360 0.8571 1.6234 1.1822 1.4281 0.8866 0.6953 0.9940 0.9705 1.3232 1.5427 1.0000 N6-carbamoylthreonyladenosine 0.5023 1.1023 1.0110 0.7864 0.9890 0.9162 0.7674 0.7616 1.0260 0.7291 1.0801 1.8256 1.1387 1.0550 1.1343 0.7358 1.1647 1.2696 1.1637 0.7655 0.9652 1.3235 0.9788 0.8141 1.1107 1.2145 0.8246 0.7783 0.8140 0.9019 0.5023 1.1453 1.1652 N6-carboxymethyllysine 1.7826 1.3400 1.7497 1.2598 1.4101 1.3086 1.0417 1.6664 1.4337 1.7060 0.8207 0.4659 0.9978 0.6599 0.5010 0.5698 0.4926 0.6338 0.8999 0.7830 0.7354 0.7512 0.9751 0.9734 1.1717 1.0618 0.7536 0.6182 1.1692 1.4640 1.0000 1.4157 1.2610 N6-methyllysine 1.0478 0.9043 1.5330 0.7299 1.4712 0.8731 0.9361 0.9117 0.9303 1.0262 0.7196 1.0617 0.3706 1.5500 1.0892 0.8674 0.9681 1.2988 1.1610 1.3805 0.9749 1.1213 1.2051 1.0068 1.4007 0.8114 0.6683 1.5217 0.8998 0.6740 1.0329 0.7500 1.0000 N6-succinyladenosine 1.0275 2.2787 1.8593 1.1708 1.1363 1.2893 0.8019 0.6881 0.6204 0.8744 2.0305 1.0904 0.9561 1.7704 1.8445 0.6610 1.0195 1.0000 0.7634 0.6692 1.2210 1.4936 0.8483 1.7239 0.6922 0.9660 1.1321 1.0596 0.6964 0.8925 0.5353 0.3753 0.6277 nervonate (24:1n9)* 0.1504 1.2304 1.4423 0.4043 0.6541 0.5045 1.0547 0.3406 2.5211 0.0728 0.1803 0.5984 4.7447 1.9311 0.2653 1.3726 0.3660 1.9956 1.9270 2.7545 3.1723 0.1402 0.5466 0.2386 1.5701 0.1486 4.6970 0.0788 1.0000 0.0532 2.0542 5.7230 5.9226 nervonoylcarnitine (C24:1)* 0.3035 0.6900 0.3622 1.2302 2.2684 1.9746 1.2376 1.9145 1.4182 0.5041 0.9926 0.4779 6.1004 0.5006 0.4846 0.3958 0.5729 0.8163 0.8037 1.3492 0.9355 0.7085 1.5954 1.5381 1.6043 1.8146 1.4763 1.0000 0.7819 2.2215 0.9618 2.0462 1.7467 nicotinamide 1.0597 1.0804 1.0137 1.0932 1.1592 1.0589 1.0000 1.0194 0.8677 0.9566 1.0697 0.9064 1.0066 0.9900 0.9063 0.7916 0.9766 0.9633 1.0791 0.9652 0.9086 0.8498 0.9951 0.9453 0.9329 1.0140 1.0543 0.9145 1.1027 1.0560 0.9169 1.0624 1.0266 NAD+ 1.1311 0.7098 0.8825 1.9975 1.0000 1.1014 1.8565 0.9160 1.3866 1.1395 0.8323 0.5236 0.8801 0.5577 0.7485 1.1233 1.1068 0.8832 0.7122 1.1922 0.8213 0.6792 0.9937 1.5651 0.8211 1.0268 0.9504 1.2848 1.2452 1.1927 1.9148 1.2404 0.5450 nicotinamide ribonucleotide (NMN) 1.1035 0.7690 2.4260 1.5817 1.0319 1.0254 1.0129 1.2211 1.1191 0.9770 1.1040 0.7097 0.6233 0.9310 0.7336 0.9431 0.5798 0.5265 0.6753 0.9326 0.8704 0.6570 0.8000 1.2503 0.5974 0.7696 1.2688 1.1668 1.5685 1.0000 1.0744 1.2279 1.4146 nicotinamide riboside 1.3460 0.6980 3.6621 1.0941 1.0000 0.6863 0.7838 1.2459 0.8857 0.8407 0.8622 3.2325 0.8481 1.2228 0.8158 0.8009 0.6374 0.6388 1.0224 0.8903 1.1769 2.0736 0.7485 1.1784 0.6836 1.0739 1.7370 0.8025 1.2624 0.9922 1.4457 1.2627 2.0171 nisinate (24:6n3) 1.7652 2.0954 0.7350 0.5226 1.4262 1.3856 1.2741 1.3384 2.3166 1.0000 1.5280 1.4345 0.9741 0.9319 0.9281 0.5990 1.2228 0.8179 0.6578 0.5839 0.5248 0.6630 0.6628 1.5640 0.3704 1.2252 1.8485 0.8779 0.8912 0.7850 1.8422 6.4565 4.7934 nonadecanoate (19:0) 1.1322 0.8800 0.8628 0.6911 1.1574 0.9009 0.8823 1.3490 1.2509 0.8618 1.0000 1.2826 1.3121 1.4005 0.9127 0.7623 1.6394 0.9678 1.0132 0.8961 1.1500 0.9139 0.9528 1.1847 0.9358 1.0920 1.5025 0.8403 0.9956 0.7673 1.3737 2.7726 1.6707 nonanoylcarnitine (C9) 0.7675 0.9108 0.5231 0.6354 1.6906 1.3454 1.7327 1.2580 1.0002 0.8233 0.1554 0.9219 1.6757 0.7753 0.3458 0.6442 0.3486 0.9437 0.9998 1.3866 0.1554 0.7341 1.1315 2.5505 1.7074 1.5722 1.0306 0.8823 1.3624 0.5365 1.1764 1.0744 1.3925 O-methyltyrosine 0.9467 1.0000 0.7634 0.9394 0.9359 0.8817 0.9103 0.8756 0.9669 1.0150 0.7907 1.2756 0.8667 0.9925 1.4619 1.2830 1.1648 1.3659 1.3228 1.0047 1.1272 1.5810 1.2729 0.7890 0.9052 1.0515 0.9233 1.1018 1.0329 1.0176 1.1000 0.7628 0.8519 O-sulfo-L-tyrosine 0.8374 0.9408 0.6133 0.7841 0.7799 0.6012 0.5813 0.5687 0.6540 0.7495 0.6431 1.8533 0.5118 1.4864 2.4116 2.1495 1.7580 1.3111 1.4823 1.2064 1.4707 2.0793 1.7333 0.4475 0.6764 1.0247 1.0000 1.1425 1.0356 1.0329 0.9999 0.6335 1.2577 octadecenedioate (C18:1-DC) 0.4552 0.5069 0.8780 0.7827 0.9495 1.3716 1.5054 1.9154 1.4815 0.4874 0.6671 0.2960 4.0481 1.3635 0.3506 0.2256 0.2256 0.3707 1.8932 0.8264 0.7414 0.5946 1.2206 2.0359 3.6161 1.8621 1.3356 0.5707 1.8295 1.0048 0.9952 1.8019 2.2963 octanoylcarnitine (C8) 0.5622 0.2615 0.2592 1.0000 1.8085 2.7318 2.8332 1.5474 2.4095 1.0763 0.7335 0.1961 2.1830 0.2493 0.5065 0.5556 0.5584 0.8509 0.9547 1.9590 0.4259 0.5105 0.5132 4.2230 1.6656 2.0839 0.9591 1.3108 1.2264 1.2930 1.2424 1.2913 0.8300 oleate/vaccenate (18:1) 2.3486 1.6467 1.6855 0.6327 1.4029 0.8910 0.6574 1.4855 1.2206 1.0000 1.1102 1.0905 1.1373 1.0546 0.8044 0.5700 1.3373 0.8249 0.6372 0.6610 0.6370 0.4179 0.5563 1.2148 0.5234 0.9672 1.8447 0.9900 0.7392 0.5128 1.1288 2.5145 2.5042 oleoyl CoA 0.7212 0.6152 0.1670 1.2488 2.5989 2.3391 3.0952 0.9120 4.8477 1.2857 0.5829 0.1670 1.3147 0.2650 0.7339 0.6860 0.8384 0.7944 1.9986 2.2838 0.7649 0.9105 0.9096 2.4462 0.9165 2.0091 0.8770 1.2769 1.2080 1.7718 1.9983 1.0835 0.5767 oleoyl ethanolamide 1.5581 0.8425 0.7748 0.5908 0.9982 1.0087 0.7755 0.9825 1.1124 0.8675 0.8316 1.8264 1.2310 1.0632 1.3080 0.9417 3.3478 1.7895 0.6935 1.0001 0.8499 1.2625 1.0764 1.0000 0.6897 1.1892 1.3258 0.8010 0.7483 0.5649 1.2250 2.2929 0.9446 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* 0.8171 1.7741 0.5183 0.5121 0.6143 0.9490 1.1754 0.9272 1.3934 1.0230 0.9276 0.8753 1.2690 1.0480 0.9141 0.7382 0.8524 1.3860 0.8999 0.8164 0.8605 0.6297 0.6254 1.6116 1.0000 1.3803 1.1217 1.5986 1.1082 1.7264 1.1641 1.4905 1.2486 oleoyl-linoleoyl-glycerol (18:1/18:2) [1] 2.5003 2.3351 2.2016 0.6753 0.6783 0.7923 1.0000 0.5193 1.3666 0.8976 0.8081 0.5193 0.6056 1.6876 0.5850 1.3680 0.5193 0.5193 1.1097 0.7004 0.5193 0.5193 0.5193 0.5193 0.8510 0.5465 1.2663 1.4827 0.5217 0.5193 1.2050 1.2115 2.1712 oleoylcarnitine (C18:1) 1.2205 0.3766 0.1983 0.7336 3.6141 2.7502 3.5775 2.1151 5.1837 1.0540 0.6606 0.1351 2.9864 0.2902 0.3541 0.3522 0.3772 0.4814 1.4281 5.1465 0.3886 0.4953 0.4626 4.4638 2.4133 2.1135 0.8066 1.0708 0.9176 1.4954 1.0000 1.2826 0.9038 oleoylcholine 0.3859 1.9161 0.2002 0.7731 0.8999 0.4543 0.9185 0.8827 0.9160 0.3015 1.0000 3.0022 2.4820 1.0104 1.8698 0.9443 3.3454 1.0165 1.2794 0.3394 0.6208 0.5941 0.8642 2.2845 2.1110 1.7654 1.2282 0.9554 0.9477 1.5945 1.4424 2.6337 1.2037 ophthalmate 0.5820 0.7968 0.5381 0.7639 0.5422 0.5153 0.5401 0.7235 0.4683 0.4417 0.5779 2.4249 1.4653 1.2148 4.1652 2.6640 3.0983 2.8385 0.9645 0.7445 0.9963 0.8860 1.2067 1.2786 1.0979 1.2317 1.7189 1.5437 1.1484 0.8595 1.0000 1.0140 1.2038 ornithine 0.6378 1.2725 0.9961 0.7375 0.8417 0.7391 0.7950 1.0005 0.7704 0.6892 1.1893 1.8452 1.1815 1.5503 1.4748 0.7737 0.9897 1.0535 1.2959 1.3182 0.9138 0.8394 1.3137 1.0878 1.2261 1.0638 1.0000 0.9984 0.9662 0.9125 0.9932 1.0052 1.3498 orotate 0.5855 1.0000 0.7947 0.6555 0.7309 0.7260 0.6920 0.9257 0.6211 0.7643 1.3158 1.8842 1.0182 1.5632 1.8884 1.3447 1.4767 1.2528 1.0084 1.3385 1.3003 1.4046 1.2180 0.8741 0.7349 1.2211 1.0196 1.6418 0.7615 0.6867 0.8205 0.6610 0.9038 orotidine 0.9492 0.7934 0.7745 1.1084 0.8741 0.9403 0.9754 0.9539 0.8633 0.9249 1.0000 1.2727 1.4489 1.1657 1.1311 1.1673 0.9323 1.1508 1.0123 1.5904 1.1618 1.9653 1.2465 1.0179 0.9544 0.9147 1.1713 1.1070 0.8442 0.9655 0.9924 0.8767 1.1355 oxalate (ethanedioate) 1.4067 0.4796 0.8121 1.0781 0.9031 0.8682 1.8118 1.3239 1.1024 0.7709 0.8293 0.8411 1.4279 0.8975 1.1427 2.3230 1.0061 0.7868 0.7703 2.8609 1.0755 1.4835 1.0000 1.3430 1.9051 0.8506 0.9492 1.0307 0.7986 0.7247 1.1214 0.8688 0.7819 oxindolylalanine 0.6125 0.7288 1.1660 1.1998 4.0320 1.2891 1.2844 1.3160 1.0502 0.8762 0.9255 0.8824 0.8084 1.1228 1.3706 1.0000 1.5269 0.6638 0.9915 0.8763 0.9726 0.9084 1.0942 1.1107 0.7842 1.3985 1.1250 1.0559 0.8614 0.8614 1.0192 0.8457 0.5923 p-cresol glucuronide* 0.2502 0.5884 0.3107 0.8516 0.2952 0.5951 1.5779 0.3960 1.2674 0.3340 0.5712 1.9237 1.9152 1.8235 2.9920 1.3209 1.7065 1.7711 1.3482 0.4952 1.9365 2.0311 0.6512 0.4206 0.2502 1.1380 0.7758 3.1782 0.8620 1.7557 5.3355 0.8428 0.3943 palmitate (16:0) 1.4623 1.0651 1.1672 0.7600 1.0967 0.9350 0.8926 1.1228 1.1808 0.9271 0.9873 1.1482 1.1038 1.0367 0.8751 0.7429 1.3652 1.0498 0.7341 0.7964 0.8475 0.7508 0.7866 1.0486 0.6459 1.0000 1.2622 0.8974 0.8993 0.6844 1.1464 2.0167 1.3286 palmitoleate (16:1n7) 4.1805 1.7391 1.6124 0.6476 1.0793 0.8920 0.6581 0.9920 1.1813 1.0419 1.1597 1.3201 1.0588 0.9860 1.0299 0.8125 1.2877 1.0707 0.7199 0.7372 0.6617 0.6313 0.6965 1.3413 0.5697 0.9828 1.4398 0.8589 0.7759 0.6315 1.0000 2.1860 2.1936 palmitoleoylcarnitine (C16:1)* 1.2955 0.2373 0.1198 0.6136 2.1315 2.7451 2.8323 1.2739 4.4279 0.8178 0.7812 0.1239 4.8142 0.2159 0.3956 0.5152 0.4078 0.7220 1.2716 4.3638 0.3721 0.4705 0.3975 7.3968 2.9760 2.4053 0.7520 1.2183 1.0000 1.1653 1.0156 1.0215 0.9530 palmitoloelycholine 0.2326 2.2507 0.2326 0.6290 0.2326 0.2326 0.6529 0.5382 0.9903 0.2326 1.0097 2.2928 3.5284 0.7561 1.5397 0.7800 2.0948 0.8312 0.9568 0.2326 0.4208 0.3470 0.4920 2.6490 2.5669 1.7559 1.3527 0.7690 0.8819 1.6251 1.6297 3.1861 1.1828 palmitoyl CoA 0.4203 0.3322 0.1593 1.0064 1.8905 1.9396 3.2934 0.7578 4.1687 0.9415 0.3975 0.1593 1.2448 0.1593 0.8341 0.7175 1.0000 0.8048 1.5177 1.8355 0.7371 0.6893 0.8112 2.4677 0.8616 1.6532 0.6642 1.0974 1.0723 1.8078 1.8721 1.2995 0.3743 palmitoyl dihydrosphingomyelin (d18:0/16:0)* 0.7565 0.8584 0.7041 0.6776 0.5810 0.5924 0.7415 0.4634 0.8098 0.7290 0.8452 1.5132 0.8907 1.2344 1.6060 1.3784 1.2416 1.3399 1.5175 1.1686 1.0786 1.7197 1.0195 0.7768 0.9470 1.0000 1.2959 1.2022 0.9612 1.0104 1.0579 0.8527 1.4958 palmitoyl ethanolamide 1.2956 0.8445 0.8362 0.6822 0.9853 1.0510 0.8857 1.1498 1.2366 0.9203 0.8872 1.5123 1.3055 1.0267 1.0729 0.8472 2.3635 1.6003 0.7931 1.0269 0.8862 1.0000 0.8990 1.0883 0.7905 1.1464 1.2988 0.7672 0.8930 0.7038 1.2209 2.3416 0.9436 palmitoyl sphingomyelin (d18:1/16:0) 0.7788 0.8546 0.7409 0.8516 0.8136 0.7504 0.8228 0.7424 0.8041 0.8410 0.9564 1.5703 0.9660 1.1521 1.5160 1.2055 1.3747 1.3030 1.2918 1.0000 1.1355 1.5317 1.0548 0.9153 0.9167 1.0830 1.0573 1.1488 0.9978 1.1477 1.0118 0.7752 1.0417 palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]* 0.4646 0.6611 0.4138 0.5812 0.6754 1.0083 0.7683 1.0000 1.0271 0.6836 1.0955 0.3808 1.3731 1.2038 0.7379 1.5527 1.6299 0.6061 0.6264 0.4315 0.5344 0.2914 0.5149 1.9161 0.5813 1.6898 1.0263 1.2040 1.2551 1.3952 1.6534 2.3302 1.2468 palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [2]* 0.2744 1.2263 0.3585 0.4392 0.6195 1.0000 0.9133 0.8947 1.3508 1.0169 1.1502 0.5186 1.8059 0.8801 0.4143 0.6104 1.2623 1.1072 0.8190 0.4514 0.4854 0.2711 0.5423 1.6698 0.9328 2.3504 1.0883 1.0723 1.2290 1.3691 1.5230 2.1546 1.3905 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* 1.4183 2.1089 1.9701 1.0668 1.5680 1.2687 1.0083 1.4965 1.2752 1.1935 1.0000 0.7185 0.9524 1.1620 1.1095 0.5902 0.5608 0.8837 0.9347 0.8483 0.7245 0.3965 0.3227 0.7359 0.9642 1.3479 1.2848 1.2667 0.7060 0.7102 0.8426 0.7350 1.1964 palmitoylcarnitine (C16) 0.9228 0.2823 0.2257 0.8562 4.0429 3.4433 4.5663 2.3633 5.8865 1.1019 0.7513 0.2585 3.8053 0.4407 0.6738 0.6123 0.5700 0.6974 1.5430 5.9221 0.4760 0.7411 0.5694 5.4093 2.7784 2.4753 1.0000 1.2475 0.9937 1.6687 1.2440 1.4835 0.7767 palmitoylcholine 0.3934 2.1160 0.2730 0.6480 0.5869 0.5204 0.7952 0.8137 0.7948 0.3401 1.0092 3.3539 2.8219 1.1877 1.7614 1.0838 2.5007 1.1963 0.9399 0.2730 0.5961 0.7502 0.8470 2.7568 2.6502 1.9493 1.2892 0.6959 0.9908 1.5435 1.4709 2.9221 0.9033 pantetheine 0.7105 1.4603 1.0000 0.6278 1.0645 0.6898 0.8960 0.7013 1.7050 0.4854 1.0314 1.1403 2.0873 0.3933 0.3933 0.3933 0.3933 0.4278 1.0229 1.5520 1.0851 0.3933 0.3933 0.4790 1.5871 1.1984 0.6665 0.3933 0.9049 1.0188 0.7736 1.3498 0.7219 pantothenate (Vitamin B5) 1.3531 1.4238 1.3304 1.1833 1.1555 1.2098 1.0057 1.1351 1.0949 1.2443 0.9560 0.9740 0.8887 0.9526 0.9849 0.8808 1.0265 1.1403 0.9107 1.0434 0.9738 0.9234 1.0087 0.8663 0.8435 1.0690 0.9416 0.8927 0.9701 1.0000 0.9374 1.0396 0.9489 pentadecanoylcarnitine (C15)* 0.5094 0.1763 0.1620 0.8526 3.1111 3.2551 4.8396 2.8426 5.3506 0.8636 0.7633 0.2771 5.6624 0.4779 0.5020 0.5604 0.5916 0.7489 1.6408 5.6874 0.6513 0.8775 0.8126 6.1709 3.8321 2.6822 1.0000 1.2422 1.2208 2.1984 1.6357 2.2999 0.9403 phenol sulfate 0.9805 2.4904 1.6043 1.0470 1.3496 1.1801 1.7410 1.1957 1.2896 2.1946 0.6115 1.0646 0.9707 1.4597 1.0775 0.9040 0.3501 1.0000 0.5415 1.2647 0.7218 0.6758 0.9335 0.7738 1.1161 1.4063 0.7243 0.7273 0.3754 0.8027 1.5302 0.3738 0.4749 phenylacetylglycine 0.5676 1.7291 0.6748 0.7326 0.5179 0.6882 0.8962 0.7826 0.8195 1.0000 0.7653 1.7622 1.0861 2.6424 1.7170 1.1584 1.0950 1.6629 0.9388 0.7789 0.8800 0.8084 1.4064 0.6091 0.5038 1.0449 1.0228 3.0652 1.3727 1.1636 2.3303 1.9084 0.8845 phenylalanine 0.9572 1.4798 1.1146 0.8906 0.8842 0.8248 0.9606 0.8665 0.8751 0.9031 1.2581 1.8838 1.0314 1.3607 1.8319 1.0666 1.6676 1.1449 1.1079 0.8167 0.8828 1.1441 1.3594 0.9600 0.9728 1.1716 1.1712 1.1981 0.8828 1.0000 0.8369 0.9714 0.8804 phenylalanylalanine 0.6158 1.5351 1.0000 0.8232 1.0876 1.2067 0.6589 0.7053 1.0604 1.2189 0.9050 1.1967 0.6747 0.7965 1.5602 1.3686 0.8234 2.2002 1.0997 1.2649 0.8384 1.3281 1.2529 0.5063 0.4182 1.3541 0.8834 1.1039 0.7895 0.8388 0.9160 0.4182 0.4182 phenylalanylglycine 0.6383 1.4252 1.1199 0.7314 0.6660 0.7627 0.8160 0.8398 1.0531 1.0655 0.8593 1.6844 0.9402 0.8286 1.1998 1.2806 0.6944 2.1381 1.3577 1.2787 1.0000 1.8510 1.4114 1.1390 1.0723 1.3679 1.0518 0.8904 0.6789 0.5155 0.6843 0.8614 0.9267 phenyllactate (PLA) 0.9926 3.2051 1.0384 0.5472 0.5923 0.4347 0.4676 0.7655 0.4737 0.4902 1.3613 0.9850 0.9450 1.1426 1.0000 0.5497 0.6233 0.4012 1.2396 1.0613 1.4376 0.6494 1.8901 0.6662 0.7601 1.2243 1.6268 1.5129 1.9745 1.1354 1.6498 1.8327 2.2976 phosphate 1.0953 0.9656 1.2895 1.0820 1.1117 1.0780 1.1078 1.1220 0.9964 1.0463 1.1393 1.1432 1.2095 0.9888 0.9712 0.8455 0.9106 0.9466 0.8877 0.9422 0.9748 0.9111 0.9542 1.1833 1.1738 1.0781 0.9108 1.0248 1.0000 0.9623 0.9599 0.9501 1.0587 phosphoenolpyruvate (PEP) 1.0554 0.5765 0.2274 1.8195 1.8089 1.8886 2.4436 0.6905 2.2117 1.6143 0.5986 0.3380 1.1524 0.4389 1.2724 1.0380 1.1480 0.6370 1.0455 1.7036 0.8050 1.5206 1.0000 0.7665 0.5865 0.6535 0.8898 0.9902 0.7037 1.1115 1.4844 0.6192 0.6311 phosphoethanolamine (PE) 0.8192 0.6509 0.7499 0.7694 0.7833 0.8512 0.7349 0.7456 0.8150 0.6880 0.8831 2.3239 1.0469 1.3715 2.4157 1.7433 1.4118 1.3211 1.4029 1.2370 1.3693 1.4682 1.1737 0.9968 0.9241 0.8991 1.0869 1.0444 1.0000 1.1201 1.0120 0.7573 0.8878 phosphopantetheine 1.4564 4.1406 3.0286 0.6715 3.1900 1.0582 0.7837 0.4346 0.3531 1.7007 3.2607 3.7142 2.1940 0.7008 0.6844 0.0372 0.5221 0.7812 1.6749 1.6792 1.1453 0.3398 1.0000 0.3026 3.8097 0.7003 0.8763 0.3324 1.3478 1.9832 0.4246 0.7989 3.0087 phytosphingosine 1.0295 1.0157 0.7705 0.7543 0.6759 0.6961 0.8358 0.6898 0.7271 0.8756 1.1362 1.1837 1.6897 0.9724 0.8959 1.0822 0.9173 1.0000 1.1025 1.0530 0.7950 0.8236 0.6910 1.0509 1.7590 1.1591 1.0336 1.0390 0.9186 1.0321 0.7575 1.0287 1.0654 pipecolate 0.7812 0.5723 0.7047 0.7236 0.6091 0.5713 0.4919 0.5674 0.5667 0.6859 0.8153 1.3574 0.7864 1.6800 1.3087 1.4634 0.7239 1.5777 1.5026 1.2390 1.0718 1.1591 0.8268 2.1132 1.1487 1.5378 1.8847 1.4449 1.6111 0.9561 0.8379 1.5043 1.0000 prolylhydroxyproline 1.0040 0.9863 0.6922 0.5466 0.7025 0.7742 0.8042 0.5602 0.9938 0.8027 0.5416 2.1645 0.6213 1.6149 3.5436 2.2572 1.7931 1.5875 1.2319 1.0036 1.3033 2.7781 1.7229 0.6730 0.5708 1.2262 1.0968 1.4293 1.1254 0.7828 0.8238 0.4464 1.0000 proline 0.8218 1.1441 1.2306 1.3347 1.1448 0.9276 0.9479 1.0000 0.9683 1.2213 1.1924 1.3137 0.8600 1.1450 1.3734 0.8904 0.9296 0.8690 1.0717 1.0106 1.0815 0.9245 1.0659 0.7465 0.7695 1.1231 0.9441 1.1638 0.8594 0.7546 0.8784 0.7579 1.1505 prolylglycine 0.7704 0.8361 0.7924 1.0249 1.0648 0.9289 1.0269 0.8684 0.8990 0.8216 0.9885 1.0759 1.0597 0.9645 1.1213 1.0212 1.0629 1.2733 0.8950 0.8836 1.0471 0.8581 1.1308 1.1795 0.9592 1.2416 1.1104 0.9799 0.9592 1.0089 1.0000 1.1295 0.9785 propionylcarnitine (C3) 1.3474 1.7017 3.0888 1.0994 0.6886 1.1198 0.8430 0.7151 1.2088 1.1666 1.8085 0.5712 3.1731 0.7026 0.5338 0.4039 0.6469 1.3834 0.4652 0.8272 0.3670 0.4962 0.6160 1.7914 2.6685 1.0000 1.4417 1.0419 0.6948 1.1343 0.7907 1.2480 0.8262 pseudouridine 1.0794 0.9613 0.8986 0.8172 0.9542 0.8939 0.6922 0.8152 0.7539 0.9600 0.8935 1.4296 1.0532 1.3898 1.2413 1.1887 1.0443 1.2126 1.2067 1.0443 1.0168 1.2487 1.1162 1.1314 1.1450 0.8571 0.9698 1.2023 0.9606 1.0000 0.9531 0.8329 0.8792 putrescine 0.4309 0.3484 0.1401 0.1401 0.2631 0.1401 0.2118 0.3770 0.2951 0.1401 0.5592 1.0406 0.7516 0.9594 1.2521 1.1676 0.6582 1.3805 1.3540 1.8378 1.3176 1.4254 1.5556 0.4585 0.6249 0.8067 1.3565 2.3761 1.1923 1.6373 0.7530 1.1911 1.5254 pyridoxal 1.0000 0.9583 1.2977 1.2129 1.2386 1.3006 1.1624 1.2188 0.8729 1.3722 1.1472 0.8488 0.8105 1.0113 0.8942 0.4072 0.7430 0.7230 1.0674 1.5572 1.0084 1.2380 1.1670 0.9572 0.9073 0.8530 1.0045 0.7975 0.6230 0.7093 0.7810 1.3928 0.9146 pyridoxal phosphate 1.0000 0.9689 0.9491 1.4838 1.4326 0.9920 1.3502 0.9853 1.1301 1.1830 1.2578 1.0635 1.1790 1.3308 0.9823 0.9831 1.0592 1.3351 0.9561 1.5734 1.1808 0.9355 1.1906 0.8059 1.1342 0.8659 0.9953 0.9328 0.9006 0.9842 0.8839 0.9571 1.1427 pyridoxamine 1.2915 1.1133 1.5890 1.5252 1.3687 1.3368 1.0892 1.0033 1.0682 1.1137 1.1906 0.8904 0.9844 0.7692 0.6732 0.4760 0.5542 0.6378 0.9504 0.9675 1.1840 1.5881 0.9629 1.1620 0.8940 0.8287 1.0716 0.7731 0.8467 1.0000 0.8451 0.8650 1.0434 pyridoxamine phosphate 1.0715 1.0136 1.1034 1.2523 1.1524 1.1351 1.0910 1.0102 1.0620 1.0578 1.0565 0.7888 1.0076 0.8510 0.7033 0.7274 0.8209 0.9334 1.0058 0.9601 0.8974 0.6284 0.9879 0.9454 0.9963 0.9262 0.9902 0.8523 1.1163 1.0348 0.9464 1.0393 1.0000 pyridoxate 1.1501 3.8987 2.3040 0.9653 0.6455 0.6712 1.1996 0.9454 0.8107 1.2491 1.0592 0.9862 1.4199 1.6985 1.0048 0.6778 0.5002 0.7206 1.1601 0.3262 0.9616 1.0000 1.9231 0.9484 1.5050 1.2095 1.5502 1.2500 0.8300 0.7694 1.2066 0.7378 0.8292 pyrraline 1.0465 0.9923 1.2722 0.8743 0.8885 1.0097 1.0644 0.8330 0.3522 1.6901 1.9130 0.3522 0.9282 0.3522 0.3522 0.3522 0.3522 0.6378 0.6987 0.4737 0.3522 0.3522 0.3522 0.5928 1.8858 1.3019 1.1043 0.3522 0.6460 0.3522 0.3522 1.4816 1.0077 pyruvate 0.3319 0.6556 0.9670 0.2911 0.3707 0.2615 0.2704 0.2779 0.2190 0.2153 2.0904 3.7451 1.1983 1.8250 4.7366 1.4015 1.3100 2.0186 1.1659 2.0148 1.0027 0.6289 1.3485 1.4740 0.8980 0.5948 1.0000 1.6604 0.5780 1.1515 0.6852 0.4016 1.4216 quinolinate 0.4319 0.6386 0.7161 0.9547 0.9802 0.8099 0.8978 0.9078 0.4319 0.8960 0.4319 4.5837 0.5196 1.5998 5.4915 2.8061 1.7684 1.3523 1.0198 1.5016 1.3795 1.1574 1.2543 0.4319 0.5325 0.5023 1.1983 1.3236 0.5354 0.4319 0.4319 0.4319 0.4319 retinol (Vitamin A) 1.0063 1.2790 1.1092 0.7230 1.0000 0.6515 0.6304 0.9611 0.7370 0.6769 1.0868 1.5750 0.2725 1.3952 1.2433 1.1429 1.1193 1.5521 2.2067 1.1840 1.2112 1.4361 1.2176 0.8752 0.5345 1.0000 0.8960 0.9910 0.6828 0.6250 0.7814 0.6776 1.2537 ribitol 1.0349 5.4982 1.4519 1.0424 0.6214 0.9303 1.0053 0.8160 0.6075 0.7474 1.4808 2.0198 0.6345 1.2352 1.2746 0.8593 0.8779 0.9676 1.0861 0.8163 1.1614 1.4374 1.0902 1.1099 0.8138 0.9616 0.9839 0.9102 1.0649 0.9641 1.0000 0.9063 1.1086 ribonate 0.4608 0.1814 1.3110 1.0912 1.0285 0.3840 0.1814 1.2319 0.3764 1.1438 0.8808 1.6210 0.5471 0.8948 1.7325 1.0491 0.7624 1.2099 1.4581 0.4677 1.3009 0.7074 0.2761 1.1215 0.9715 0.8803 0.6991 1.5223 1.2610 1.3463 1.1487 0.8671 0.2936 ribose 1.5666 1.2172 1.7111 0.8083 1.0000 0.6830 0.9040 1.1619 0.7659 0.7708 1.0566 1.8648 1.0966 1.1409 0.8119 0.6055 0.5099 0.6516 1.0723 0.9983 1.5330 3.5165 0.9715 1.0418 0.8631 0.8714 1.2217 0.5009 1.1535 1.2862 0.9116 0.9196 1.6949 ribose 1-phosphate 1.3012 0.9004 1.3100 1.0363 1.2836 1.1323 0.8106 1.0517 1.0000 0.9387 1.0983 1.7554 1.0396 1.2150 1.1063 0.6789 0.9214 0.7980 0.9910 0.7605 0.9405 0.8965 0.9778 0.9401 1.2504 0.8805 0.9266 0.7936 1.1951 1.0305 0.7007 1.0500 1.4078 ribulose/xylulose 1.6137 1.4932 1.7664 0.8277 1.1309 0.7240 0.7036 1.0058 0.7589 1.0533 1.3172 1.5640 0.9040 1.0000 0.5863 0.3863 0.3936 0.8361 1.0101 0.9547 1.3309 2.3427 1.2079 0.5726 0.9317 1.0788 1.4298 0.6259 0.7430 1.2195 0.8738 0.8712 1.9666 ribulose/xylulose 5-phosphate 0.4788 0.7830 1.0717 0.4788 0.4788 0.4788 0.5398 1.0322 0.4966 1.0326 1.4460 1.0801 0.4788 1.3984 0.4788 0.9815 0.4788 0.7960 1.0498 0.7488 0.8694 1.0185 0.4788 0.7530 0.4788 1.0399 1.7010 0.8686 0.4788 0.4788 0.6978 0.4788 1.2054 S-(1,2-dicarboxyethyl)glutathione 0.4378 1.0670 1.9358 0.7000 0.6916 0.7102 0.1557 0.2519 0.2336 0.5691 1.5384 10.4972 0.3876 3.3912 5.3448 0.8614 2.7558 2.7764 2.0912 0.3376 2.0555 0.9308 1.6883 0.6159 0.2273 1.4087 1.0000 1.8507 1.5975 1.9067 0.9184 0.6497 1.6464 S-adenosylhomocysteine (SAH) 1.1178 0.9207 1.1042 1.1362 1.1082 0.9951 0.8521 0.9904 0.8327 1.0082 1.0818 1.3276 0.8552 1.2373 1.1638 1.1269 1.0595 1.0000 0.9648 0.7064 1.0406 1.0318 1.0094 0.9927 0.7071 0.9774 0.9848 1.2063 0.8920 0.8609 0.8667 0.9692 1.0416 S-adenosylmethionine (SAM) 0.9146 0.8115 0.8737 0.8921 0.9238 0.9618 0.9041 0.7440 0.8322 0.7891 1.0132 1.2663 0.9044 1.2360 1.1768 0.8699 1.1273 1.1999 1.0116 1.0096 1.0169 0.9680 1.2136 0.9691 0.9545 1.0000 1.0714 1.3407 1.0094 1.0535 0.9246 1.0417 1.0778 S-lactoylglutathione 1.3951 0.7559 0.9608 1.0043 1.8439 0.7390 0.9957 0.5392 0.9523 1.4616 1.9170 1.8318 2.1700 0.8444 1.2032 0.4355 0.8155 1.1089 1.4076 1.1549 1.2563 1.0783 0.9629 0.4355 2.8642 0.8116 0.9891 0.6977 0.8246 1.1961 0.9558 0.9298 1.5735 S-methylcysteine 0.2304 1.3682 0.6835 0.6544 0.4735 0.7684 0.9855 0.9619 0.4636 0.8215 1.0000 1.1839 0.7674 1.5663 1.4266 1.1785 0.8830 0.7656 1.0998 1.1901 0.8808 1.0296 0.6094 1.1517 0.5857 1.3139 1.6180 1.3699 1.0982 1.0759 1.1045 0.4281 1.1068 S-methylglutathione 0.9634 0.7314 0.6905 0.9453 0.8450 0.9254 0.6083 0.8430 0.6583 0.7154 0.8250 1.9378 0.3058 1.9013 2.3044 2.3412 1.9106 1.1132 0.9434 0.7266 1.2999 1.0868 1.2366 1.0000 0.5467 0.9320 1.0411 1.3613 1.1372 1.1800 1.0124 1.4928 1.2208 salicylate 1.7348 0.8289 0.9214 0.8999 0.6197 1.0000 0.9760 1.0763 0.6073 0.4565 4.5836 3.2048 3.7350 0.8425 0.4565 0.4565 0.5386 0.5385 2.0481 2.3056 0.4565 1.4980 1.6648 0.9738 5.3736 0.4565 0.4565 0.4565 0.5230 1.0344 1.5322 1.0067 0.8330 sarcosine 0.3802 0.7427 0.3802 1.0091 0.9909 0.3802 0.3802 0.3802 0.3802 0.9761 1.0962 1.4035 0.3802 0.9646 1.4870 1.3348 0.3802 1.0625 1.3850 0.9559 0.8967 0.3802 0.3802 0.5860 0.9699 0.3802 0.5585 1.1241 0.3802 0.3802 0.3802 1.2753 1.3672 sebacate (C10-DC) 0.8643 1.3546 1.1733 1.0361 0.9923 1.0134 1.4468 1.6542 1.0130 0.7872 0.8947 0.4786 1.3816 0.7999 0.6979 1.0000 0.7932 1.2222 0.4786 0.9465 0.4786 1.3644 0.9246 1.7649 0.9604 1.0294 0.7743 0.9659 1.0128 0.6876 0.6086 1.5445 1.3633 sedoheptulose 0.7360 0.8465 0.9828 0.5918 0.6141 1.0000 0.9139 0.8402 0.7697 1.0160 1.2113 1.4180 0.8278 1.3595 1.1129 0.9780 1.7571 1.1250 1.0806 0.5933 1.9752 1.8807 1.8275 0.9832 0.6895 0.6857 0.7080 0.8232 1.1639 1.6780 1.4400 1.1605 1.2087 sedoheptulose-7-phosphate 1.2098 0.9172 1.0603 0.6857 0.7954 0.6909 0.5069 0.9440 0.5049 0.6633 0.8028 1.8454 0.3669 1.9291 1.6097 1.4698 1.6564 1.2041 1.4973 0.6954 1.4329 1.6110 1.3214 0.5757 0.5014 0.8167 1.2103 0.8227 1.2243 1.0000 0.7919 1.0113 1.8111 serine 0.7401 0.5959 0.9296 0.9088 0.9520 0.8397 0.7755 0.9597 0.7884 1.1256 0.9178 1.0825 0.9984 1.2490 1.4805 1.1012 0.8926 1.1489 0.6693 1.1410 1.1281 0.7974 1.0659 1.0627 0.9605 1.0809 1.9042 2.5932 1.5266 0.8708 1.2063 1.0000 1.5646 serotonin 1.4489 0.6964 0.9321 1.1128 0.1664 1.2710 1.0013 1.0419 1.3387 0.7591 1.2797 0.3788 0.8239 0.4904 0.3294 0.8196 0.5586 1.1675 1.0384 0.9936 1.7451 1.0000 0.7028 1.6430 0.6019 1.1009 1.0455 0.6594 1.1584 0.6563 2.1962 1.1849 0.8704 spermidine 0.4287 0.5155 0.3442 0.4111 1.3787 0.4484 1.9490 0.9248 0.7551 0.4125 1.7292 1.1144 4.8835 1.1292 1.0000 1.3827 1.2462 1.3062 0.9486 6.4913 1.1219 1.0327 2.2326 0.9493 4.4956 0.7270 0.8856 1.1648 1.1225 0.9806 0.8784 0.9556 0.8351 spermine 0.9689 0.8845 0.6198 1.0853 7.1666 1.1860 16.3136 2.1266 1.7309 1.0666 6.0009 0.6518 84.1355 0.6473 0.6609 0.8549 0.8183 0.8873 0.8274 34.0032 0.8579 0.7259 1.7042 1.8337 62.9570 0.9595 0.9982 0.7502 1.0523 1.0000 1.0837 1.2074 0.9573 sphingadienine 1.4513 1.2095 1.4556 0.7898 1.0255 0.9213 0.7534 0.9621 0.7965 1.0845 0.9227 1.7996 0.6662 1.0456 1.3557 0.9516 1.1014 1.2397 1.1241 0.6918 1.0509 1.1794 0.9772 0.8653 0.6211 1.0000 0.8312 0.7799 0.9948 1.2738 0.9753 1.0576 1.0398 sphinganine 0.8021 1.1116 0.5420 0.5398 0.4308 0.5101 0.4726 0.6309 0.4622 0.5109 1.0260 2.1511 0.6705 1.9971 2.7224 1.8021 1.7491 1.9213 1.3054 1.0000 1.1333 1.4337 1.2096 0.8174 0.7526 1.0139 1.0919 1.4729 0.9585 0.7742 0.9053 0.7459 1.0641 sphinganine-1-phosphate 0.4307 0.4786 0.4307 1.6824 0.4880 0.7489 0.8704 0.4307 1.1313 0.5340 0.8105 0.9921 1.9331 1.0079 4.1901 2.1268 2.2582 1.8596 0.8460 2.1110 1.2725 1.3082 1.2329 0.9472 0.4307 0.9866 0.8353 2.0560 1.2341 0.8808 2.3958 0.4603 0.4453 sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)* 0.7075 0.6304 0.8428 1.0032 0.8783 0.8299 1.0440 0.8874 0.8462 0.9880 0.9262 1.3686 0.9302 1.0000 1.2682 0.9590 1.1808 1.1496 1.2709 0.9909 1.1619 1.3615 1.0976 0.7911 0.9843 1.0513 1.0449 1.1204 1.0185 1.1557 1.2124 0.7633 0.9596 sphingomyelin (d18:0/18:0, d19:0/17:0)* 0.9649 0.8690 0.7088 0.7486 0.7713 0.8068 0.7241 0.5950 0.7141 1.0000 0.9223 1.2645 1.0233 1.0747 1.5981 1.1128 1.7131 1.3775 1.4247 1.0051 0.9230 1.6592 0.7766 0.8532 0.9768 1.0302 1.2062 1.1201 0.8840 1.0763 1.0089 0.7582 1.2537 sphingomyelin (d18:0/20:0, d16:0/22:0)* 0.4391 0.9927 0.3427 0.3427 0.7699 0.3728 0.6034 0.3427 0.5129 0.5074 0.7566 1.5359 0.8332 1.4800 1.4986 1.0000 1.1334 1.0720 1.3425 1.1590 1.1008 1.4788 0.7782 0.3501 0.9397 1.2028 1.4214 1.1538 0.9360 1.0818 1.1993 0.7015 1.5200 sphingomyelin (d18:1/14:0, d16:1/16:0)* 1.3898 1.1218 1.2431 0.8839 0.7278 0.8105 0.9241 0.7167 1.1292 0.9714 1.6360 1.0297 0.8035 0.9268 1.4482 0.9434 1.1225 1.2348 1.0018 1.0751 0.8562 1.3645 0.9467 1.0956 0.8011 1.0770 1.0128 1.0000 0.6157 1.1740 0.9472 0.7382 0.8226 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) 0.7369 0.7248 0.7850 0.9082 0.9909 0.8758 1.0000 0.8316 0.8878 0.9899 0.6808 1.3384 1.1695 1.0117 1.1488 0.8623 1.1906 1.0988 1.2576 1.0495 1.1246 1.3676 0.9861 0.7697 1.0020 0.9203 1.0054 0.9513 1.0854 1.1054 1.0362 0.9878 1.0703 sphingomyelin (d18:1/18:1, d18:2/18:0) 1.0954 0.9479 0.9768 0.9389 1.1688 0.9089 0.8740 0.8624 1.0867 1.1805 0.8088 1.0623 1.1056 0.8925 1.1469 0.9461 1.0636 1.2649 1.0000 1.0234 1.0196 1.3000 0.6835 0.9135 0.8689 1.1121 0.8887 1.0275 0.9233 1.1568 1.0198 0.7976 0.7880 sphingomyelin (d18:1/19:0, d19:1/18:0)* 0.9597 1.0246 0.7981 1.2242 1.0830 1.0402 1.3247 0.8782 1.2239 1.4901 0.9710 0.8175 1.2220 0.9031 0.7171 0.7307 0.8776 1.0000 1.0410 0.9916 0.9145 0.8905 0.6682 0.8218 1.3648 1.0161 1.1719 1.1362 0.9959 1.0634 0.9682 1.0380 1.2281 sphingomyelin (d18:1/20:0, d16:1/22:0)* 1.4070 1.4844 1.0858 1.3039 1.2322 1.2123 1.2992 0.9407 1.1994 1.6639 1.2276 0.7611 1.2804 0.8441 0.7804 0.6129 0.6984 0.8872 0.9728 0.9446 0.8875 0.9079 0.6796 1.0733 1.3389 1.1762 1.2100 0.9991 0.8886 0.9708 0.9598 1.0000 1.1610 sphingomyelin (d18:1/20:1, d18:2/20:0)* 1.2478 1.0581 0.8849 1.2015 1.3693 1.0698 0.9953 1.0530 1.1107 1.3295 0.9843 0.6634 1.2114 0.7112 0.7486 0.6272 0.6410 0.8278 0.8212 1.0616 0.8969 1.0537 0.6762 1.0270 1.0778 1.1448 0.8779 1.0779 0.8550 1.0574 1.0000 0.9400 0.8355 sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* 0.8634 1.1336 0.7253 0.8058 1.1073 1.0470 0.8652 0.9184 0.9889 1.2214 1.1065 0.7275 1.2254 1.0000 0.5700 0.6891 1.0186 0.8145 0.7956 0.9917 0.8523 0.7825 0.7483 0.9753 1.5110 1.2300 1.4318 1.1623 1.1477 1.2154 1.2883 1.3943 1.5960 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* 0.9360 1.0965 0.9885 0.9531 0.9549 0.8975 0.7834 0.8237 0.8744 0.9321 1.0580 1.0066 0.9677 1.0803 0.9641 0.7921 1.0507 0.9723 0.9528 1.0376 1.0469 1.1283 0.8329 0.9365 1.0328 1.2234 1.1868 1.1897 1.0000 1.0923 1.1901 1.0326 1.3117 sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* 0.7477 0.8565 0.6503 1.0000 0.8584 0.6478 0.6877 0.8625 0.7902 0.8658 0.9129 1.4296 1.6985 1.1578 1.4311 1.3329 1.6725 1.3687 1.1548 1.2838 1.3408 1.7791 1.2423 0.9691 1.0424 1.2212 0.9367 1.5124 0.9554 0.8778 1.3680 0.8698 0.9463 sphingomyelin (d18:1/24:1, d18:2/24:0)* 0.8417 0.9741 0.8408 0.7458 0.7427 0.7004 0.7031 0.6107 0.7970 0.7957 0.9134 1.4671 0.9629 1.0266 1.3788 1.1748 1.6767 1.3344 1.1437 1.0756 1.1221 1.4225 1.0000 0.8841 1.0301 1.1041 1.1624 1.1199 0.9044 0.9536 1.1123 0.7789 1.2592 sphingomyelin (d18:2/16:0, d18:1/16:1)* 0.8034 0.7180 0.8829 0.7551 0.8759 0.6855 0.6766 0.6633 0.7659 0.8609 0.9919 1.6829 0.8747 1.2890 2.3402 1.7860 1.6514 1.5010 1.3392 1.2150 1.1711 1.5823 1.1474 0.9665 0.7951 1.1669 1.0772 1.3087 0.9060 1.0906 1.0000 0.7563 1.1005 sphingomyelin (d18:2/21:0, d16:2/23:0)* 0.8535 1.0048 0.8321 1.0000 1.1408 0.9968 0.7921 0.8607 1.0194 1.0396 1.0333 0.6649 1.1822 0.9945 0.6809 0.6419 0.8897 0.8298 0.9401 0.8857 0.9487 1.0210 0.6814 0.9181 1.3609 1.2078 1.2972 1.2965 1.1299 1.1544 1.3741 1.1661 1.3576 sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* 0.6449 0.8399 0.6613 0.6549 0.7192 0.6583 0.6416 0.6482 0.7193 0.7196 0.8421 1.1922 0.9458 1.2406 1.0271 1.0000 1.4931 1.0637 0.9488 0.9430 1.0149 1.0032 0.8384 0.7376 1.0786 1.1012 1.1810 1.2777 1.1965 1.2185 1.3335 1.2338 1.5382 sphingomyelin (d18:2/23:1)* 0.5305 0.7190 0.6317 0.7491 0.6432 0.6733 0.5280 0.6261 0.6466 0.6061 0.6736 1.3731 1.1719 1.1243 1.1444 1.2287 2.5014 1.0783 1.1033 0.8216 1.0000 1.0798 0.8747 0.7902 1.2932 1.0232 1.0361 1.4490 0.9967 0.9895 1.1774 1.1091 1.3028 sphingomyelin (d18:2/24:1, d18:1/24:2)* 0.9015 0.9272 0.8282 0.8593 0.7406 0.8651 0.7910 0.5987 0.8579 0.8952 0.8797 1.9416 1.0000 1.2712 2.0626 1.4148 2.0642 1.6893 1.4663 1.5275 1.4475 2.0753 1.1948 0.8393 0.9507 1.1037 1.2533 1.1189 0.9034 0.9522 1.1688 0.7521 1.2175 sphingomyelin (d18:2/24:2)* 0.8399 0.6855 0.7282 0.6162 0.8537 0.8381 0.6110 0.6291 1.0000 0.7724 0.7391 2.9147 0.8547 1.9109 3.3929 2.3575 3.2897 2.4131 2.0855 2.3139 2.0831 3.2880 1.9243 0.8203 0.8439 0.7333 1.0094 1.4717 1.1999 1.0572 0.8516 0.5005 1.0370 sphingosine 1.0011 1.3560 1.0591 0.7056 0.6320 0.7167 0.5286 0.7495 0.4948 0.8321 1.0371 1.6097 0.6657 1.1571 1.5950 1.1673 1.3280 1.3807 1.1961 0.5699 1.2261 1.2343 1.1032 0.7486 0.7321 1.0243 0.9096 0.9561 0.9212 1.0000 0.9160 0.8077 1.0580 sphingosine 1-phosphate 0.6545 0.4424 0.4298 1.8946 0.6294 0.8603 1.1786 0.4897 1.1895 0.7967 1.0101 0.7412 1.7218 1.0000 1.7298 1.1760 1.8052 1.4866 0.7573 1.8063 1.3416 1.0394 0.9535 0.7892 0.6498 1.3452 0.7403 1.5113 1.1640 0.8594 2.5142 0.6429 0.4403 stachydrine 0.6690 0.6212 0.3695 1.0000 0.7797 0.5615 1.0543 0.7272 0.4934 0.8774 0.8735 1.4145 0.4940 3.2632 0.6109 0.9965 0.2927 1.4276 3.0726 1.7859 1.4288 1.4825 0.8364 0.5444 1.2863 1.4410 1.0963 1.0360 2.0887 1.4853 0.4452 1.1002 1.9054 stearate (18:0) 1.0755 0.8864 0.9801 0.7518 1.0786 0.9072 0.8680 1.0000 1.0303 0.8277 0.9268 1.2265 1.1566 1.0124 0.9554 0.7440 1.4009 1.0324 0.8161 0.8704 1.0112 1.0173 0.9164 1.0229 0.7050 1.0310 1.1902 0.8378 0.8983 0.7047 1.1582 1.7586 1.1477 stearidonate (18:4n3) 1.7336 0.9767 0.8670 0.9283 1.3375 1.4071 1.1638 1.3347 1.6306 1.1352 0.7995 0.6195 1.2119 1.0565 1.0000 0.8635 0.9149 0.7203 1.3089 1.2762 0.7955 0.7868 0.7744 2.1142 0.7496 1.5897 1.8633 0.6975 0.9504 0.6338 0.9976 1.7441 1.6700 stearoyl ethanolamide 1.1258 1.2695 1.0372 0.9542 1.0162 0.9862 0.9481 1.0000 0.9345 1.1246 0.9529 1.1287 1.0658 0.9726 1.0834 0.9658 0.9105 1.1087 1.0404 1.0309 0.8743 0.8827 0.9481 1.0154 0.9662 1.0104 1.1689 0.8994 0.9255 1.0711 0.9669 1.0006 0.9339 stearoyl sphingomyelin (d18:1/18:0) 0.9914 0.9289 0.8505 1.0090 1.1195 1.0305 0.9916 0.9548 1.0975 1.1440 0.9010 1.0537 1.1509 0.8474 1.0413 0.8015 1.2024 1.1537 1.0768 0.9419 1.0000 1.2298 0.8649 0.9455 1.0031 1.1499 0.9916 1.0692 0.8564 1.1596 0.9227 0.8879 0.9298 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* 0.5793 1.1042 0.9584 0.6878 0.7307 1.0000 1.0125 0.8010 1.3700 0.9824 0.7970 1.0572 1.0993 1.3093 0.6613 0.9469 1.6238 1.5234 1.7431 1.0188 1.1050 1.0701 0.7481 0.7556 1.6838 1.3689 0.8793 0.9339 0.8868 0.9106 1.1473 0.8025 1.0340 stearoylcarnitine (C18) 0.7551 0.5854 0.5670 0.7644 2.4418 1.9488 2.4098 1.5741 2.7399 1.0000 0.9804 0.5980 3.7852 0.5387 0.5039 0.4368 0.6932 0.9359 1.0501 2.8150 0.5817 0.7211 0.7467 3.4801 2.0382 2.3858 0.9405 1.2736 1.1092 1.8408 1.2431 1.5422 0.7344 succinate 0.6652 0.9870 1.5890 0.2884 0.7459 0.5011 0.4439 0.5977 0.6044 0.7688 1.4862 2.1036 1.0718 1.5051 0.8058 0.7581 1.0485 1.7477 1.0000 1.1345 1.0631 0.5357 0.7784 1.1828 1.3765 1.5249 1.3952 1.3742 0.9932 0.9483 0.8148 1.0011 1.0846 succinoyltaurine 1.1161 1.3196 0.8664 1.3973 0.7272 1.1178 0.8116 0.7148 0.9370 0.9899 0.7109 0.9464 0.5340 1.0367 1.4294 0.8782 1.4722 1.3750 0.9216 0.8258 1.0830 1.0000 1.1904 0.9133 0.4940 1.0230 0.9781 1.3713 1.1135 1.1707 1.3142 1.4704 0.8175 succinylcarnitine (C4-DC) 1.0681 1.3731 1.0749 1.1640 1.0235 1.0653 1.2050 1.0205 1.0192 1.3776 0.9730 0.4526 1.0232 0.6109 0.4319 0.4900 0.5211 0.7036 0.6375 1.0000 0.8437 0.4333 0.6659 1.2049 0.7569 0.7580 1.1828 0.6382 1.0041 1.0295 0.9745 1.3989 0.9079 sucrose 0.3220 0.3220 0.6013 0.3220 0.3220 0.3220 0.3220 0.3220 0.3818 0.7271 0.5651 2.4182 34.0238 1.1140 1.0000 2.9388 0.6932 0.8073 0.3220 1.6608 0.3220 5.1790 1.1999 0.8919 1.6694 0.7973 1.0576 1.1028 0.3220 0.4535 0.6299 2.8799 0.3220 sulfate* 0.8497 1.0159 1.0000 0.9341 0.8542 0.9660 0.8770 0.7837 0.9398 0.8703 0.9449 1.0902 1.0340 1.0573 0.9342 0.7695 0.8728 1.0877 1.0171 0.9650 1.0513 1.2725 1.1878 0.8826 1.0910 1.0739 1.1033 1.2160 1.1560 0.9492 1.1314 0.8002 1.2240 tartronate (hydroxymalonate) 1.2840 0.9637 0.7213 1.6035 0.9344 1.3875 0.7389 0.8604 1.4949 1.1063 0.3590 0.7898 0.0681 0.8895 1.3036 0.5379 0.9028 1.2013 0.9618 0.2668 1.2937 1.8030 1.1227 0.4746 0.0681 1.2433 1.0117 1.0606 1.0228 0.9883 1.1921 0.7051 1.0582 taurine 1.0226 0.9295 0.8816 1.0982 1.0825 0.9979 1.0005 0.9847 1.0242 0.9849 0.9056 1.2225 0.8929 1.0006 1.0737 0.9429 1.1445 1.0144 1.0845 0.9357 1.0930 1.0234 1.1692 0.9860 0.9302 0.9856 0.8778 1.0469 0.9609 1.0812 0.9991 1.0000 0.9580 taurocholate 0.6363 7.1741 0.8013 0.5105 0.6782 0.9692 0.4965 0.4659 1.0000 0.9230 3.4526 2.5936 1.0749 4.2216 3.0730 0.8330 7.2977 2.5474 1.1933 1.4367 1.7048 0.9501 1.2070 2.9412 0.5733 0.6747 0.5401 1.1332 0.4103 0.3639 1.1993 0.5327 2.2804 taurocyamine 1.4150 2.0392 1.5632 1.6923 1.0659 1.7310 0.6062 0.7903 1.0000 1.7121 0.7780 1.5490 0.5834 1.2469 1.2044 1.0376 0.9972 1.3084 1.2641 0.7627 0.6608 1.1068 0.6701 0.4242 1.1425 0.9687 0.5570 1.0374 0.4715 0.6440 0.4728 0.3125 0.6578 taurohyodeoxycholic acid 0.5040 9.8012 1.5715 0.3630 0.3630 1.3210 0.4647 0.6014 0.7948 0.6307 2.4273 3.0168 1.3706 0.6547 5.9982 1.2487 7.2897 0.3630 1.0000 0.5819 0.7556 0.3630 0.6869 2.1968 0.8346 0.3630 0.3630 0.3630 0.3630 0.3630 0.3630 0.3630 1.6158 tetracosadienoylcarnitine (C24:2)* 0.4786 0.4194 0.7124 0.6246 1.5837 1.0892 1.0757 1.1713 1.1033 0.5957 1.1331 1.4822 4.2788 0.8085 0.8914 0.6809 0.9563 1.4775 1.2124 1.0185 0.5624 0.7518 0.8555 1.3156 1.1959 3.5158 0.7856 2.0554 1.0000 1.3392 0.7523 0.9034 0.5939 tetradecadienoate (14:2)* 0.5048 0.6503 0.3795 0.8450 1.2397 1.3642 1.2152 1.4141 1.0882 0.6418 1.1194 0.8944 1.0000 0.8767 1.1158 0.8123 1.4439 0.7575 1.4088 1.2605 0.8131 0.4944 0.4885 2.8178 0.9958 1.5366 1.2456 0.9657 1.4835 0.7321 0.8259 1.2150 1.1421 thiamin (Vitamin B1) 1.5904 1.0610 1.6410 1.5657 1.5676 0.8570 0.6514 0.8930 0.6543 0.9630 1.1695 1.8830 1.0806 2.3659 0.9552 0.8291 1.0403 0.9450 1.0000 0.8327 1.3870 1.6024 1.6007 0.7120 0.9016 0.8213 1.5328 0.8298 0.8969 0.9740 0.9487 1.0407 1.4560 thiamin diphosphate 0.8383 1.4583 0.9545 1.1842 1.0000 0.8648 1.3348 0.7028 1.2820 1.2100 0.8895 0.6695 0.8534 0.8145 0.6259 1.0344 0.8890 1.3077 1.3310 0.8380 1.0387 0.6016 0.9401 0.7043 0.9438 1.1216 1.2132 0.9319 1.4636 1.3279 1.5511 1.9825 1.3543 thiamin monophosphate 1.4571 1.0000 1.3556 1.5186 1.5962 1.0230 0.7077 1.2549 0.6841 1.1204 1.1195 1.7811 1.1502 1.6543 1.0026 0.6048 0.8660 0.9492 0.9064 0.6811 0.9484 0.6460 1.0704 0.6368 0.7871 0.8227 1.1908 0.8002 0.9267 0.8755 0.8014 1.2669 1.5354 thioproline 0.4279 0.8719 2.3080 0.4144 5.4232 0.5141 6.7503 3.4579 2.1352 0.4079 6.2844 3.6658 5.4882 0.8267 0.7578 2.0854 0.7097 1.0455 0.7723 8.1789 1.6653 1.0214 4.5914 5.2376 5.7587 0.7106 1.0000 0.9052 0.7800 0.6294 0.4919 0.5988 0.8482 threonate 1.0345 1.0316 0.8568 0.9364 0.8352 0.8694 0.8014 0.9003 0.8139 0.7109 0.6952 1.1947 0.4469 1.0977 1.2220 1.4124 0.9951 1.1138 0.9679 1.0000 1.1319 1.2479 1.1920 1.0250 0.6143 1.1675 0.9770 1.0280 1.0110 1.0253 1.0191 0.7574 0.9705 threonine 0.9139 1.0294 0.9759 0.8858 1.0000 1.0246 0.9978 1.0229 0.9749 0.8673 1.0923 1.3392 1.1152 1.1827 1.4260 0.8312 0.8245 0.8885 0.8426 0.8222 0.8863 0.8778 1.1448 1.3942 0.9423 1.1683 1.2875 1.0665 1.1889 1.3042 0.9331 1.2390 0.9562 thymidine 1.0367 0.9781 0.7045 0.9661 0.9001 0.9016 0.6904 0.9975 0.7346 0.8468 0.9471 1.4680 0.6981 1.2842 1.5592 1.2681 1.6299 1.0046 1.3703 0.9706 1.1358 1.5595 1.1826 0.9361 0.8428 0.9405 1.1311 1.2050 1.5208 1.1483 1.0000 1.2684 0.9293 TMP 0.2585 0.2585 0.2585 0.6531 0.2585 0.3501 0.2585 0.2585 0.2585 0.2585 0.5589 0.7601 1.0050 1.2945 4.1593 3.0533 2.3230 2.6520 0.9950 1.2339 1.6069 2.2602 1.8034 0.6361 0.6342 0.4212 0.7133 1.2954 1.3564 0.4475 0.2585 0.2585 0.4337 thymine 0.4836 1.9917 1.3707 0.6357 0.6714 1.4566 0.7576 0.4313 0.6433 0.7266 1.5929 3.3760 1.2635 1.6314 1.8562 1.7534 2.0021 1.0326 1.0000 1.1749 0.5853 1.8117 1.1002 0.7033 0.3251 0.7465 0.4487 1.5005 0.7149 0.7634 0.5068 1.7954 0.6932 tiglyl carnitine (C5) 0.8218 1.5677 2.4960 0.5710 0.7586 0.8682 0.6245 0.6036 0.3470 0.8284 1.9145 2.6513 1.8357 1.0181 2.0091 1.2129 2.4568 2.1155 1.0333 1.0000 0.7761 0.6056 1.1338 1.5725 1.1371 1.4798 0.8233 1.3513 0.8661 0.4108 0.6509 0.6799 0.6746 hydroxyproline 1.2028 0.8351 1.0000 1.0612 0.9079 1.0746 0.7709 0.8445 0.8566 1.1277 0.8024 1.4421 0.8849 1.2822 1.2060 1.0813 0.9186 1.2514 0.8066 0.9116 1.0212 1.3324 1.1014 0.7575 0.7853 0.9488 1.2388 1.4686 1.0720 0.8919 0.9983 0.8732 1.2099 tricosanoyl sphingomyelin (d18:1/23:0)* 0.6672 0.9487 0.6761 0.9040 0.8280 0.8427 0.9300 0.6556 0.9662 0.8804 1.0593 1.3136 1.1802 1.3682 1.0515 0.7999 1.9111 0.9417 1.2542 0.7985 1.0000 0.8721 0.9005 0.8361 1.3784 1.2824 1.3965 1.4469 1.2846 1.4213 1.3176 1.1227 1.8542 trigonelline (N'-methylnicotinate) 1.0801 0.9895 1.0195 1.1339 1.2464 0.9286 1.1737 0.9393 0.7995 1.3976 1.3524 0.9763 0.4968 2.0507 0.4900 0.6158 0.1454 1.0397 2.2828 1.7200 1.3752 0.9916 0.8347 0.5817 1.0000 1.3506 0.9684 0.9013 1.3574 1.2830 0.6349 0.9727 1.3448 trimethylamine N-oxide 1.0527 1.0056 0.5353 0.8428 0.8172 0.8443 1.0058 0.8620 0.8355 0.9503 0.8419 0.9191 1.1898 1.1227 0.6884 1.1502 0.6914 0.9748 1.5118 1.0489 0.9027 1.0653 1.3868 1.2509 1.4048 1.0000 0.9756 0.9338 0.7838 1.2114 1.5669 1.5775 1.0977 tryptophan 0.7738 1.0084 1.1841 1.0454 0.9704 1.1362 1.1042 0.9069 0.9378 0.8738 1.0210 1.5829 0.6620 1.1563 1.1991 0.8659 1.1060 0.8378 1.1884 0.7974 1.0542 0.9636 1.1717 1.0753 0.6426 1.2108 1.0727 1.0000 0.8645 0.8883 0.8122 0.8544 0.6550 tyrosine 0.7363 1.3739 0.9950 0.8904 1.1375 0.7431 1.0000 0.9295 0.9268 0.9088 1.0692 1.8165 0.7758 1.2981 1.3658 0.9340 1.3709 0.9655 1.1349 0.9141 1.0024 1.0566 1.4563 0.8640 0.9636 1.0180 1.1470 1.0807 0.9150 0.8720 1.0101 1.0893 0.8944 tyrosylglycine 0.7349 1.2826 1.2247 0.6830 1.0000 0.9493 0.7547 0.5054 0.8391 0.7930 0.9806 1.9850 1.1418 1.1423 1.7968 1.2937 1.0334 1.4502 1.6155 0.8789 1.3195 1.5741 1.2771 1.3413 0.9693 1.7323 1.2385 0.8919 0.8390 0.7662 0.6539 0.6750 0.8104 UDP-glucose/UDP-galactose 0.4160 0.2453 1.8287 1.2874 0.4567 0.7450 1.5935 0.6323 1.3969 0.4987 0.6681 1.6823 1.1449 0.6039 1.4073 1.9060 1.1433 0.7002 0.8923 1.0750 0.9891 1.0000 0.7491 2.0626 0.7150 1.1636 0.9457 1.0907 1.0309 0.6413 1.1099 1.0527 0.1197 UDP-glucuronate 0.4219 0.4824 0.5005 0.4988 0.5844 0.5244 0.6299 0.4099 0.6789 0.5649 0.6947 1.8175 0.5219 1.8289 3.8506 2.6638 2.4617 2.1906 2.0978 1.7810 1.7295 2.3555 1.8923 0.4744 0.4235 1.0535 1.4699 1.7457 1.2523 1.0000 0.9052 0.4717 1.0629 UDP-N-acetylglucosamine/galactosamine 0.7329 0.4126 0.5699 0.9391 0.9963 0.9775 0.6590 0.6792 0.9167 0.5722 0.8007 2.3480 0.7428 1.6594 2.7789 1.5315 2.0070 1.6422 1.3813 1.6664 1.5738 2.1967 1.9189 0.8253 1.0000 0.6843 1.1951 1.2933 1.6849 1.0642 0.9350 0.9554 1.2716 uracil 1.1012 2.0776 1.4666 0.7981 1.0000 0.9061 0.7615 0.7763 0.9746 0.7298 1.3533 2.5326 1.3331 1.2419 1.1404 0.6650 0.7742 1.3245 0.8643 0.9666 0.9679 1.3624 0.8086 1.0202 1.0514 1.1003 1.3391 1.5759 0.8763 0.7704 0.6947 0.7691 1.7268 urate 0.5796 3.9223 1.0000 0.6132 0.5665 0.6289 0.5383 0.6268 0.4441 0.5610 1.7976 2.6995 1.1546 1.6641 2.8021 1.1734 1.5868 1.2933 0.8747 0.7987 1.0050 1.4369 1.3275 1.0025 0.6144 1.0744 1.3556 1.4363 0.7343 0.6365 0.6818 0.4917 0.7041 urea 1.0682 0.8539 1.0092 0.7749 0.7708 0.7124 0.9129 0.8405 0.7187 0.9229 0.7379 1.4120 0.9473 1.2324 1.1395 1.0000 1.4171 0.9214 1.2955 1.0607 0.8434 1.0745 1.0338 1.0941 0.9554 1.0226 0.7493 1.0226 0.9843 1.2094 1.3616 1.0663 0.8048 uridine 1.0000 0.9618 0.7378 0.8681 0.9777 0.8352 0.8552 0.9693 0.8415 0.9160 0.7086 1.1151 0.6731 1.2428 1.1512 1.1406 1.0077 1.2143 1.2340 0.9249 1.1898 1.5736 1.0524 0.6317 0.7923 0.9310 1.3413 1.1959 1.1023 1.0955 0.8828 1.1125 1.2298 uridine 5'-diphosphate (UDP) 0.6245 0.4086 0.1381 0.8981 0.5358 1.0084 1.4547 0.4137 1.5794 0.8385 0.3095 0.5618 0.6450 0.5396 1.6659 4.0012 2.9555 1.4734 1.0996 1.5897 1.4040 1.3784 1.3277 0.6543 0.4859 0.7306 1.0000 1.9347 1.1188 1.0574 1.6967 0.9322 0.6649 UMP 0.3277 0.6153 0.1892 1.0875 0.8496 0.9181 0.8481 0.6840 1.0109 0.6242 0.4464 0.3901 0.8657 1.0000 2.8619 2.3497 2.0741 1.7818 1.0606 1.5442 1.5613 1.8426 2.3241 0.8186 0.7079 0.8295 1.0217 1.7697 1.4540 1.1277 1.1958 0.9738 0.6261 uridine 5'-triphosphate (UTP) 1.0816 0.3231 0.3231 0.5572 0.5605 1.1559 1.3461 0.3789 1.4112 0.9982 0.3231 0.3231 0.3767 0.3231 1.2925 3.2115 2.1575 0.8907 1.2194 1.6308 0.6841 1.1572 1.0000 0.3231 0.3231 0.4494 1.0106 1.5985 0.7595 0.7521 1.5517 0.4646 0.8187 valine 0.9715 1.8070 1.0749 0.7124 0.7424 0.8485 0.8698 0.8279 0.8187 0.9336 1.0677 1.8886 0.9362 1.1943 1.7563 1.0333 1.5526 1.0657 1.0129 0.9157 1.0000 1.2670 1.1868 1.2680 0.8512 1.1433 1.0631 1.0750 0.9056 0.9722 0.8416 0.8308 0.6929 valylglutamine 1.0742 4.0366 1.4146 0.3488 0.3488 0.9590 0.8402 0.3488 0.8191 0.3488 1.7510 1.7917 0.3488 0.9282 0.9906 1.0106 0.3488 2.4660 0.3488 0.3488 0.3488 0.3488 0.8612 1.1477 1.0000 1.7207 0.9933 0.3488 0.7497 0.4471 1.0049 0.3488 0.3488 valylglycine 0.7172 2.0522 1.3954 0.7154 1.0038 0.8184 0.8083 0.3784 0.8951 1.0128 1.0175 2.0660 0.8765 0.7784 1.6464 1.1251 0.7555 2.6282 1.2020 1.1229 0.9047 1.1686 1.4679 1.3502 1.0071 1.3640 0.8368 1.0000 0.8513 0.8012 0.8002 0.5773 0.7090 valylleucine 0.9530 1.4169 1.0163 0.5361 0.5361 0.5361 0.7468 0.6237 0.9572 0.9453 0.5361 1.0802 0.7419 0.6144 1.2126 1.1297 0.9055 1.7235 1.2409 1.2071 1.2293 1.6725 0.5361 1.1428 0.8995 1.3817 1.0584 0.8596 1.1006 0.7999 1.0000 0.8066 0.7434 xanthine 1.1352 1.0526 1.2908 0.7544 0.9373 0.7554 0.6946 0.9153 0.6718 0.7855 1.0580 3.2070 1.0000 1.3575 1.3170 0.8231 1.0546 1.4067 1.4108 0.7902 1.1380 1.6388 1.0181 0.8194 0.9637 1.0091 1.0134 0.9436 0.7869 0.9009 0.6724 0.7048 1.2479 xanthosine 0.5914 2.0401 1.5915 0.4873 0.8027 0.3896 0.3773 0.6323 0.3670 0.3593 2.0009 5.7360 1.1981 1.2407 1.4791 0.7074 0.8764 2.8995 1.2928 0.7849 1.0207 1.9998 1.0793 1.0000 1.0621 1.6596 1.1136 1.4988 0.7738 0.8893 0.6703 0.5247 0.9566 ximenoylcarnitine (C26:1)* 0.2535 0.6515 0.3428 1.0742 1.6475 1.7606 1.1858 1.5415 1.0210 0.4296 0.9206 0.4157 6.3144 0.4924 0.2535 0.3040 0.6391 0.7935 0.7025 0.9823 0.9464 0.7772 1.5923 1.1962 1.6829 1.8198 2.2693 0.8758 1.0177 1.9960 0.9454 2.5596 2.3183 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RI MASS PUBCHEM CAS KEGG (16 or 17)-methylstearate (a19:0 or i19:0) 5993 297.2799 3083779 2724-59-6 (N(1) + N(8))-acetylspermidine 3080 188.1757 123689;496 C00612,C01029 (R)-3-hydroxybutyrylcarnitine 2400 248.1493 53481617 (S)-3-hydroxybutyrylcarnitine 2340 248.1493 71464477 1,2-dilinoleoyl-GPC (18:2/18:2) 2100 782.5694 5288075 998-06-1 1,2-dilinoleoyl-GPE (18:2/18:2)* 2150 740.5225 9546812 1,2-dipalmitoyl-GPC (16:0/16:0) 2450 734.5694 452110 63-89-8 D03585 1,2-dipalmitoyl-GPE (16:0/16:0)* 2498 692.5225 445468 1,2-dipalmitoyl-GPG (16:0/16:0) 3157 740.5436 11846227 200880-41-7 1,2-distearoyl-GPC (18:0/18:0) 2950 790.632 94190 816-94-4 1,5-anhydroglucitol (1,5-AG) 802 163.0612 64960 154-58-5 C07326 1-(1-enyl-oleoyl)-GPE (P-18:1)* 1566 464.3136 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* 2200 766.5745 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 2300 724.5276 52925126 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 2300 742.5745 24779386 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 2400 700.5276 52925127 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 2750 702.5432 52925128 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 2550 718.5745 11146967 1-(1-enyl-palmitoyl)-GPC (P-16:0)* 1547 480.3449 10917802 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 1558 438.2979 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 2550 752.5589 9547058 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* 2750 728.5589 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 3100 730.5745 42607457 144371-68-6 1-(1-enyl-stearoyl)-GPE (P-18:0)* 1649 466.3292 1-arachidonoyl-GPA (20:4) 5499 457.2361 42607498 799268-65-8 1-arachidonoyl-GPC* (20:4)* 6074 618.3413 24779476 C05208 1-arachidonoyl-GPE (20:4n6)* 5874 500.2783 42607465 1-arachidonoyl-GPI* (20:4)* 5482 619.2889 121596217 1-arachidonylglycerol (20:4) 6250 303.2329 16019980;5282281 35474-99-8 C13857 1-carboxyethylisoleucine 2628 202.1085 1-carboxyethylleucine 2663 202.1085 1-carboxyethylphenylalanine 2844 236.0928 59100900 1-carboxyethyltyrosine 1846 252.0877 1-carboxyethylvaline 2008 188.0928 1-dihomo-linolenylglycerol (20:3) 6400 305.2486 1-dihomo-linoleoylglycerol (20:2) 6800 307.2642 1-docosahexaenoylglycerol (22:6) 6150 309.2224 53480995 1-heptadecenoylglycerol (17:1)* 6390 267.2329 1-lignoceroyl-GPC (24:0) 1907 608.465 24779481 325171-59-3 1-linolenoyl-GPC (18:3)* 1410 518.3241 C04100 1-linolenoyl-GPG (18:3)* 5421 505.2572 1-linolenoylglycerol (18:3) 6214 277.2173 53480978 124151-74-2 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* 2000 806.5694 24778979 C05208 1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)* 2080 764.5225 348279332 1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)* 1939 780.5538 52922731 1-linoleoyl-GPC (18:2) 1465 520.3398 11988421 C04100 1-linoleoyl-GPE (18:2)* 5900 476.2783 52925130 1-linoleoyl-GPG (18:2)* 5516 507.2728 1-linoleoyl-GPI* (18:2)* 5494 595.2889 11124828 1-linoleoyl-GPS (18:2)* 5500 520.2681 1-linoleoylglycerol (18:2) 6477 279.2329 5283469 2277-28-3 1-meadoylglycerol (20:3n9)* 6450 305.2486 1-methyl-4-imidazoleacetate 2064 141.0659 75810 2625-49-2 C05828 1-methyl-5-imidazoleacetate 1989 141.0659 6451814 4200-48-0 1-methylguanidine 2149 74.0713 10111 22661-87-6 C02294 1-methylhistidine 2755 170.0924 92105 332-80-9 C01152 1-methylnicotinamide 1940 137.0709 457 1005-24-9 C02918 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* 1950 754.5381 24778634 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) 2250 706.5381 129657 69525-80-0 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* 2200 766.5381 348281223 1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)* 2568 902.5753 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* 2100 832.5851 24778955 1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)* 2119 790.5381 52922113 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 2250 784.5851 24778939 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* 2270 742.5381 9546753 1-oleoyl-GPC (18:1) 1540 522.3554 16081932 19420-56-5 C03916 1-oleoyl-GPE (18:1) 1554 480.3085 9547071 89576-29-4 1-oleoyl-GPG (18:1)* 5610 509.2885 1-oleoyl-GPI (18:1) 5599 597.3045 86289645 1-oleoyl-GPS (18:1) 5607 522.2837 85036846 326589-90-6 1-oleoylglycerol (18:1) 6650 281.2486 5283468 111-03-5 1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)* 1900 754.5381 52922452 1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)* 2050 756.5538 24778768 1-palmitoleoyl-GPC* (16:1)* 1450 494.3241 24779461 1-palmitoleoylglycerol (16:1)* 6094 253.2173 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 2200 782.5694 10747814 35418-58-7 C05208 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 2250 740.5225 9546800 C05210 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 892 857.5186 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) 2055 806.5694 6441886 59403-54-2 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* 2160 764.5225 9546799 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 2160 758.5694 5287971 40811-94-7 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 2350 716.5225 9546747 1-palmitoyl-2-linoleoyl-GPG (16:0/18:2) 2730 764.5436 52927246 322647-44-9 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) 910 833.5185 46891795 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 2450 760.5851 6436017 26853-31-6;26853-31-6 C13875 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 2600 718.5381 5283496 26662-94-2 1-palmitoyl-2-oleoyl-GPG (16:0/18:1) 3206 766.5593 70789105 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* 893 835.5342 71296232 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 2200 732.5538 6443788 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 2750 762.6007 24778686 59403-51-9 C03889 1-palmitoyl-2-stearoyl-GPE (16:0/18:0)* 2850 720.5538 5326793 1-palmitoyl-GPA (16:0) 5600 409.2361 6419701 17618-08-5 C04036 1-palmitoyl-GPC (16:0) 1525 496.3398 86554 17364-16-8 C04102 1-palmitoyl-GPE (16:0) 1544 454.2928 9547069 53862-35-4 1-palmitoyl-GPG (16:0)* 5570 483.2728 3300276 1-palmitoyl-GPI* (16:0) 5564 571.2889 71296207 1-ribosyl-imidazoleacetate* 2006 259.0925 440569 29605-99-0 C05131 1-stearoyl-2-arachidonoyl-glycosyl-GPE (18:0/20:4) 2423 930.6066 46891781 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 2400 810.6007 16219824 35418-59-8 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 2475 768.5538 5289133 C05210 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 3000 904.591 383907-33-3 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 2565 812.5436 24779545 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) 2300 834.6013 24778876 59403-52-0 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)* 2375 792.5538 9546798 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 2450 786.6007 6441487 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* 2575 744.5538 9546749 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) 910 861.5499 1-stearoyl-2-linoleoyl-GPS (18:0/18:2) 2689 788.5436 9547091 322647-11-0 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 2644 788.6164 24778825 56421-10-4 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 2950 746.5694 9546742 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 901 788.5447 9547087 1-stearoyl-GPC (18:0) 1606 524.3711 497300 19420-57-6 1-stearoyl-GPE (18:0) 1626 482.3241 9547068 69747-55-3 1-stearoyl-GPG (18:0) 5816 511.3041 1-stearoyl-GPI (18:0) 5794 599.3202 71581135;42607495 796963-93-4 1-stearoyl-GPS (18:0)* 5800 524.2994 74819135 10-heptadecenoate (17:1n7) 5555 267.233 5312435 29743-97-3 10-nonadecenoate (19:1n9) 5780 295.2643 5312513 73033-09-7 12-HETE 5326 319.2279 5283155 71030-37-0;73837-14-6 C14777 12-HHTrE 5175 279.1966 5283141 54397-84-1 C20388 13-HODE + 9-HODE 5275 295.2283 5312830;1424;5282947;5282944;5282945 C14767,C14762 18-methylnonadecanoate (i20:0) 6170 311.2956 4383090 2'-deoxyadenosine 2252 252.1091 13730 16373-93-6 C00559 2'-deoxyadenosine 5'-monophosphate 1315 330.0609 12599 653-63-4 C00360 2'-deoxycytidine 2193 228.0979 13711 951-77-9 C00881 dCMP 975 308.0642 13945 1032-65-1 C00239 2'-deoxyguanosine 1700 266.0895 135398592 961-07-9 C00330 2'-deoxyinosine 1688 251.0786 135398593 890-38-0 C05512 2'-deoxyuridine 1586 227.0673 13712 951-78-0 C00526 2'-O-methyluridine 1831 257.0779 102212 2140-76-3 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 1156 177.0227 2,3-dihydroxyisovalerate 1050 133.0506 677 1756-18-9 C04039 2,4-di-tert-butylphenol 5749 205.1597 96-76-4 2,4-dihydroxybutyrate 1793 119.035 192742 1518-62-3 2,6-dihydroxybenzoic acid 2575 153.0193 9338 303-07-1 2,8-quinolinediol sulfate 2612 239.9972 2-aminoadipate 3500 160.0615 92136 542-32-5;1118-90-7 C00956 2-aminoheptanoate 3160 146.1176 227939 1115-90-8 2-aminophenol sulfate 1677 188.0023 181670 2-arachidonoylglycerol (20:4) 6170 303.2329 5282280 53847-30-6 C13856 2-docosahexaenoylglycerol (22:6)* 6050 309.2224 46896303 2-hydroxy-3-methylvalerate 1800 131.0714 164623 488-15-3 2-hydroxybutyrate/2-hydroxyisobutyrate 1258 103.0401 4277439;440864 C21297,C05984 2-hydroxydecanoate 4840 187.134 21488 5393-81-7 2-hydroxyglutarate 3352.8 147.0299 43 40951-21-1 C02630 2-hydroxyheptanoate* 925 145.087 2750949 2-hydroxyoctanoate 3736.8 159.1027 5312860;6995013;94180 617-73-2 2-linoleoylglycerol (18:2) 6250 279.2329 5365676 3443-82-1 2-methylbutyrylcarnitine (C5) 3050 246.17 6426901 31023-25-3 2-methylcitrate/homocitrate 575 205.0354 515;439459 C01251 2-methylmalonylcarnitine (C4-DC) 2440 262.1285 53481628 149181-64-6 2-myristoylglycerol (14:0) 6230 227.2016 137938 27214-38-6 2-naphthol sulfate 3658 223.0071 74428 2-O-methylascorbic acid 1512 189.0405 54726398 17860-87-6 2-oleoylglycerol (18:1) 6500 281.2486 5319879 3443-84-3 2-oxoarginine* 1760 174.0873 558 10/4/3715 C03771 2-palmitoleoylglycerol (16:1)* 6016 253.2173 53480960 2-palmitoyl-GPC* (16:0)* 6215 570.3413 15061532 2-palmitoylglycerol (16:0) 6400 255.2329 123409 23470-00-0 2-stearoyl-GPE (18:0)* 6350 480.3096 90658453;53480667 2R,3R-dihydroxybutyrate 1543 119.035 13120901 759-06-8 2S,3R-dihydroxybutyrate 1660 119.035 10964471 5057-93-2 3'-dephospho-acetyl-CoA 2313 728.1522 193680 3'-dephospho-CoA-glutathione* 1690 495.1012 3'-dephosphocoenzyme A 2013 686.1416 444485 3633-59-8 C00882 3,4-dihydroxybutyrate 2204 119.035 150929 51267-44-8 3-(3-hydroxyphenyl)propionate sulfate 1294 245.0125 187488 86321-32-6 3-(4-hydroxyphenyl)lactate (HPLA) 1379 181.0506 9378 6482-98-0 C03672 3-amino-2-piperidone 2065 115.0866 5200225 1892-22-4 3-formylindole 3709 144.0455 10256 487-89-8 C08493 3-hydroxy-2-ethylpropionate 1443.3 117.0557 188979 4374-62-3 3-hydroxy-3-methylglutarate 2850 161.0456 1662;5459993 503-49-1 C03761 3-hydroxyadipate 3131 161.0455 151913 3-hydroxybutyrate (BHBA) 1480 103.0401 441;94318;92135 625-72-9 C03197,C01089 3-hydroxydecanoylcarnitine 961 332.2432 121454166 3-hydroxyhexanoate 1725 131.0714 151492 10191-24-9 3-hydroxyhexanoylcarnitine (1) 2918 276.1806 3-hydroxyhexanoylcarnitine (2) 2968 276.1806 3-hydroxyisobutyrate 1619 103.0401 11966314 2068-83-9 C01188,C06001 3-hydroxylaurate 5175 215.1653 94216 53941-38-1 3-hydroxymyristate 5335 243.1966 16064 3422-31-9 3-hydroxyoctanoate 3446 159.1027 26613 88930-08-9 C20793 3-hydroxyoctanoylcarnitine (1) 3445 304.2119 3-hydroxyoctanoylcarnitine (2) 3497 304.2119 3-hydroxyoleate* 5508 297.2435 3-hydroxyoleoylcarnitine 1406 442.3527 129637446 3-hydroxypalmitoylcarnitine 1380 416.3371 126456228 3-indoxyl sulfate 2222.2 212.0023 10258 2642-37-7 3-methoxytyrosine 2555 212.0917 9307 300-48-1 3-methylglutaconate 2700 99.0452 1551553 5746-90-7 3-methylhistidine 906.3 168.0779 64969 368-16-1 C01152 3-phenylpropionate (hydrocinnamate) 2860 149.0608 107 501-52-0 C05629 3-phosphoglycerate 583 184.9857 724 80731-10-8 C00597 3-ureidopropionate 875 133.0608 111 462-88-4 C02642 4-acetylphenyl sulfate 2375 215.002 4684006 4-chlorobenzoic acid 3015 154.9905 6318 74-11-3 C02370 4-cholesten-3-one 2520 385.3465 91477 601-57-0 C00599 4-ethylphenol glucuronide 3167 297.098 4-ethylphenyl sulfate 3580 201.0227 20822574 123-07-9 C13637 4-guanidinobutanoate 2320 146.0924 500 463-003;463-00-3 C01035 4-hydroxy-nonenal-glutathione 3319.2 462.1916 92970719 99927-70-5 4-hydroxybutyrate (GHB) 1765 103.0401 10413 502-85-2 C00989 4-hydroxyglutamate 1141 164.0554 439902 2485-33-8 C03079 4-imidazoleacetate 2055 127.0502 96215 645-65-8 C02835 4-methylcatechol sulfate 2665 203.002 54104170 4-vinylphenol sulfate 3320 199.0071 6426766 2628-17-3 C05627 5,6-dihydrouridine 1119 245.0779 94312 5/4/5627 5-(galactosylhydroxy)-L-lysine 2755 325.1606 66995551 32448-36-5 5-aminovalerate 2220 118.0863 138 660-88-8 C00431 5-dodecenoate (12:1n7) 5224 197.1547 5312378 2430-94-6 5-dodecenoylcarnitine (C12:1) 1135 342.2639 91825571 5-hydroxyindoleacetate 1510.2 190.051 1826 54-16-0 C05635 5-hydroxylysine 2790 163.1077 3032849 13204-98-3 C16741 5-methyl-2'-deoxycytidine 2303 242.1135 440055 838-07-3 C03592 5-methylcytidine 2227 258.1085 92918 2140-61-6 5-methylthioadenosine (MTA) 2752 298.0968 439176 2457-80-9 C00170 5-methyluridine (ribothymidine) 1778.1 257.0779 445408 1463-10-1 5-oxoproline 738.5 128.0353 439685;7405 98-79-3 C01879,C02237 6-phosphogluconate 583.9 275.0174 91493 921-62-0;53411-70-4 C00345 7-HOCA 5288.1 429.301 3081085 115538-85-7 C17337 7-ketodeoxycholate 4821 405.2646 188292 911-40-0 7-methylguanine 2175 166.0723 135398679 578-76-7 C02242 acetyl-CoA 1691 403.5556 444493 102029-73-2 C00024 acetylcarnitine (C2) 2282 204.123 7045767 5080-50-2 C02571 acetylcholine 2220 146.1176 187 60-32-1 C01996 acetylphosphate 4013.9 138.9802 186 94249-01-1 C00227 acisoga 1813 185.1285 129397 106692-36-8 aconitate [cis or trans] 580 173.0092 643757;444212 C02341,C004174 adenine 2221 136.0618 190 73-24-5 C00147 adenosine 2169 268.104 60961 58-61-7 C00212 adenosine 3',5'-cyclic monophosphate (cAMP) 1952.2 328.0452 6076 60-92-4 C00575 adenosine 3',5'-diphosphate 575 426.0221 159296 75431-54-8 C00054 3'-AMP 1245 346.0558 41211 84-21-9 C01267 ADP 680 426.0221 6022 20398-34-9 C00008 adenosine 5'-diphosphoribose (ADP-ribose) 553 560.079 192 68414-18-6 C00301 AMP 1013 348.0704 6083 149022-20-8 C00020 adenylosuccinate 560 230.5297 440122 19046-78-7 C03794 adrenate (22:4n6) 5678 331.2643 5497181;5282844 2091-25-0 C16527 adrenoylcarnitine (C22:4)* 1415 476.3734 AICA ribonucleotide 797 339.0701 65110 3031-94-5 C04677 alanine 1700 90.055 5950 56-41-7 C00041 alanylleucine 3055 203.139 259583 1638-60-4 allantoin 1672 157.0367 204;439714;439713 97-59-6 C02350,C02348,C01551 alpha-hydroxyisocaproate 1840 131.0714 92779;83697;439960 10303-64-7 C03264 alpha-hydroxyisovalerate 1052 117.0557 99823 600-37-3 alpha-ketoglutaramate* 1916 144.0302 48 18465-19-5 C00940 alpha-ketoglutarate 2700 145.0143 51 305-72-6;328-50-7;22202-68-2 C00026 alpha-muricholate 4765 407.2803 53477700 2393-58-0 C17647 alpha-tocopherol 2522 430.3782 86472 59-02-9;10191-41-0 C02477 alpha-tocotrienol 1986 424.3336 5282347 58864-81-6 C14153 anserine 2924 241.1295 112072 10030-52-1 C01262 arabitol/xylitol 1932.4 151.0612 6912;94154 C00542,C01904,C00379 arabonate/xylonate 2700 165.0405 122045;6602431 C00502,C05411 arachidate (20:0) 6240 311.2956 10467 506-30-9 C06425 arachidonate (20:4n6) 5535 303.233 444899 506-32-1 C00219 arachidonoyl CoA 2573 525.6652 25243941;5497113;16061152 799812-91-2 C02249 arachidonoyl ethanolamide 1560 348.2897 5281969 94421-68-8 C11695 arachidonoylcarnitine (C20:4) 1353 448.3422 136212424 arachidoylcarnitine (C20)* 1512 456.4047 53477833 arginine 2825 175.119 6322 1119-34-2 C00062 argininosuccinate 4311 289.1154 60150382 156637-58-0 C03406 ascorbate (Vitamin C) 770 177.0394 54670067 134-03-2 C00072,D00018 ascorbic acid 3-sulfate* 2025 254.9815 11425365 asparagine 1225 133.0608 6267 70-47-3 C00152 aspartate 1165 134.0448 5960 56-84-8 C00049 azelate (C9-DC) 1276 187.0976 2266 123-99-9 C08261 behenate (22:0)* 6745 339.3269 8215 112-85-6 C08281 behenoyl sphingomyelin (d18:1/22:0)* 3250 787.6688 44260125 behenoylcarnitine (C22)* 1561 484.436 71464577 benzoate 1750 121.0295 243 65-85-0 C00180 beta-alanine 1905 90.055 239 56-41-7;107-95-9 C00099 beta-citrylglutamate 530 320.0623 189741 73590-26-8 C20775 beta-hydroxyisovalerate 1149.8 117.0557 69362 625-08-1 beta-hydroxyisovaleroylcarnitine 2584 262.1649 99159-87-2 beta-muricholate 4794 407.2803 5283853 2393-59-1 C17726 beta-sitosterol 3054 397.3829 222284 83-46-5 C01753 betaine 1064 118.0863 247 107-43-7 C00719 bilirubin 1840 585.2708 5280352 635-65-4 C00486 biliverdin 1016 583.2551 5280353 55482-27-4;55482-27-4 C00500 butenoylcarnitine (C4:1) 2765 230.1387 butyryl/isobutyryl CoA 2375 836.1498 122283;265 C00136 butyrylcarnitine (C4) 2860 232.1543 439829 25576-40-3 C02862 butyrylglycine (C4) 1470 144.0666 88412 20208-73-5 C-glycosyltryptophan 2700 367.15 10981970 180509-18-6 campesterol 2873 383.3672 173183 474-62-4 C01789 caproate (6:0) 2713.7 115.0765 8892 142-62-1 C01585 caprylate (8:0) 4362 143.1078 379 124-07-2 C06423 carnitine 1978 162.1125 288 461-05-2 C00487,C00308 carnosine 2942 227.1139 439224 305-84-0 C00386 catechol sulfate 1906 188.9863 3083879 4918-96-1 ceramide (d18:1/17:0, d17:1/18:0)* 3055 552.5351 chenodeoxycholate 5264 391.2854 10133 474-24-9;474-25-9 C02528 chiro-inositol 3191.2 225.0616 643-12-9 C19891 cholate 5165 407.2803 221493 81-25-4 C00695 cholesterol 2707 369.3516 6432564;11025495;5997 57-88-5 C00187 cholesterol sulfate 681 465.3043 65076 2864-50-8 C18043 choline 1961 104.107 305 67-48-1 C00114 phosphocholine 700 184.0733 1014 72556-74-2 C00588 cis-4-decenoate (10:1n6)* 4890 169.1234 5282726 505-90-8 cis-4-decenoylcarnitine (C10:1) 1057 314.2326 57357170 98930-66-6 citrate 582 191.0197 311 77-92-9 C00158 citrulline 1520 176.103 9750 372-75-8 C00327 CoA-glutathione* 1326 535.0844 46873828 6477-52-7 C00920 CoA 1448 382.5503 87642 85-61-0;18439-24-2 C00010 corticosterone 5040 345.2071 5753 50-22-6 C02140 creatine 1947 132.0768 586 57-00-1 C00300 creatine phosphate 3831 210.0285 587;9548602 922-32-7 C02305 creatinine 2055 114.0662 588 60-27-5 C00791 cystathionine 2270 223.0747 439258 535-34-2 C02291 cysteine 1475 122.027 5862 52-90-4;56-89-3 C00097 cysteine-glutathione disulfide 2465 427.0952 3080690 13081-14-6 R00900 cysteinylglycine 2132 179.0485 439498 19246-18-5 C01419 cystine 2000 241.0311 67678 56-89-3 C00491 cytidine 2124 244.0928 6175 65-46-3 C00475 CDP-choline 4200 533.1055 13804 33818-15-4 C00307 CMP 835 324.0591 6131 63-37-6 C00055 cytidine 5'-monophospho-N-acetylneuraminic acid 3900 613.14 448209 3063-71-6 C00128 cytidine diphosphate 580 402.0109 6132 34393-59-4 C00112 CDP-ethanolamine 4210 445.0531 123727 72842-05-8 C00570 cytosine 2060 112.0505 597 71-30-7 C00380 daidzein 3566 253.0506 5281708 486-66-8 C10208 daidzein sulfate (2) 3330 333.0076 12114465 decanoylcarnitine (C10) 1130 316.2482 10245190 1492-27-9 dehydroascorbate 739.6 173.0092 440667 490-83-5 C05422 deoxycarnitine 2052 146.1176 22620 6249-56-5 C01181 diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])* 2733 608.5249 dihomolinoleate (20:2n6) 5730 307.2643 6439848 2091-39-6 C16525 dihomolinolenate (20:3n3 or 3n6) 5596 305.2486 5280581 17046-59-2 C03242 dihomo-linolenoylcarnitine (C20:3n3 or 6)* 1392 450.3578 dihomo-linoleoylcarnitine (C20:2)* 1436 452.3734 dihydroorotate 1910 157.0255 648 155-54-4 C00337 dihydroxyacetone phosphate (DHAP) 539 171.0053 668 102783-56-2 C00111 dimethylarginine (ADMA + SDMA) 2850 203.1503 123831;169148 102783-24-4 C21189,C03626 dimethylglycine 1104 104.0706 673 1118-68-9 C03626 dimethylmalonic acid 2702 131.035 11686 595-46-0 docosadienoate (22:2n6) 6034 335.2956 5282807 7370-49-2 C16533 docosadienoylcarnitine (C22:2)* 1493 480.4047 71464511 docosahexaenoate (DHA; 22:6n3) 5525 327.233 445580 6217-54-5 C06429 docosahexaenoyl ethanolamide 1536 372.2897 5283451 162758-94-3 docosahexaenoylcarnitine (C22:6)* 1349 472.3422 docosapentaenoate (DPA; 22:5n3) 5571 329.2486 6441454 2234-74-4 C16513 docosapentaenoate (n6 DPA; 22:5n6) 5624.5 329.2486 6441454 25182-74-5 C16513 docosapentaenoylcarnitine (C22:5n3)* 1387 474.3578 71464594 docosapentaenoylcarnitine (C22:5n6)* 1417 474.3578 71464594 docosatrienoylcarnitine (C22:3)* 1460 478.3891 dodecadienoate (12:2)* 5146 195.1391 25480 eicosapentaenoate (EPA; 20:5n3) 5450 301.2173 446284 10-2005-9;10417-94-4 C06428 eicosenoate (20:1n9 or 1n11) 5950 309.2799 5282769;5282768;94159 C16526 eicosenoylcarnitine (C20:1)* 1484 454.3891 enterolactone sulfate 3746 377.07 equol glucuronide 3215 417.1191 46781484 equol sulfate 3630 321.0438 ergothioneine 850 230.0958 5351619 58511-63-0 C05570 erucate (22:1n9) 6355.6 337.3112 8216;5281116 112-86-7 C08316 erucoylcarnitine (C22:1)* 1535 482.4204 erythritol 1491 167.0561 222285 149-32-6 C00503 erythronate* 2186 135.0299 2781043 88759-55-1 erythrose 4-phosphate 3960 199.0013 122357 103302-15-4 C00279 ethyl beta-glucopyranoside 1519 207.0874 121667 ethylmalonate 2785 131.035 11756 601-75-2 ferulic acid 4-sulfate 1200 273.0074 6305574 86321-29-1 FAD 2425 784.1499 643975 146-14-5;84366-81-4 C00016 FMN 2390 455.0973 643976 130-40-5 C00061 fructose 2065 225.0616 2723872 57-48-7 C00095 fructose 1,6-bisphosphate 553.1 338.9888 445557 38099-82-0;103213-44-1 C05378 fructosyllysine 2784 309.1656 9839580 21291-40-7 fumarate 3084 115.0037 444972 100-17-8 C00122 galactonate 3085 195.051 12310779;128869 299-28-5 C15930,C00880 galactose 1-phosphate 4552 259.0224 123912 19046-60-7 C00446 gamma-glutamyl-epsilon-lysine 2725 276.1554 7015685 17105-15-6 gamma-glutamylglutamate 1775 277.103 92865 1116-22-9 C05282 gamma-glutamylglutamine 1430 276.119 150914 10148-81-9 C05283 gamma-glutamylhistidine 2740 285.1194 7017195 37460-15-4 gamma-glutamylisoleucine* 2940 261.1445 22885096 gamma-glutamylleucine 2991 261.1445 151023 2566-39-4 gamma-glutamylphenylalanine 1825 293.1143 111299 7432-24-8 gamma-glutamylthreonine 1750 249.1081 76078708 5652-48-2 gamma-glutamylvaline 2700 247.1289 7015683 2746-34-1 gamma-tocopherol/beta-tocopherol 2384 416.3643 C14152,C02483 gamma-tocotrienol 1918 410.3179 5282349 14101-61-2 C14155 gluconate 2922 195.051 3085666;10690 527-07-1 C00257 glucosamine-6-phosphate 4521.5 258.0384 440997 3616-42-0 C00352 glucose 2342 225.0616 5793 50-99-7 C00031 glucose 6-phosphate 4537 259.0224 5958 103192-55-8 C00092 glucuronate 3233.3 193.0354 441478;94715;23677976;65041;444791 207300-70-7 C16245 glutamate 1500 148.0604 33032 56-86-0 C00025,C00217 glutamate, gamma-methyl ester 2170 162.0761 68662 1499-55-4;1499-55-4 glutamine 1291 147.0764 5961 56-85-9 C00064 glutamine_degradant* 1900 129.0659 2353-44-8 glutarate (C5-DC) 2900 131.035 743;4418048 110-94-1 C00489 glutathione, oxidized (GSSG) 2667 613.1593 65359 103239-24-3 D00031,C00127 glutathione, reduced (GSH) 2000 308.0911 124886 70-18-8 D00014,C00051 glycerate 2070.4 105.0193 752;439194 600-19-1 C00258 glycerol 758 91.0401 753 56-81-5 C00116 glycerol 3-phosphate 3938.7 171.0064 754 29849-82-9 C0093 glycerophosphoethanolamine 3075 214.0486 123874 33049-08-0 C01233 glycerophosphoglycerol 2430 245.0432 54575349 C03274 glycerophosphoinositol* 3850 333.0592 167572 16824-65-0 glycerophosphorylcholine (GPC) 672 258.1101 71920 28319-77-9 C00670 glycerophosphoserine* 577 260.053 3081457 glycine 1375 76.0393 750 56-40-6 C00037 glycochenodeoxycholate 5236.1 448.3068 12544 16564-43-5 C05466 glycocholate 5163 464.3018 10140 475-31-0;863-57-0 C01921 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) 2623 700.5722 glycosyl-N-stearoyl-sphingosine (d18:1/18:0) 3053 728.6035 glycylleucine 3059 189.1234 92843 869-19-2 C02155 glycylvaline 2734 175.1077 2724807 1963-21-9 guaiacol sulfate 2344 203.002 22473 guanidinoacetate 1937 118.0611 763 352-97-6 C00581 guanine 2032 152.0567 135398634 73-40-5 C00242 guanosine 1728 284.099 6802 118-00-3 C00387 5'- GMP 800 364.0653 6804 12/9/5550 C00144 gulonate* 2750 195.051 152304 20246-53-1 C00800 heme 5325 632.1728 26945 14875-96-8 C00032 heneicosapentaenoate (21:5n3) 5514 315.233 11998573 24257-10-1 heptanoate (7:0) 3670 129.0921 8094 111-14-8 C17714 hexadecadienoate (16:2n6) 5398 251.2017 13932172 28290-73-5 hexadecanedioate (C16) 4615 285.2071 10459 505-54-4 C19615 hexadecatrienoate (16:3n3) 5330 249.186 91820460 7561-64-0 hexanoylcarnitine (C6) 800 260.1856 6426853 6920-35-0 hexanoyltaurine 3040 222.0806 2245940 hippurate 2106.9 178.051 464 495-69-2 C01586 histamine 3035 112.0869 774 51-45-6 C00388 histidine 755.9 154.0622 6274 5934-29-2 C00135 histidine betaine (hercynine)* 2094 198.1237 3083620 534-30-5 histidine methyl ester 3080 170.0924 92893 1499-46-3 homoarginine 2882 189.1346 9085 156-86-5 C01924 homocitrulline 1908 190.1186 65072 1190-49-4 C02427 homostachydrine* 1750 158.1176 441447 1195-94-4 C08283 hydroquinone sulfate 1395 188.9863 161220 123-31-9 C00530 hydroxy-N6,N6,N6-trimethyllysine* 2759 205.1547 hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH)) 2056 719.5698 hypotaurine 2763.4 108.0125 107812 300-84-5 C00519 hypoxanthine 1291.2 135.0312 790;135398638 68-94-0 C00262 imidazole lactate 2040 157.0608 793 14403-45-3 C05568 imidazole propionate 2263 141.0659 70630 1074-59-5 indoleacetate 2200 174.0561 802 6505-45-9 C00954 indoleacrylate 2511 186.0561 5375048 1204-06-4 indolelactate 2286 204.0666 92904 832-97-3 C02043 indolepropionate 2795 188.0717 3744 830-96-6 inosine 1602.1 267.0735 6021 58-63-9 C00294 inosine 5'-monophosphate (IMP) 650 349.0544 8582 4691-65-0 C00130 inositol 1-phosphate (I1P) 4785 259.0224 440194 573-35-3;106032-59-1 C01177 isoleucine 2800 132.1019 6306 73-32-5 C16424,C00407,C06418 isoleucylglycine 1992 187.1088 342532 868-28-0 isovalerylglycine 1950 158.0823 546304 16284-60-9 kynurenate 2224 188.0353 3845 492-27-3 C01717 kynurenine 2739 209.0921 161166 2922-83-0 C00328 lactate 681.6 89.0244 612 79-33-4 C00186 lactobacillic acid 5822 295.2643 656761 503-06-0 laurylcarnitine (C12) 1235 344.2795 168381 25518-54-1 leucine 2864 132.1019 6106 61-90-5 C00123 leucylalanine 2801 203.139 81721 7298-84-2 leucylglutamine* 2620 260.1605 4305457 leucylglycine 2050 187.1088 79070 686-50-0 lignoceroyl sphingomyelin (d18:1/24:0) 3437 815.7001 60037-60-7 lignoceroylcarnitine (C24)* 1603 512.4673 linoleate (18:2n6) 5535 279.233 5280450 60-33-3 C01595 linolenate (18:3n3 or 3n6) 5450 277.2173 5280933;5280934 C06426,C06427 linolenoylcarnitine (C18:3)* 1310 422.3265 linoleoyl ethanolamide 6150 322.2752 5283446 68171-52-8 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* 2650 658.5405 9543796 linoleoylcarnitine (C18:2)* 1430 424.3421 6450015 36816-10-1 linoleoylcholine* 1388 366.3367 53481656 lysine 2850 147.1128 5962 56-87-1 C00047,C00739 lyxonate 2350 165.0405 malate 615.6 133.0143 525 6915-15-7 C00497,C00149,C00711 maleate 2640 115.0037 444266 110-16-7 C01384 malonate 3447 103.0037 867 141-82-2;26522-22-85-0 C00383 malonylcarnitine 2086 248.1129 22833583 853728-01-5 maltitol/lactitol/cellobiotol/palatinol 750 343.1246 maltose 3329.4 387.1144 10991489 6363-53-7 C00208 maltotetraose 5000 711.2201 439639 34612-38-9 C02052 maltotriose 812 503.1618 439586 1109-28-0 C01835 mannitol/sorbitol 2320 181.0718 6251;5780 C00392,C00794 mannonate* 2736 195.051 3246006 642-99-9 mannose 2200 225.0616 185698;82308;18950;439680 3458-28-4 C00159,C02209,C00936 mannose 6-phosphate 4510 259.0224 439198 70442-25-0;104872-94-8 C00275 margarate (17:0) 5731 269.2486 10465 506-12-7 margaroylcarnitine (C17)* 1424 414.3578 53477803 106182-29-0 meadoylcarnitine (C20:3n9)* 1408 450.3578 methionine 2526 150.0583 6137 63-68-3 C00073 methionine sulfoxide 1272 166.0533 158980 3226-65-1 C02989 methyl glucopyranoside (alpha + beta) 1070 193.0718 445238;3036743;2108 methyl-4-hydroxybenzoate sulfate 2873 230.9969 10657183 methylmalonate (MMA) 3078.4 117.0193 487 516-05-2 C02170 methylphosphate 3760.1 110.9853 13130 7023-27-0 methylsuccinate 2800 131.035 10349 498-21-5 myo-inositol 3506.3 225.0616 892 87-89-8 C00137 myristoleate (14:1n5) 5346.9 225.186 5281119 544-64-9 C08322 myristoleoylcarnitine (C14:1)* 1316 370.2947 129691961 889848-55-9 myristoylcarnitine (C14) 1350 372.3108 6426854 18822-89-4 N,N,N-trimethyl-5-aminovalerate 2186 160.1332 14274897 N,N,N-trimethyl-alanylproline betaine (TMAP) 2470 229.1547 N,N-dimethyl-pro-pro 2500 241.1547 N,N-dimethylalanine 1370 118.0863 5488191 2812-31-9 N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH)) 2692 554.5143 72715801 34839-02-6 N-acetyl-1-methylhistidine* 2100 212.1028 53859791 N-acetyl-aspartyl-glutamate (NAAG) 1035 305.098 188803 3106-85-2 C12270 N-acetyl-glucosamine 1-phosphate 4052 300.049 440364 31281-59-1 C04256 N-acetyl-isoputreanine 2305 203.139 131802901 N-acetylalanine 861 130.051 88064 97-69-8 C02847 N-acetylarginine 2245 217.1295 67427 155-84-0 C02562 N-acetylasparagine 785 175.0713 99715 4033-40-3 N-acetylaspartate (NAA) 3143 174.0408 65065 997-55-7;997-55-7 C01042 N-acetylglucosamine 6-phosphate 4114 300.049 439219 102029-88-9 C00357 N-acetylglucosamine/N-acetylgalactosamine 715 222.0972 84265;439174 C01074 N-acetylglucosaminylasparagine 1212 336.1402 123826 2776-93-4 C04540 N-acetylglutamate 3106 188.0564 70914 8/3/5817 C00624 N-acetylglutamine 845 189.087 182230 2490-97-3 C02716 N-acetylglycine 1780 116.0353 10972 543-24-8 N-acetylhistamine 1730 152.0832 69602 673-49-4 C05135 N-acetylkynurenine (2) 2378 249.0881 73817779 N-acetylleucine 2400 172.0979 70912 1188-21-2 C02710 N-acetylmethionine 1787 190.0543 448580 65-82-7 C02712 N-acetylmethionine sulfoxide 880 208.0638 11902949 108646-71-5 N-acetylneuraminate 660 310.1133 439197 131-48-6 C00270 N-acetylphenylalanine 2597 206.0823 74839 2018-61-3 C03519 N-acetylputrescine 2230 131.1179 122356 18233-70-0 C02714 N-acetylserine 800 148.0604 65249 97-14-3 N-acetyltaurine 1249 166.018 159864 N-acetylthreonine 821.6 160.0615 152204 17093-74-2 N-acetyltyrosine 1680 222.0772 68310 537-55-3 N-arachidonoyltaurine 5481 410.2371 42607331 119959-65-8 N-delta-acetylornithine 858 173.0932 9920500 C00437 N-formylmethionine 1543.8 176.0387 439750 4289-98-9 C03145 N-glycolylneuraminate 3327.5 324.0936 123802 1113-83-3 C03410 N-linoleoyltaurine* 5505 386.2371 52922081 N-methyl-GABA 2109 118.0863 70703 1119-48-8 C15987 N-myristoyltaurine* 5405 334.2058 3810823 N-oleoyltaurine 5610 388.2527 6437033 52514-04-2 N-palmitoyl-sphingadienine (d18:2/16:0)* 2490 536.5037 N-palmitoyl-sphinganine (d18:0/16:0) 3090 540.535 5283572 5966-29-0 N-palmitoyl-sphingosine (d18:1/16:0) 2893 538.5194 5283564 24696-26-2 N-palmitoyltaurine 5560 362.2371 14504290 83982-06-3 N-stearoyl-sphingosine (d18:1/18:0)* 3392 566.5507 5283565 104404-17-3 N-stearoyltaurine 5782 390.2684 168274 63155-80-6 N1-Methyl-2-pyridone-5-carboxamide 1668 151.0513 69698 701-44-0 C05842 1-methyladenosine 2120 282.1197 27476 15763-06-1 C02494 N2-acetyllysine 828.3 187.1088 92907 1946-82-3 C12989 N4-acetylcytidine 2040 284.0888 107461 3768-18-1 N6,N6,N6-trimethyllysine 2825 189.1598 440120 23284-33-5 C03793 N6-acetyllysine 1059 187.1088 92832 692-04-6 C02727 N6-carbamoylthreonyladenosine 2164 411.127 161466 24719-82-2 N6-carboxymethyllysine 2500 205.1183 123800 4/3/5746 N6-methyllysine 2831 161.1285 164795 1188-07-4 C02728 N6-succinyladenosine 940 382.1004 165243 4542-23-8 nervonate (24:1n9)* 6804 365.3425 5281120 506-37-6 C08323 nervonoylcarnitine (C24:1)* 1602 510.4517 nicotinamide 1942 123.0553 936 98-92-0 C00153 NAD+ 1434 662.1018 5892 53-84-9 C00006 nicotinamide ribonucleotide (NMN) 766 335.0639 14180 1094-61-7 C00455 nicotinamide riboside 2040 255.0976 439924 1341-23-7 C03150 nisinate (24:6n3) 5657 355.2643 11792612 68378-49-4 nonadecanoate (19:0) 6068 297.2799 12591 646-30-0 C16535 nonanoylcarnitine (C9) 1010 302.2326 91825642 O-methyltyrosine 2790 196.0968 441350;2723935 1080-06-4 D00762 O-sulfo-L-tyrosine 990 260.0234 514186 octadecenedioate (C18:1-DC) 4875 311.2228 9543674 octanoylcarnitine (C8) 950 288.2169 11953814;123701 3671-77-0 C02838 oleate/vaccenate (18:1) 5655 281.2486 637517;445639;5281127;5282761 C01712,C08367,C00712,C21944 oleoyl CoA 2569 514.673 5497111 1716-06-9 C00510 oleoyl ethanolamide 6450 324.2908 5283454 11-58-0;111-58-0 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* 2990 660.5562 9543786 oleoyl-linoleoyl-glycerol (18:1/18:2) [1] 3115 636.5562 14275396 106292-55-1 oleoylcarnitine (C18:1) 1423 426.3578 6441392 38677-66-6 oleoylcholine 1449 368.3523 59040790 ophthalmate 2085 290.1347 7018721 495-27-2 ornithine 2800 133.0972 6262 3184-13-2 C00077 orotate 1638.1 155.0098 967 50887-69-9 C00295 orotidine 2250 287.0521 92751 314-50-1 oxalate (ethanedioate) 603 88.988 971 144-62-7 C00209 oxindolylalanine 2756 221.0921 20977764 p-cresol glucuronide* 2420 283.0823 154035 17680-99-8 palmitate (16:0) 5618 255.233 985 57-10-3 C00249 palmitoleate (16:1n7) 5475 253.2173 445638 373-49-9 C08362 palmitoleoylcarnitine (C16:1)* 1357 398.3265 71464547 palmitoloelycholine 1385 340.321 palmitoyl CoA 2600 501.6652 644109 188174-64-3 C00154 palmitoyl dihydrosphingomyelin (d18:0/16:0)* 2290 705.5905 9939965 palmitoyl ethanolamide 6300 298.2752 4671 544-31-0 C16512 palmitoyl sphingomyelin (d18:1/16:0) 2168 703.5749 9939941 6254-89-3 palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]* 2749 658.5405 9543827 palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [2]* 2830 658.5405 9543827 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* 3197 610.5405 131801744 palmitoylcarnitine (C16) 1425 400.3421 461 6865-14-1 C02990 palmitoylcholine 1482 342.3367 151731 pantetheine 2056 279.1373 439322 496-65-1 C00831 pantothenate (Vitamin B5) 1498.7 218.1034 6613 137-08-6 C00864 pentadecanoylcarnitine (C15)* 1362 386.3265 123132011 phenol sulfate 2156 172.9914 74426 937-34-8 C02180 phenylacetylglycine 2375 192.0666 68144 500-98-1 C05598 phenylalanine 2878 166.0863 6140 63-91-2 C00079 phenylalanylalanine 2745 235.1088 5488196 3918-87-4 phenylalanylglycine 2898 223.1077 6992304 721-90-4 phenyllactate (PLA) 908 165.0557 3848 828-01-3 C05607 phosphate 608 96.9696 1061 7664-38-2 C00009 phosphoenolpyruvate (PEP) 587.3 166.9751 1005 10526-80-4 C00074 phosphoethanolamine (PE) 638 140.0118 1015 1071-23-4 C00346 phosphopantetheine 1597 357.0891 987 NA C01134 phytosphingosine 1367 318.3003 122121 554-62-1 C12144 pipecolate 2200 130.0863 4043-87-2 prolylhydroxyproline 2128 229.1183 11902893 18684-24-7 proline 1603 116.0706 145742;614;8988 147-85-3 C00148,C000763 prolylglycine 2136 173.0921 6426709 2578-57-6 propionylcarnitine (C3) 2590 218.1387 107738 17298-37-2 C03017 pseudouridine 800 245.0768 15047 1445-07-4 C02067 putrescine 3027 89.1073 1045 110-60-1 C00134 pyridoxal 2343 168.0655 1050 65-22-5 C00250 pyridoxal phosphate 943 246.0173 1051 41468-25-1 C00018 pyridoxamine 2975 169.0972 1052 58052-48-5 C00534 pyridoxamine phosphate 1932 249.0635 1053 529-96-4 C00647 pyridoxate 846 182.0459 6723 82-82-6 C00847 pyrraline 2750 255.1339 14274616 74509-14-1 C21013 pyruvate 2650 175.0248 1060 127-17-3 C00022 quinolinate 845 168.0291 1066 89-00-9 C03722 retinol (Vitamin A) 1636 269.2264 445354 68-26-8 C00473 ribitol 1789.6 151.0612 6912 488-81-3 C00532,C01904,C00474,C00379 ribonate 2425 165.0405 5460677 8/3/5336 C01685 ribose 1508.2 195.051 5779 50-69-1 C00121 ribose 1-phosphate 4025 229.0119 439236 50-99-7;58459-37-3 C00620 ribulose/xylulose 1400 195.051 151261;5289590 ribulose/xylulose 5-phosphate 3888 229.0119 439184;439190 C00199,C00231 S-(1,2-dicarboxyethyl)glutathione 543 422.0875 9802383 1115-52-2 S-adenosylhomocysteine (SAH) 1832.4 383.1143 439155 979-92-0 C00021 S-adenosylmethionine (SAM) 3002 399.1445 34755 24346-00-7;86867-01-8;86867-0108 C00019 S-lactoylglutathione 1248 378.0977 440018 54398-03-7 C03451 S-methylcysteine 1955 119.0161 88180;7058174;24417 1187-84-4 S-methylglutathione 1075 320.0922 115260 2922-56-7 C11347 salicylate 802 137.0242 338 69-72-7 C00805 sarcosine 1280 90.055 1088 107-97-1 C00213 sebacate (C10-DC) 1788 201.1132 5192 111-20-6 C08277 sedoheptulose 2255 209.0667 5459879 3019-74-7 C02076 sedoheptulose-7-phosphate 599.6 289.033 616 2646-35-7 C05382 serine 1239 106.0499 5951 56-45-1 C00065 serotonin 2550 177.1022 5202 153-98-0 C00780 spermidine 3355 146.1652 1102 124-20-9 C00315 spermine 3350 203.223 1103 71-44-3 C00750 sphingadienine 1350 298.2741 6449795 25696-03-1 sphinganine 1413 302.3054 3126 3102-56-5 C00836 sphinganine-1-phosphate 1431 382.2717 520 19794-97-9 sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)* 2082 689.5592 121999-58-4 sphingomyelin (d18:0/18:0, d19:0/17:0)* 2500 733.6218 44260130 sphingomyelin (d18:0/20:0, d16:0/22:0)* 2850 761.6531 sphingomyelin (d18:1/14:0, d16:1/16:0)* 1998 675.5436 11433862 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) 2350 717.5905 46891763 121999-64-2 sphingomyelin (d18:1/18:1, d18:2/18:0) 2167 729.5905 6443882 108392-10-5 sphingomyelin (d18:1/19:0, d19:1/18:0)* 2550 745.6218 sphingomyelin (d18:1/20:0, d16:1/22:0)* 2800 759.6375 44260124 sphingomyelin (d18:1/20:1, d18:2/20:0)* 2450 757.6218 222403-67-0 sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* 3000 773.6531 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* 2775 785.6531 sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* 2350 783.6375 sphingomyelin (d18:1/24:1, d18:2/24:0)* 3200 813.6844 44260126 94359-13-4 sphingomyelin (d18:2/16:0, d18:1/16:1)* 2002 701.5592 sphingomyelin (d18:2/21:0, d16:2/23:0)* 2500 771.6375 sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* 3000 799.6687 134757653 sphingomyelin (d18:2/23:1)* 2500 797.6531 sphingomyelin (d18:2/24:1, d18:1/24:2)* 2750 811.6687 85336023 sphingomyelin (d18:2/24:2)* 2400 809.6531 sphingosine 1393 300.2897 5280335 123-78-4 C00319 sphingosine 1-phosphate 1375 380.256 5283560 26993-30-6 C06124 stachydrine 1440 144.1019 115244 4136-37-2 C10172 stearate (18:0) 5872 283.2643 5281 57-11-4 C01530 stearidonate (18:4n3) 5395 275.2017 5312508 111174-40-4 C16300 stearoyl ethanolamide 1787 328.321 27902 111-57-9 stearoyl sphingomyelin (d18:1/18:0) 2450 731.6062 6453725 85187-10-6;85187-10-6 C00550 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* 3522 662.5718 6438587 stearoylcarnitine (C18) 1485 428.3734 3006797 18822-91-8 succinate 3149 117.0193 1110 110-15-6 C00042 succinoyltaurine 615 224.0234 succinylcarnitine (C4-DC) 2291 262.1285 71464481 256928-74-2 sucrose 3092 387.1144 5988 57-50-1 C00089 sulfate* 616 96.9601 5152822 14808-79-8 C00059 tartronate (hydroxymalonate) 610 118.9986 45 80-69-3 C02287 taurine 660 126.022 1123 107-35-7 C00245 taurocholate 5150 514.2844 46783527;6675 145-42-6 C05122 taurocyamine 710 168.0437 68340 543-18-0 C01959 taurohyodeoxycholic acid 5073 498.2895 12443252 38411-85-7 tetracosadienoylcarnitine (C24:2)* 1542 508.4361 tetradecadienoate (14:2)* 5292 223.1704 5312409 39039-37-7 thiamin (Vitamin B1) 3050 265.1118 1130 59-43-8 DG00125,C00378,D08580 thiamin diphosphate 1195.1 423.0299 1132 154-87-0 C00068 thiamin monophosphate 1448 343.0635 1131;3382778 532-40-1 C01081 thioproline 1250 134.027 93176 34592-47-4 threonate 2384 135.0299 5460407;151152 70753-61-6 C01620 threonine 1514 120.0655 6288 72-19-5 C00188 thymidine 1963.7 241.083 5789 50-89-5 C00214 TMP 883 321.0493 9700 33430-62-5 C00364 thymine 1654 125.0357 1135 65-71-4 C00178 tiglyl carnitine (C5) 2962 244.1543 22833596 64191-86-2 hydroxyproline 1064 132.0655 5810 51-35-4 C01157 tricosanoyl sphingomyelin (d18:1/23:0)* 3350 801.6844 trigonelline (N'-methylnicotinate) 1388 138.055 5570 535-83-1 C01004 trimethylamine N-oxide 2100 76.0757 1145 1184-78-7 C01104 tryptophan 2986 205.0972 6305 73-22-3 C00078 tyrosine 2430 182.0812 6057 60-18-4 C00082 tyrosylglycine 1635 237.0881 7021854 673-05-5 UDP-glucose/UDP-galactose 645 565.0496 8629;23724458 C00052,C00029 UDP-glucuronate 588 579.027 17473 28053-08-9;63700-19-6 C00167 UDP-N-acetylglucosamine/galactosamine 3665 606.0743 44576;1167 C00203,C00043 uracil 1089.7 111.02 1174 66-22-8 C00106 urate 757.1 167.0211 1175 69-93-2;120K5305 C00366 urea 700 121.072 1176 57-13-6 C00086 uridine 1457.6 243.0623 6029 58-96-8 C00299 uridine 5'-diphosphate (UDP) 599.5 402.9949 6031 21931-53-3 C00015 UMP 4150 323.0286 6030 3387-36-8 C00105 uridine 5'-triphosphate (UTP) 572 482.9613 6133 19817-92-6 C00075 valine 2479 118.0863 6287 72-18-4 C00183 valylglutamine 1484 244.1303 5253209 42854-54-6 valylglycine 1506 173.0932 136487 686-43-1 valylleucine 3138 231.1703 352039 22906-55-4 xanthine 1032 153.0407 1188 69-89-6 C00385 xanthosine 1075 283.0684 64959 146-80-5 C01762 ximenoylcarnitine (C26:1)* 1607 538.483 METABOLITES_END #END