#METABOLOMICS WORKBENCH mjayaram_20210920_093217 DATATRACK_ID:2852 STUDY_ID:ST001983 ANALYSIS_ID:AN003234 VERSION 1 CREATED_ON 03-03-2022 #PROJECT PR:PROJECT_TITLE Metabolomic Fingerprinting of Human High Grade Serous Ovarian Carcinoma Cell PR:PROJECT_TITLE Lines PR:PROJECT_TYPE Cell line analysis PR:PROJECT_SUMMARY Focusing on defining the metabolomic basis of intratumoral heterogeneity in PR:PROJECT_SUMMARY ovarian cancer, the metabolic diversity of a panel of high grade serous ovarian PR:PROJECT_SUMMARY carcinoma (HGSOC) cell-lines we investigated using a metabolomics platform that PR:PROJECT_SUMMARY interrogate 731 compounds. Metabolic fingerprinting followed by 2-dimensional PR:PROJECT_SUMMARY and 3-dimensional principal component analysis defined the heterogeneity of the PR:PROJECT_SUMMARY HGSOC cells and clustered them into five distinct metabolic groups. An overall PR:PROJECT_SUMMARY increase in the metabolites associated with aerobic glycolysis and phospholipid PR:PROJECT_SUMMARY metabolism were observed in the majority of the cancer cells. A preponderant PR:PROJECT_SUMMARY increase in the levels of metabolites involved in trans-sulfuration and PR:PROJECT_SUMMARY glutathione synthesis was also observed. Subsets of HGSOC cells showed an PR:PROJECT_SUMMARY increase in the levels of 5-Hydroxytryptamine, gamma-aminobutyric acid, or PR:PROJECT_SUMMARY glutamate, pointing to their potential role as oncometabolites. In summary, our PR:PROJECT_SUMMARY results identify increased glycolysis, phospholipid metabolism and amino acid PR:PROJECT_SUMMARY metabolism with the resultant increase in the levels of 5-Hydoxytryptamine, PR:PROJECT_SUMMARY GABA, and Glutamate as metabolomic correlates underlying the heterogeneity of PR:PROJECT_SUMMARY ovarian cancer cell lines. PR:INSTITUTE University of Oklahoma Health Sciences Center PR:DEPARTMENT Cell Biology PR:LABORATORY Danny N Dhanasekaran PR:LAST_NAME Jayaraman PR:FIRST_NAME Muralidharan PR:ADDRESS 975 NE 10th street, BRC1470, Oklahoma City, Oklahoma, 73104, USA PR:EMAIL Muralidharan-Jayaraman@ouhsc.edu PR:PHONE 4052718001 x 30492 PR:DOI http://dx.doi.org/10.21228/M8ZX2N PR:CONTRIBUTORS Danny N. Dhanasekaran, Jihee Ha, Padmaja Dhanasekaran, Mingda Yan #STUDY ST:STUDY_TITLE Metabolomic Fingerprinting of Human High Grade Serous Ovarian Carcinoma Cell ST:STUDY_TITLE Lines ST:STUDY_SUMMARY Focusing on defining the metabolomic basis of intratumoral heterogeneity in ST:STUDY_SUMMARY ovarian cancer, the metabolic diversity of a panel of high grade serous ovarian ST:STUDY_SUMMARY carcinoma (HGSOC) cell-lines we investigated using a metabolomics platform that ST:STUDY_SUMMARY interrogate 731 compounds. Metabolic fingerprinting followed by 2-dimensional ST:STUDY_SUMMARY and 3-dimensional principal component analysis defined the heterogeneity of the ST:STUDY_SUMMARY HGSOC cells and clustered them into five distinct metabolic groups. An overall ST:STUDY_SUMMARY increase in the metabolites associated with aerobic glycolysis and phospholipid ST:STUDY_SUMMARY metabolism were observed in the majority of the cancer cells. A preponderant ST:STUDY_SUMMARY increase in the levels of metabolites involved in trans-sulfuration and ST:STUDY_SUMMARY glutathione synthesis was also observed. Subsets of HGSOC cells showed an ST:STUDY_SUMMARY increase in the levels of 5-Hydroxytryptamine, gamma-aminobutyric acid, or ST:STUDY_SUMMARY glutamate, pointing to their potential role as oncometabolites. In summary, our ST:STUDY_SUMMARY results identify increased glycolysis, phospholipid metabolism and amino acid ST:STUDY_SUMMARY metabolism with the resultant increase in the levels of 5-Hydoxytryptamine, ST:STUDY_SUMMARY GABA, and Glutamate as metabolomic correlates underlying the heterogeneity of ST:STUDY_SUMMARY ovarian cancer cell lines. ST:INSTITUTE University of Oklahoma Health Sciences Center ST:DEPARTMENT Cell Biology ST:LABORATORY Danny N Dhanasekaran ST:LAST_NAME Jayaraman ST:FIRST_NAME Muralidharan ST:ADDRESS 975 NE 10th street, BRC1470, Oklahoma City, Oklahoma, 73104, USA ST:EMAIL Muralidharan-Jayaraman@ouhsc.edu ST:PHONE 4052718001 x 30492 ST:SUBMIT_DATE 2021-09-20 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Female SU:CELL_BIOSOURCE_OR_SUPPLIER OVCAR4 cell line was obtained from Dr. Thomas Hamilton (Fox Chase Cancer Center, SU:CELL_BIOSOURCE_OR_SUPPLIER PA) and OVCAR8 cells were from National Cancer Institute (NCI). Kuramochi, SU:CELL_BIOSOURCE_OR_SUPPLIER TYKNU, OVKATE and OVSAHO cell lines were from the JCRB Cell Bank, Tokyo, Japan. SU:CELL_BIOSOURCE_OR_SUPPLIER SNU119, SNU251, ES-2, OVCAR3, CAOV3 and OV90 cells were from Seoul National SU:CELL_BIOSOURCE_OR_SUPPLIER University, Seoul, Korea, and COV362, OAW28 and COV318 cells were purchased from SU:CELL_BIOSOURCE_OR_SUPPLIER Sigma-Aldrich (St. Louis, MO). SU:CELL_PASSAGE_NUMBER 3 and 4 SU:CELL_COUNTS 20 million cells #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS Kuramochi OUHSC-1 Treatment:No treatment SUBJECT_SAMPLE_FACTORS OV90 OUHSC-10 Treatment:No treatment SUBJECT_SAMPLE_FACTORS ES-2 OUHSC-11 Treatment:No treatment SUBJECT_SAMPLE_FACTORS SNU251 OUHSC-12 Treatment:No treatment SUBJECT_SAMPLE_FACTORS SNU119 OUHSC-13 Treatment:No treatment SUBJECT_SAMPLE_FACTORS CAOV3 OUHSC-14 Treatment:No treatment SUBJECT_SAMPLE_FACTORS FTE188 (Control) OUHSC-15 Treatment:No treatment SUBJECT_SAMPLE_FACTORS Kuramochi OUHSC-16 Treatment:No treatment SUBJECT_SAMPLE_FACTORS OVSAHO OUHSC-17 Treatment:No treatment SUBJECT_SAMPLE_FACTORS COV362 OUHSC-18 Treatment:No treatment SUBJECT_SAMPLE_FACTORS COV318 OUHSC-19 Treatment:No treatment SUBJECT_SAMPLE_FACTORS OVSAHO OUHSC-2 Treatment:No treatment SUBJECT_SAMPLE_FACTORS TYNKU OUHSC-20 Treatment:No treatment SUBJECT_SAMPLE_FACTORS OAW28 OUHSC-21 Treatment:No treatment SUBJECT_SAMPLE_FACTORS OVKATE OUHSC-22 Treatment:No treatment SUBJECT_SAMPLE_FACTORS OVCAR4 OUHSC-23 Treatment:No treatment SUBJECT_SAMPLE_FACTORS OVCAR3 OUHSC-24 Treatment:No treatment SUBJECT_SAMPLE_FACTORS OV90 OUHSC-25 Treatment:No treatment SUBJECT_SAMPLE_FACTORS ES-2 OUHSC-26 Treatment:No treatment SUBJECT_SAMPLE_FACTORS SNU251 OUHSC-27 Treatment:No treatment SUBJECT_SAMPLE_FACTORS SNU119 OUHSC-28 Treatment:No treatment SUBJECT_SAMPLE_FACTORS CAOV3 OUHSC-29 Treatment:No treatment SUBJECT_SAMPLE_FACTORS COV362 OUHSC-3 Treatment:No treatment SUBJECT_SAMPLE_FACTORS FTE188 (Control) OUHSC-30 Treatment:No treatment SUBJECT_SAMPLE_FACTORS COV318 OUHSC-4 Treatment:No treatment SUBJECT_SAMPLE_FACTORS TYNKU OUHSC-5 Treatment:No treatment SUBJECT_SAMPLE_FACTORS OAW28 OUHSC-6 Treatment:No treatment SUBJECT_SAMPLE_FACTORS OVKATE OUHSC-7 Treatment:No treatment SUBJECT_SAMPLE_FACTORS OVCAR4 OUHSC-8 Treatment:No treatment SUBJECT_SAMPLE_FACTORS OVCAR3 OUHSC-9 Treatment:No treatment #COLLECTION CO:COLLECTION_SUMMARY Immortalized normal fallopian-tube-derived epithelial cells (FTE188) have been CO:COLLECTION_SUMMARY previously described and used here (1). High grade serous carcinoma cell line CO:COLLECTION_SUMMARY OVCAR3, OVCAR8, OVKATE, SNU119, SNU251, OVCAR4, OVSAHO, and Kuramochi cells were CO:COLLECTION_SUMMARY maintained in Roswell Park Memorial Institute (RPMI) 1640 medium (Cellgro, CO:COLLECTION_SUMMARY Manassas, VA), COV362, COV318, OAW28 and CAOV3 cells were maintained in CO:COLLECTION_SUMMARY Dulbecco’s modified Eagle’s (DMEM) Medium (Cellgro, Manassas, VA). OV90 CO:COLLECTION_SUMMARY cells were maintained in MCDB105: M199 (1:1) Medium (Thermo Fisher Scientific, CO:COLLECTION_SUMMARY Waltham, MA) and TYKNU cells were maintained in Minimum Essential Medium (MEM) CO:COLLECTION_SUMMARY (Cellgro, Manassas, VA). ES-2 cells were maintained in McCoy’s 5A medium CO:COLLECTION_SUMMARY (Sigma-Aldrich, St. Louis, MO). All cells were maintained at 37°C in a 5% CO2 CO:COLLECTION_SUMMARY incubator. All media were supplemented with 10% FBS (Gemini Bio-Products, West CO:COLLECTION_SUMMARY Sacramento, CA), 50 U/mL penicillin, 50 μg/ml streptomycin (Cellgro, Manassas, CO:COLLECTION_SUMMARY VA). Cells were grown to 20 million cells and washed with cold PBS. Cells were CO:COLLECTION_SUMMARY collected by scraping them off the plates. CO:SAMPLE_TYPE Ovarian cancer cells CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No treatment was done. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were prepared using the automated MicroLab STAR® system from Hamilton SP:SAMPLEPREP_SUMMARY Company. Several recovery standards were added prior to the first step in the SP:SAMPLEPREP_SUMMARY extraction process for QC purposes. In order to dissociate small molecules bound SP:SAMPLEPREP_SUMMARY to or trapped in proteins, lysate was precipitated with methanol under vigorous SP:SAMPLEPREP_SUMMARY shaking for 2 min (Glen Mills GenoGrinder 2000) followed by centrifugation. The SP:SAMPLEPREP_SUMMARY resulting extract was divided into five fractions: two for analysis by two SP:SAMPLEPREP_SUMMARY separate reverse phase (RP)/UPLC-MS/MS methods with positive ion mode SP:SAMPLEPREP_SUMMARY electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with negative SP:SAMPLEPREP_SUMMARY ion mode ESI, one for analysis by HILIC/UPLC-MS/MS with negative ion mode ESI, SP:SAMPLEPREP_SUMMARY and one sample was reserved for backup. Samples were placed briefly on a SP:SAMPLEPREP_SUMMARY TurboVap® (Zymark) to remove the organic solvent. The sample extracts were SP:SAMPLEPREP_SUMMARY stored overnight under nitrogen before preparation for analysis. SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:INSTRUMENT_NAME Waters ACQUITY ultra-performance liquid chromatography (UPLC) CH:COLUMN_NAME C18 column (Waters UPLC BEH C18-2.1x100 mm, 1.7 µm) CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS All methods utilized a Waters ACQUITY ultra-performance liquid chromatography MS:MS_COMMENTS (UPLC) and a Thermo Scientific Q-Exactive high resolution/accurate mass MS:MS_COMMENTS spectrometer interfaced with a heated electrospray ionization (HESI-II) source MS:MS_COMMENTS and Orbitrap mass analyzer operated at 35,000 mass resolution. The sample MS:MS_COMMENTS extract was dried then reconstituted in solvents compatible to each of the four MS:MS_COMMENTS methods. Each reconstitution solvent contained a series of standards at fixed MS:MS_COMMENTS concentrations to ensure injection and chromatographic consistency. One aliquot MS:MS_COMMENTS was analyzed using acidic positive ion conditions, chromatographically optimized MS:MS_COMMENTS for more hydrophilic compounds. In this method, the extract was gradient eluted MS:MS_COMMENTS from a C18 column (Waters UPLC BEH C18-2.1x100 mm, 1.7 µm) using water and MS:MS_COMMENTS methanol, containing 0.05% perfluoropentanoic acid (PFPA) and 0.1% formic acid MS:MS_COMMENTS (FA). Another aliquot was also analyzed using acidic positive ion conditions, MS:MS_COMMENTS however it was chromatographically optimized for more hydrophobic compounds. In MS:MS_COMMENTS this method, the extract was gradient eluted from the same afore mentioned C18 MS:MS_COMMENTS column using methanol, acetonitrile, water, 0.05% PFPA and 0.01% FA and was MS:MS_COMMENTS operated at an overall higher organic content. Another aliquot was analyzed MS:MS_COMMENTS using basic negative ion optimized conditions using a separate dedicated C18 MS:MS_COMMENTS column. The basic extracts were gradient eluted from the column using methanol MS:MS_COMMENTS and water, however with 6.5mM Ammonium Bicarbonate at pH 8. The fourth aliquot MS:MS_COMMENTS was analyzed via negative ionization following elution from a HILIC column MS:MS_COMMENTS (Waters UPLC BEH Amide 2.1x150 mm, 1.7 µm) using a gradient consisting of water MS:MS_COMMENTS and acetonitrile with 10mM Ammonium Formate, pH 10.8. The MS analysis alternated MS:MS_COMMENTS between MS and data-dependent MSn scans using dynamic exclusion. The scan range MS:MS_COMMENTS varied slighted between methods but covered 70-1000 m/z. Raw data files are MS:MS_COMMENTS archived and extracted using proprietary, Metabolon LIMS data structures and MS:MS_COMMENTS analysis software (Metabolon Inc, Durham). Briefly, raw data was extracted, MS:MS_COMMENTS peak-identified and QC processed using Metabolon’s hardware and software. MS:MS_COMMENTS Biochemical identifications are based on three criteria: retention index within MS:MS_COMMENTS a narrow RI window of the proposed identification, accurate mass match to the MS:MS_COMMENTS library +/- 10 ppm, and the MS/MS forward and reverse scores between the MS:MS_COMMENTS experimental data and authentic standards. MS:ION_MODE UNSPECIFIED #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ratio MS_METABOLITE_DATA_START Samples OUHSC-1 OUHSC-10 OUHSC-11 OUHSC-12 OUHSC-13 OUHSC-14 OUHSC-15 OUHSC-16 OUHSC-17 OUHSC-18 OUHSC-19 OUHSC-2 OUHSC-20 OUHSC-21 OUHSC-22 OUHSC-23 OUHSC-24 OUHSC-25 OUHSC-26 OUHSC-27 OUHSC-28 OUHSC-29 OUHSC-3 OUHSC-30 OUHSC-4 OUHSC-5 OUHSC-6 OUHSC-7 OUHSC-8 OUHSC-9 Factors Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment Treatment:No treatment 10-heptadecenoate (17:1n7) 1.3725 3.1143 0.3162 2.4578 1.0422 1.4394 2.7436 1.2229 2.6603 0.2804 0.3529 1.9648 0.1699 0.6067 1.3304 0.3680 0.8378 2.9938 0.3672 2.1474 0.5386 1.2581 0.3860 2.0851 0.5335 0.3918 0.8482 0.9795 0.3556 1.0205 10-nonadecenoate (19:1n9) 0.9855 1.6927 0.3630 4.1242 2.0216 2.7518 1.7472 0.7586 0.9870 1.4381 1.1069 0.7460 0.3754 0.8113 0.8811 0.4840 0.4897 1.6455 0.4428 3.4669 1.1135 2.4070 1.7634 1.5240 1.3545 0.7264 1.0130 0.6950 0.4633 0.5383 1-(1-enyl-oleoyl)-GPE (P-18:1)* 1.2254 1.0499 0.2044 0.5645 0.1662 1.6085 0.6234 1.5063 1.0595 0.4985 0.9412 0.9522 1.0762 1.0745 1.5016 0.4100 1.6273 0.8413 0.2181 0.5051 0.1474 1.3788 0.4825 0.6189 1.0478 1.2437 1.1176 1.7772 0.3598 2.0008 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* 0.9770 1.6844 0.3329 0.8936 2.5175 1.0135 1.2438 1.0006 0.4409 1.0810 1.8763 0.3875 0.3909 1.8250 2.9773 0.6567 0.5153 1.4201 0.3492 0.8323 3.0280 0.9994 1.0672 0.6689 1.8927 0.4099 1.9885 2.3573 0.5614 0.4796 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 1.5946 1.0381 0.5638 0.6879 0.6220 0.9651 0.6629 1.7205 1.2654 1.0049 0.6036 1.1818 0.8412 1.2242 1.5760 1.1843 1.3161 1.0079 0.5762 0.7194 0.6842 0.9375 0.9951 0.6618 0.6306 0.8332 1.2973 1.3181 1.0305 1.2062 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 1.1553 2.7807 1.1937 0.3601 1.3771 0.3478 0.3112 1.3317 1.4894 0.7148 0.3046 1.3660 0.7956 1.0184 2.0505 0.8084 1.4921 2.8470 1.1589 0.4411 1.2816 0.3355 0.6005 0.5205 0.3747 0.9090 0.9816 1.7917 0.7048 1.3117 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 1.6808 0.8395 1.7212 0.1434 0.2990 0.2798 0.3496 1.9610 3.2856 0.4659 0.1481 3.4507 1.1924 0.9088 1.5808 1.2627 4.7565 1.1170 1.6087 0.1893 0.2243 0.2685 0.3633 0.3343 0.0789 1.2377 0.7934 1.3126 1.0912 3.7135 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 1.2156 2.5597 1.3781 0.4485 0.9902 0.6137 0.4688 1.3454 1.4920 0.8968 0.4859 1.3591 0.7783 0.9994 2.2862 1.0099 1.2326 2.3523 1.3537 0.5180 1.0271 0.5772 0.8029 0.7135 0.4340 0.8188 1.0006 1.9526 0.8455 1.1048 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 2.2522 2.2049 1.3553 0.3611 0.2411 0.8105 0.5940 2.2930 2.6593 0.9762 0.1868 2.6130 0.6569 0.9308 1.3221 1.7803 2.6850 2.0694 1.3041 0.4062 0.2562 0.7942 0.8506 0.6668 0.1471 0.6674 1.0238 1.1130 1.5941 2.6083 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* 0.9900 3.3312 1.0855 0.5164 0.8861 1.0630 0.3514 1.1225 1.2735 0.8555 0.3099 1.1427 0.5799 4.2113 3.3487 0.7544 2.5628 3.3166 1.0771 0.5722 0.8450 1.0100 0.7088 0.5655 0.2991 0.6675 4.0269 2.9601 0.6583 1.9827 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 1.0894 1.9440 0.5979 1.0203 1.2032 1.0971 0.3740 1.1921 0.5099 0.9955 0.4042 0.4693 0.5941 2.4819 1.1944 0.6846 1.0968 1.8595 0.5984 1.1460 1.2823 1.0321 0.8838 0.6142 0.4088 0.5093 2.6779 1.0028 0.6062 0.9972 1-(1-enyl-palmitoyl)-GPC (P-16:0)* 0.7658 1.3212 0.6029 0.8913 0.6150 2.0930 0.3809 0.7837 1.4419 0.6239 1.1301 1.2168 1.1163 1.8821 1.6505 0.7123 1.0037 0.9963 0.6171 0.9576 0.5888 1.8888 0.5794 0.4037 1.2339 1.3376 2.2544 1.8248 0.6174 1.3156 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 1.4483 1.0983 0.3634 0.5934 0.1497 1.2060 0.3313 1.5491 2.2709 0.4279 0.6822 2.0879 2.1581 2.7240 1.5862 1.0279 2.2745 0.8749 0.4029 0.5264 0.1308 0.9721 0.4170 0.4080 0.7869 2.4589 3.0605 1.7269 0.9420 2.7305 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 2.5791 1.5583 0.7865 0.9747 1.4999 0.7000 0.9908 2.7065 0.8367 1.0712 1.2019 0.8516 1.1699 0.4008 2.7923 0.5392 0.6668 1.4857 0.7940 1.0150 1.6184 0.6683 1.0092 0.9192 1.1060 1.1650 0.4024 2.2909 0.5002 0.6083 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* 2.3524 2.4446 1.9976 0.4085 0.8034 0.6577 0.6539 2.6857 2.3718 1.0195 0.3173 2.4762 1.2781 0.6998 1.9416 0.4538 1.2305 2.7147 2.0697 0.3506 0.7413 0.7592 0.9805 0.7420 0.2660 1.3682 0.5243 1.6907 0.4471 1.4985 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 4.6000 3.7992 4.3049 0.6613 0.9144 0.3528 0.4737 4.7445 2.1890 1.0500 0.5044 2.4089 1.4738 0.3646 2.9514 0.9500 1.3607 4.2871 4.4886 0.7682 0.9252 0.3282 0.9412 0.5999 0.3213 1.4061 0.3553 2.5911 0.9108 1.1591 1-(1-enyl-stearoyl)-GPE (P-18:0)* 2.6612 1.9336 0.9916 1.0084 0.4832 0.6917 0.6517 3.0721 1.9109 0.4756 1.7669 1.8264 3.5238 0.9744 3.2464 0.5953 0.9812 1.4586 1.0601 0.9804 0.4499 0.9568 0.6313 0.7955 1.7145 3.8679 0.9657 3.5113 0.5023 1.1277 1_2-dilinoleoyl-GPC (18:2/18:2) 1.4902 1.5007 2.2363 0.7502 1.2747 0.3790 1.5249 1.5093 1.5160 0.6102 0.7144 1.2915 2.0240 0.7614 0.5697 0.6161 0.3790 1.4074 2.3790 0.9208 1.2449 0.4650 0.4597 1.0792 0.6698 2.1716 0.8155 0.5056 0.5913 0.3790 1_2-dioleoyl-GPC (18:1/18:1) 1.6747 2.2489 1.3812 0.9892 1.3162 1.0259 0.9786 2.1249 0.7177 1.2741 0.7897 0.6921 1.0108 0.7262 1.0576 0.9052 0.9568 2.3444 1.2062 1.1359 1.4278 0.9309 1.1530 1.0792 0.8134 0.9746 0.6132 0.8558 0.7324 0.5937 1_2-dioleoyl-GPE (18:1/18:1) 2.2651 2.9550 1.5850 0.7711 0.9595 1.0476 1.4153 2.4592 0.9468 1.6064 0.7022 0.8549 0.7030 0.8490 0.4920 1.2316 1.6592 3.2060 1.2518 0.8956 0.8151 1.0405 1.3653 1.5390 0.4926 0.5991 0.7231 0.4524 0.9401 1.4434 1_2-dioleoyl-GPG (18:1/18:1) 1.0648 2.2389 0.8322 1.3908 1.0013 0.9388 1.2069 0.9808 0.6579 1.2844 0.5738 0.5559 0.6020 0.9783 1.4079 0.6174 1.5826 1.7358 0.7817 1.3887 1.0578 0.9140 1.2001 1.2386 0.6389 0.6677 0.9987 1.2800 0.5259 1.3911 1_2-dioleoyl-GPI (18:1/18:1) 1.9825 1.9926 1.5469 0.9280 1.5260 0.7217 1.0633 2.2285 1.0022 0.9302 0.2892 0.8345 0.6909 1.2437 1.1360 0.8431 1.1448 1.8708 1.5301 0.9306 1.2086 0.9353 0.9560 0.8541 0.3755 0.9018 1.0843 0.9978 0.6194 1.0896 1_2-dioleoyl-GPS (18:1/18:1) 1.0477 4.7715 0.6571 0.8892 1.2308 1.3536 0.6134 1.9810 0.5585 1.7885 0.6818 0.3606 0.4393 1.6591 0.3040 0.9523 1.8383 5.3039 0.6164 1.2801 0.8453 1.1275 1.3918 1.3520 0.3669 0.3878 1.5092 0.2348 0.7590 1.3179 1_2-dipalmitoleoyl-GPC (16:1/16:1)* 1.5074 3.4625 0.9812 0.6134 0.4332 1.0674 0.9321 1.5565 2.1713 0.8241 0.3588 1.9082 0.6829 4.4507 1.7096 0.7375 5.3660 2.9636 0.9532 0.6357 0.4646 1.0188 0.7735 1.1009 0.3051 0.7312 4.7011 1.5039 0.6485 4.7307 1_2-dipalmitoleoyl-GPE (16:1/16:1)* 1.4548 2.3150 1.1862 0.2362 0.0413 0.3293 0.4048 1.5290 3.2390 0.1708 0.0413 2.9023 0.4087 2.7896 0.2892 1.0962 15.0631 2.1970 1.1458 0.2720 0.0413 0.3434 0.0413 0.7305 0.0413 0.4756 2.6284 0.1962 0.9038 13.2033 1_2-dipalmitoyl-GPC (16:0/16:0) 1.8799 1.1668 0.8517 1.6855 1.4895 1.3567 0.9734 1.4539 1.1168 0.9873 0.5844 1.0131 0.8673 1.1687 0.6525 0.6558 0.9410 0.9490 0.8439 1.5024 1.8423 1.2964 1.1168 0.5947 0.6100 0.7789 1.4311 0.5467 0.6150 1.0127 1_2-dipalmitoyl-GPE (16:0/16:0)* 1.3773 0.7757 1.0920 0.7990 0.9761 0.9271 1.1143 1.4380 2.0425 1.3186 0.3958 2.2054 0.4489 1.0239 0.7384 0.7261 2.5334 1.1872 1.2854 0.8915 1.0547 0.8423 1.2155 0.8161 0.2511 0.3922 1.0814 0.7244 0.7610 2.3751 1_2-dipalmitoyl-GPG (16:0/16:0) 1.0000 0.0881 0.9799 1.1311 0.1659 1.4194 0.5251 0.8139 4.1417 0.2713 0.0881 3.2922 0.2176 0.0881 1.2172 1.1969 1.1999 0.0881 0.8394 1.0222 0.0881 1.3018 0.0881 0.7844 0.3390 0.2528 0.0943 1.5307 1.0321 1.3410 13-HODE + 9-HODE 7.0657 39.6822 1.4757 0.9073 3.2679 0.7826 0.9350 9.0466 4.2625 0.3910 0.2583 4.1207 0.5947 0.2854 2.2041 0.7314 1.2579 31.9027 1.3682 0.2489 0.8963 0.5208 0.6681 1.0650 0.3501 0.8892 1.0793 3.8875 0.3330 1.1340 15-methylpalmitate 1.5024 2.4367 0.8939 1.7185 0.9934 1.1013 1.9315 1.2040 2.3513 0.5062 0.5322 1.8986 0.6220 0.9007 1.4020 0.5578 0.8060 1.9042 1.0838 1.2842 0.8953 0.9751 0.8595 1.2845 0.8147 0.9699 1.1401 1.0066 0.4942 0.9922 16-hydroxypalmitate 1.4439 0.6209 3.6138 1.6394 16.9350 0.3135 0.2165 1.6886 5.5363 0.5917 0.0387 5.9885 0.6915 0.1427 0.9929 0.3157 1.0905 1.0071 2.7886 1.4224 8.6298 0.5356 0.4025 0.4557 0.2242 1.4492 0.4053 1.8584 0.0808 1.1288 17-methylstearate 1.1135 1.0236 0.5988 1.3339 1.4263 1.1240 1.3216 0.5137 1.1751 0.8378 1.0128 0.7381 0.6710 0.8292 1.4061 0.5383 0.6104 1.3157 0.9247 1.3833 0.8628 0.9872 1.5071 1.1234 1.0566 0.9153 1.2257 0.8696 0.3570 0.5179 1-arachidonoyl-GPC (20:4n6)* 0.8275 0.7213 0.2765 1.1299 2.5756 1.0019 1.4884 0.8906 1.1796 0.4590 0.8146 1.2931 1.9800 0.9981 2.0440 0.4497 1.0789 0.5071 0.4130 0.9565 3.0322 0.9749 0.4942 0.8827 1.2996 2.3003 1.3425 1.3750 0.3485 1.3345 1-arachidonoyl-GPE (20:4n6)* 2.6630 1.7134 0.5413 0.6491 0.9831 1.1010 1.0046 1.6966 1.4094 0.9511 0.4083 1.5352 0.6278 0.9256 2.4535 0.5689 1.1211 1.3334 0.3918 0.8988 1.3589 1.0050 0.5799 1.3795 0.7228 0.6081 0.9954 1.1524 0.4049 1.2267 1-arachidonoyl-GPI (20:4)* 1.9615 3.7221 0.0819 0.9836 1.0233 0.3084 4.5979 1.7298 2.2462 0.2894 0.8036 3.2708 0.2610 0.7769 3.2944 0.0819 1.2816 3.1653 0.0820 1.0000 0.2450 0.1558 0.3039 2.5781 2.1390 0.5096 0.7570 1.7110 0.1040 1.5297 1-arachidonylglycerol (20:4) 0.2577 0.1268 0.1268 0.8732 0.9762 0.2294 0.8293 0.1268 2.5574 0.1268 6.9819 1.4299 0.1268 3.3189 1.0238 0.1268 3.8581 0.1268 0.1268 0.7991 1.1408 0.2495 0.1844 0.8255 5.1682 0.1268 3.4697 0.1268 0.1268 3.6984 1-dihomo-linolenylglycerol (20:3) 0.2561 0.2824 0.2561 1.0234 0.4198 0.7762 0.4375 0.2561 2.5582 0.2561 4.4723 1.3130 0.2561 8.8077 0.2561 0.2694 15.7922 0.2561 0.2561 1.5891 0.7111 0.9766 0.3124 0.5820 3.5289 0.2561 9.5085 0.2561 0.2561 15.0920 1-dihomo-linoleoylglycerol (20:2) 0.1450 0.2339 0.1450 0.8535 0.6930 0.8761 0.1450 0.1450 0.6423 0.1450 0.1450 0.1450 0.1450 2.0415 0.1450 0.1450 4.3517 0.1450 0.1450 1.6180 1.7165 1.0000 0.1450 0.1450 0.1450 0.1450 3.0493 0.1450 0.1450 3.2862 1-docosahexaenoylglycerol (22:6) 0.4245 0.1410 0.1410 1.3828 0.9165 0.5053 1.2472 0.5281 2.7107 0.4316 3.2240 1.7048 0.1410 1.7286 0.6505 0.3959 2.3550 0.1410 0.1410 1.4909 0.5344 0.5651 1.0178 0.9822 3.2581 0.1410 2.0714 0.1410 0.2546 2.4958 1-lignoceroyl-GPC (24:0) 3.0450 0.1684 1.2643 0.1684 0.7547 0.1684 0.1684 2.7950 0.1873 0.1684 0.5070 0.2021 2.9645 0.1684 1.2432 0.1684 0.1684 0.1684 1.4427 0.1684 0.8223 0.1684 0.1684 0.1684 0.7480 3.2654 0.1684 1.0000 0.1684 0.1684 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* 0.7282 0.5177 0.4837 0.7365 1.5716 0.7151 1.4352 0.7959 1.1452 0.9768 1.4162 1.0232 1.7112 2.7357 1.0359 0.6561 1.4387 0.7007 0.5618 0.9402 1.9076 0.7112 0.5896 1.1244 0.9527 1.6508 2.4992 1.1367 0.6333 1.1786 1-linoleoylglycerol (18:2) 0.4334 0.1096 0.1096 1.0697 1.0000 0.1559 0.8029 0.8957 3.5091 0.1096 3.0626 2.1368 0.1096 7.5959 0.5170 0.1096 6.7670 0.1096 0.1096 1.2333 0.8835 0.2833 0.1096 0.5831 2.9223 0.1096 8.7174 0.1096 0.1903 6.8095 1-linoleoyl-GPC (18:2) 1.2115 2.2771 0.6043 0.7804 0.9087 0.6426 0.8943 1.2978 1.6037 0.3977 0.7690 1.4058 2.3339 2.1097 1.7986 0.3543 2.9244 1.6987 0.6453 0.7632 1.0913 0.3282 0.3044 0.8038 0.7189 2.4972 2.8264 1.7920 0.3229 3.6444 1-linoleoyl-GPE (18:2)* 1.3652 2.4996 0.8640 0.2767 0.4287 0.3221 0.8203 1.8789 2.7107 0.2416 0.3692 2.1548 1.6683 1.7845 1.2432 0.3160 5.1836 2.3303 1.1360 0.3265 0.1600 0.2697 0.3356 0.5097 0.3462 1.5861 2.0196 1.3776 0.4395 5.3322 1-linoleoyl-GPG (18:2)* 0.5299 3.4866 0.6747 0.4387 1.0706 0.3334 1.0984 0.3334 0.6428 0.3334 0.3334 0.4922 0.3334 0.3334 4.5943 0.3334 6.3147 3.2442 0.9185 0.5832 0.9449 0.6660 0.3334 2.4252 1.0551 0.9406 3.0962 4.7519 0.3334 3.9827 1-linoleoyl-GPI (18:2)* 0.6630 1.6095 0.1941 0.2379 0.1941 0.1941 1.9364 0.5405 0.8101 0.1941 0.2373 1.3460 0.1941 1.0000 1.6043 0.1941 3.5449 1.3836 0.1941 0.2001 0.1941 0.1941 0.1941 1.2441 0.6572 0.1941 1.1393 0.4727 0.1941 3.7238 1-methylhistidine 1.0094 0.9906 0.9579 0.8145 1.2329 1.3471 0.6011 1.0337 0.6949 1.0972 1.0418 0.5172 2.3820 0.8441 1.2207 0.8093 1.9301 0.8273 0.9878 0.9067 1.1949 1.3043 1.0182 0.3636 0.8697 1.9397 0.7407 1.0816 0.7295 1.6042 1-methylimidazoleacetate 3.4908 0.9883 1.5177 0.6254 9.0907 0.8212 0.4260 3.6963 0.7793 0.6303 1.3599 0.6100 1.0117 5.7455 1.4787 0.9012 1.7207 0.7138 1.7331 0.5459 9.7493 0.8550 0.5569 0.4148 1.3398 0.5503 5.2710 1.3062 0.7772 1.5043 1-methylnicotinamide 1.5484 3.8889 0.0712 2.8729 0.3747 4.7747 4.8194 1.6661 0.1821 0.8432 1.1170 0.1716 4.0190 0.0018 0.0109 5.1408 0.0253 3.9417 0.0687 3.0312 0.4333 4.9751 0.7161 4.0098 0.8830 3.6122 0.0018 0.0064 4.2266 0.0192 1-myristoylglycerol (14:0) 0.7954 0.8841 0.6999 1.3609 1.5251 0.5801 0.5977 1.1580 5.3026 0.6041 2.1558 4.5158 0.2133 9.0305 1.1007 0.3668 7.8763 0.8170 0.3191 2.1409 1.4091 0.8993 1.6478 0.8010 2.4697 0.3567 10.0154 0.8562 0.5301 8.5261 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* 1.4600 0.8721 0.8045 0.8469 1.0810 1.1816 1.3214 1.5986 1.1875 1.1007 0.9790 1.1788 0.6300 0.8930 0.6372 1.0210 1.3650 0.9702 0.8202 0.9743 1.0576 1.0854 1.1760 1.2591 0.9252 0.6388 0.9056 0.5741 0.9196 1.1578 1-oleoyl-2-arachidonoyl-GPI (18:1/20:4) * 0.9170 0.8612 0.6850 1.1989 1.4868 1.0401 1.6962 0.9957 1.0559 1.2506 1.2668 0.7438 0.3759 1.0263 0.9734 0.6764 0.4607 0.8344 0.6802 1.2269 1.5310 1.0274 1.1172 1.5091 1.0043 0.3866 1.1326 0.8621 0.5423 0.4871 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 1.5382 2.3678 1.6469 1.4056 0.9740 0.4143 1.4233 2.4629 0.6522 0.9647 1.0629 0.4812 1.1499 0.6925 0.7987 0.6207 0.7686 2.6882 1.6331 1.4567 1.2697 0.4592 0.8191 1.2341 1.0260 1.0845 0.6909 0.6247 0.5626 0.8075 1-oleoylglycerol (18:1) 1.1481 0.3019 0.1466 1.1216 0.9163 0.8720 0.7697 0.9359 2.4262 0.1576 1.9916 1.9538 0.0508 2.6955 0.5481 0.1254 2.0200 0.4309 0.1759 1.7964 1.2350 1.0641 0.2292 1.1830 2.0444 0.0508 3.0209 0.0508 0.1411 2.6186 1-oleoyl-GPC (18:1) 1.3997 1.9173 0.6220 0.8420 0.6338 1.1234 0.6520 1.5433 1.3180 0.3395 0.9602 1.2793 2.7152 0.7867 1.2795 0.6479 1.1800 1.4332 0.7084 0.7084 0.6146 0.7878 0.3412 0.4169 1.2073 2.8880 1.0398 1.3443 0.5381 1.8087 1-oleoyl-GPE (18:1) 2.3253 1.9754 0.7057 0.7692 0.4205 1.3759 0.9906 2.4565 2.0955 0.5165 0.8104 2.1993 1.7413 1.2123 0.8092 0.8870 2.5189 1.6165 1.0094 0.6873 0.4092 1.1175 0.5232 0.8049 0.9367 1.8036 1.3807 0.8699 0.8520 3.2337 1-oleoyl-GPG (18:1)* 0.2637 3.1310 1.4159 1.0000 1.3047 0.4540 0.6831 0.2599 0.8182 0.3050 0.9963 0.9969 0.2716 2.7374 2.2515 0.8001 2.7035 2.6606 1.0581 1.1202 0.9795 0.3935 0.2599 1.1724 1.0651 0.3037 2.3445 1.2585 0.6640 2.2092 1-oleoyl-GPI (18:1)* 2.6722 1.9016 0.1116 0.8647 0.7079 0.9761 1.4002 1.9899 1.6381 0.2340 0.5759 1.9383 0.4043 1.0810 1.8462 0.2261 1.5349 2.0586 0.1824 1.3926 0.1790 0.4713 0.2561 1.0292 1.0239 0.8104 1.0840 0.6968 0.2816 1.9724 1-oleoyl-GPS (18:1) 2.0813 4.2670 0.2259 0.7067 1.0423 1.8328 0.9517 1.5269 1.1192 0.2259 0.4275 1.6963 0.7184 1.7363 1.6888 0.4301 1.8115 5.8431 0.5004 0.9949 0.2259 1.5713 0.2759 0.6198 0.6745 0.7130 1.0051 0.7487 0.3345 1.9749 1-palmitoleoyl-2-oleoyl-GPC (16:1/18:1)* 1.9912 4.1301 1.9805 0.5515 0.5347 0.7146 0.8682 2.3222 1.1257 1.2964 0.5532 0.9520 0.7819 1.5021 0.8759 0.8580 2.5390 4.1358 1.8002 0.8265 0.5040 0.6086 1.2316 1.1930 0.3046 1.0480 1.2960 0.6204 0.7714 2.0821 1-palmitoleoyl-2-oleoyl-GPE (16:1/18:1)* 2.6234 3.6223 2.0211 0.3509 0.2522 0.0359 0.5907 2.9539 1.7704 1.1338 0.1786 1.9625 0.6939 1.7478 0.1163 1.8333 6.8245 3.6495 2.3133 0.4010 0.2094 0.0686 0.8662 1.2808 0.1013 0.7478 0.6778 0.2057 1.6193 5.1230 1-palmitoleoyl-2-oleoyl-GPG (16:1/18:1)* 0.3766 0.3766 0.3766 0.3766 0.3766 1.2504 0.3766 0.3766 0.3766 0.3766 0.3766 0.3766 0.6068 6.9384 0.3766 0.3766 14.4843 0.3766 0.3766 0.3766 0.3766 0.7371 0.3766 0.3766 0.3766 0.7274 4.6203 0.7496 0.3766 15.0111 1-palmitoleoyl-2-oleoyl-GPI (16:1/18:1)* 0.3844 0.3844 0.3844 0.8040 0.4198 2.0248 1.1313 0.9069 0.3844 1.0000 0.3844 0.5389 0.3999 12.7755 0.6577 2.8250 4.9631 0.7125 0.4533 0.5013 0.3844 1.7637 1.0215 1.3798 0.3844 0.3844 15.9192 0.7931 2.1932 4.1327 1-palmitoleoylglycerol (16:1)* 0.8489 0.6816 0.1165 0.4453 0.4293 0.9942 0.6477 1.3052 6.2640 0.1165 0.1165 3.8955 0.1165 24.3137 1.1141 0.2176 21.0044 0.9787 0.1165 1.5543 0.3688 1.0058 0.5526 1.0435 1.6161 0.1165 16.7571 0.1165 0.3800 18.2249 1-palmitoleoyl-GPC (16:1)* 1.4236 2.2575 0.4956 0.5498 0.2989 1.1155 0.7730 1.6829 3.5716 0.3589 0.7476 3.3954 1.5150 1.9105 2.5129 0.7970 7.0858 1.7366 0.6112 0.5459 0.3049 0.8845 0.3202 0.6914 0.7683 1.5801 2.7887 1.8688 0.6135 8.3742 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 1.2754 0.8518 0.6600 0.7784 1.0699 0.9623 1.0704 1.3611 1.5090 0.8758 1.2561 1.3499 0.8241 1.0232 1.6155 1.2947 0.9768 0.7736 0.6477 0.8098 1.2056 0.9437 0.8259 0.9282 1.2549 0.8800 1.0476 1.3407 1.1238 0.8808 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 1.5964 0.5981 0.9963 0.6151 0.6385 1.0037 0.7716 1.7754 4.1099 0.8236 1.0644 3.7646 0.9154 1.2600 1.2802 2.4053 2.1579 0.7602 0.9901 0.6789 0.6696 0.9329 0.7470 0.7567 1.2239 0.9305 1.2809 1.1947 2.2242 2.1356 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 1.4492 1.1197 0.3546 0.5685 0.7217 0.8805 0.9124 1.4544 4.1964 0.6590 1.1178 3.4473 0.2236 0.9742 2.2489 1.6760 1.4988 0.9624 0.3011 0.5742 0.8380 0.9136 0.6452 1.2711 1.3067 0.2891 1.0258 1.8993 1.3732 1.3219 1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)* 0.9351 5.2675 0.5533 0.7240 0.3668 1.7542 1.6954 1.0500 1.3843 0.9500 0.5597 1.2789 0.4640 2.0343 3.2684 0.7665 4.1015 4.1921 0.5645 0.8100 0.4002 1.6340 0.9211 1.6603 0.6662 0.4042 1.7663 2.7704 0.6657 3.8523 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 1.7676 2.7781 1.1256 0.9857 0.8581 0.9200 1.1803 1.7068 1.6380 0.8937 0.7329 1.5409 0.9284 0.9815 1.5725 0.9187 1.4789 2.4977 1.1383 0.9348 0.9256 0.8972 0.8144 1.0143 0.8008 0.8910 1.0778 1.3497 0.7711 1.4412 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 1.6271 2.7294 1.3886 0.6562 0.3945 0.8822 0.9888 1.6945 4.9818 0.5660 0.4652 4.1281 0.5682 1.5982 1.0616 1.2335 3.8743 2.8001 1.1831 0.7583 0.4820 0.8399 0.6939 0.9608 0.4677 0.6429 1.5934 0.8007 1.0112 3.9095 1-palmitoyl-2-oleoyl-GPA (16:0/18:1) 1.5814 2.2418 4.2946 0.5204 2.2024 0.3389 0.4728 1.6531 0.2442 2.6906 0.8473 0.6720 2.4246 0.4489 1.0165 0.9835 0.7257 2.1654 3.0121 0.6449 2.2082 0.3383 2.1699 0.8415 0.6099 2.6858 0.2634 1.2829 1.6165 0.6124 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 1.8240 1.7838 1.1946 1.0136 0.9214 0.9609 0.9875 1.6317 1.7026 0.9566 0.8704 1.5301 0.8066 0.7903 1.6057 0.9144 1.0558 1.4892 1.1900 0.9547 1.1080 0.9181 1.0125 0.9174 0.9864 0.7977 0.8778 1.2903 0.7774 1.0803 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 1.7281 1.7685 1.2184 0.6622 0.4988 0.8005 0.8666 1.7418 3.1876 0.8573 0.6199 3.0061 0.6098 0.9839 1.1772 1.5296 2.0886 1.6809 1.2214 0.6937 0.5351 0.7527 0.8415 0.8649 0.5406 0.5396 1.0227 1.0161 1.3512 1.9867 1-palmitoyl-2-oleoyl-GPG (16:0/18:1) 1.2066 0.4126 1.0199 0.9039 0.4507 1.1000 0.5452 1.2035 5.2422 0.8470 0.8178 4.0763 0.8997 1.3558 2.3953 2.1053 3.0695 0.3558 0.9801 0.8940 0.4798 1.0732 0.8075 0.5782 0.8508 0.7477 1.3201 2.0919 1.8529 2.8425 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* 2.1335 0.7674 0.8803 0.5107 0.5809 1.0060 0.4596 2.2297 2.4849 0.4182 0.5351 2.1372 1.0692 1.5130 1.4641 2.7814 1.4080 0.4474 0.8877 0.4619 0.6877 0.9940 0.4488 0.5740 0.6408 1.3850 1.6959 1.3747 2.5389 1.3894 1-palmitoyl-2-oleoyl-GPS (16:0/18:1) 1.4014 2.4606 1.0139 0.6315 0.3870 0.9974 0.5982 1.4989 1.7782 0.8605 0.5566 1.5249 0.7784 1.4281 0.6628 1.4504 1.7668 2.4683 1.0810 0.7330 0.3913 1.0026 0.7444 0.7463 0.4228 0.7200 1.3294 0.5288 1.2705 2.0056 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 1.9287 1.7163 1.7098 0.6183 0.5203 0.6739 0.5135 1.8762 2.1964 0.9304 0.3861 2.2742 0.7106 1.3589 1.3700 0.9720 1.9443 1.6955 1.4138 0.6966 0.4992 0.4835 0.7575 0.7424 0.3139 1.0280 1.2244 1.2529 0.8873 1.9239 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 2.7551 1.6637 1.1852 2.0868 2.3746 0.8414 1.3177 2.4835 0.9554 1.0446 1.4238 0.8351 0.9223 0.7261 0.6210 0.3647 0.5503 1.5620 1.2354 1.9373 3.1111 0.8154 1.1500 0.7180 1.3591 0.7476 0.8802 0.5402 0.3654 0.5708 1-palmitoylglycerol (16:0) 1.0460 0.5724 0.2439 2.1974 1.0630 0.9052 1.0068 0.9712 2.5208 0.3992 1.5319 2.2601 0.1955 2.6924 0.6100 0.2924 1.3163 0.4005 0.2179 2.3198 0.9932 1.0684 0.3639 1.1998 1.9161 0.2986 3.5130 0.3927 0.2155 1.4529 1-palmitoyl-GPA (16:0) 0.7051 0.7051 0.7051 0.7051 0.7051 0.7051 0.7051 0.7051 0.7051 0.7051 0.7051 0.7051 12.2481 1.0000 0.7051 0.8211 0.7051 0.7051 0.7051 0.7051 0.7051 0.7051 0.7051 0.7051 0.7051 11.3789 1.1784 0.7051 0.8413 0.7051 1-palmitoyl-GPC (16:0) 1.0772 0.9897 0.4523 0.6260 0.3088 0.6047 0.3442 1.2556 2.9766 0.2463 1.0555 2.9108 2.8372 0.7064 2.3412 1.2309 1.3623 0.8015 0.4915 0.6009 0.2717 0.4720 0.2550 0.3556 1.4098 3.0281 1.0103 2.3572 1.0270 1.7661 1-palmitoyl-GPE (16:0) 1.8645 0.9285 0.6994 0.5223 0.1589 0.7543 0.4336 2.0159 6.4766 0.2645 0.8774 6.1709 2.4925 1.2298 1.6190 1.9888 2.8767 0.7396 0.7818 0.4267 0.1328 0.6385 0.2580 0.3662 1.0715 2.7256 1.4534 1.9182 1.8026 3.3606 1-palmitoyl-GPG (16:0)* 1.2352 0.8563 0.8786 0.4050 0.3475 0.3168 0.2303 0.9654 5.3059 0.2639 0.4088 3.8750 3.0656 1.2815 4.6566 1.3432 2.8031 1.0976 1.1537 0.3806 0.2223 0.3415 0.3008 0.6638 0.7531 3.6705 1.0346 3.1376 1.0655 2.6052 1-palmitoyl-GPI (16:0) 2.6311 2.1584 0.0987 0.5486 0.3514 1.0804 0.5099 2.0442 8.0049 0.0987 0.7073 8.7920 0.4812 0.9057 4.0326 1.2630 4.4910 2.4088 0.0987 0.8572 0.1078 0.5432 0.1387 0.3726 1.4090 0.9196 0.7307 2.0540 1.2303 5.2043 1-palmitoyl-GPS (16:0)* 0.3506 0.6853 0.3506 0.3506 0.3506 0.9768 0.3506 0.3506 1.4465 0.3506 0.3506 1.2777 0.7267 3.1410 0.3506 0.3506 0.5941 0.3506 0.3506 0.3506 0.3506 0.8629 0.3506 0.3506 0.3506 1.0232 1.9851 0.3506 0.3506 1.2268 1-pentadecanoylglycerol (15:0) 0.5407 0.2361 0.2361 1.4141 0.4966 0.2361 0.6290 0.2361 1.7450 0.2361 1.1753 1.6352 0.2361 1.1573 0.2361 0.2361 0.9689 0.2361 0.2361 1.6365 0.5491 0.3556 0.3048 0.8175 1.2255 0.2361 1.3138 0.2361 0.2361 1.0311 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 1.6084 0.8955 1.0192 0.9911 2.1521 0.7701 1.7195 1.7499 0.8253 0.8355 1.4301 0.7269 1.1213 0.5381 1.8019 0.6734 0.6087 0.8677 1.0089 1.0111 2.3505 0.7592 0.7965 1.0961 1.3311 1.1271 0.5578 1.5113 0.5839 0.5267 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 1.7119 1.3043 0.9869 0.6710 1.1855 1.0172 1.3507 1.8026 1.4517 0.9534 0.8455 1.4000 0.8105 0.7269 1.4553 0.8731 1.0927 1.2592 0.9737 0.7070 1.4069 0.9406 0.9214 1.0131 0.9423 0.7827 0.8445 1.2413 0.8039 1.1000 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 1.2176 1.7547 1.0262 1.0360 1.1452 0.5235 1.2063 1.1605 1.2038 0.8067 1.1307 1.0614 0.8513 0.6614 1.7764 0.2550 0.5624 1.3782 1.0292 0.9580 1.3172 0.6557 0.8673 0.9485 0.9738 0.6931 0.7548 1.5525 0.2103 0.5664 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 0.8813 0.2697 0.5108 1.5037 0.6476 1.2973 0.9083 1.0123 1.0457 0.9877 1.1963 0.8835 1.2623 1.5933 1.1671 1.0843 0.3633 0.8626 0.5393 1.5571 0.6765 1.2192 0.9054 0.8877 1.0961 1.5471 1.3037 0.9119 1.0139 0.2165 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 2.4534 3.3097 1.7663 0.9494 1.4777 0.7170 1.3196 1.8616 0.8264 0.9497 0.8238 0.6895 1.2018 0.6029 1.8598 0.4662 0.6988 2.5768 2.0074 0.7703 1.6019 0.7660 1.0503 0.7850 0.7564 1.2915 0.8149 1.5796 0.4533 1.0557 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* 2.1728 2.9917 1.1318 0.6690 0.7693 0.6771 1.0126 1.9087 2.5589 0.5559 0.5892 2.5157 0.7879 0.3043 1.5056 0.9058 1.4699 1.3224 2.1989 0.4318 1.1884 0.6064 0.9874 0.5125 0.5737 0.8347 0.6767 1.1655 1.1861 1.6010 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 2.0082 1.8379 1.7322 0.9492 1.3220 0.5903 1.0899 1.8220 1.2144 0.8161 0.8084 1.0904 1.0464 0.3876 1.8151 0.5396 0.5887 1.4884 1.7503 0.8720 1.6150 0.5753 0.8862 0.8788 0.9536 1.0846 0.4488 1.5332 0.4698 0.6014 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 1.6358 1.9546 1.3554 1.0190 0.8357 0.6527 1.1082 1.5259 1.3345 0.9752 0.9341 1.2307 0.8650 0.2995 1.3484 0.7822 0.9032 1.7328 1.4612 0.8786 1.0272 0.6198 1.0518 1.0575 0.9054 0.7530 0.3911 1.2082 0.7356 0.9810 1-stearoyl-2-oleoyl-GPG (18:0/18:1) 0.8709 0.5579 1.0588 0.6310 0.7250 0.4000 1.4318 0.6464 1.8206 1.2029 1.0330 1.4426 0.5533 0.4282 1.5695 1.2389 0.9942 0.4350 1.0090 0.5570 0.9161 0.3886 1.2060 1.3017 1.0058 0.5072 0.4527 1.4501 1.0664 1.0827 1-stearoyl-2-oleoyl-GPI (18:0/18:1)* 3.4621 0.8809 2.7081 0.6681 1.3324 0.6552 0.6635 3.3565 1.5649 0.4050 0.5794 1.3171 2.7739 0.8950 1.7719 1.2270 0.6287 0.7541 2.6963 0.6899 1.5820 0.5965 0.4267 0.6276 0.6348 2.5011 1.1050 1.9140 1.1974 0.6593 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 1.7476 2.7476 1.2349 1.0019 1.4477 0.5964 0.9116 1.7857 0.9056 1.3319 0.7922 0.8656 0.7495 0.5081 1.6373 0.8004 1.0230 2.6588 1.3137 1.0448 1.5766 0.5827 1.3008 0.9981 0.6981 0.6082 0.5270 1.3990 0.6986 0.8741 1-stearoyl-GPA (18:0) 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 1.1593 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 0.8407 1-stearoyl-GPC (18:0) 1.6344 1.2690 1.1510 1.0062 0.8346 0.3794 0.5765 1.8132 1.0398 0.4598 1.5553 0.9938 5.6067 0.4818 3.7762 0.8117 0.7548 1.1217 1.3216 1.1435 0.6505 0.3004 0.3909 0.6614 1.5840 5.9146 0.5172 3.7395 0.5568 0.8312 1-stearoyl-GPE (18:0) 2.4120 1.3422 1.0511 0.5109 0.3546 0.6438 0.5097 2.4637 2.2897 0.3531 0.9489 2.4225 2.8779 0.5266 2.0937 0.7448 1.3276 1.1075 1.2034 0.4506 0.3086 0.5206 0.3333 0.4600 1.1584 3.0062 0.6185 2.5020 0.7093 1.6087 1-stearoyl-GPG (18:0) 1.2188 0.6269 1.8173 0.2479 0.5017 0.2479 0.4807 0.2479 4.4623 0.2479 0.8424 3.1676 2.7970 0.2479 5.0137 0.6927 1.1576 0.2479 1.9303 0.3035 0.6053 0.2479 0.4215 0.4052 1.5300 3.1282 0.2782 3.3821 0.7151 1.5918 1-stearoyl-GPI (18:0) 3.4744 5.0951 0.3892 1.7879 0.7360 1.0050 0.8121 2.5851 4.6970 0.1361 0.7120 5.3195 0.8545 0.6766 3.6258 0.2362 2.1601 4.6707 0.5330 2.2984 0.3719 0.5431 0.2461 0.4578 1.7205 1.1549 0.9950 1.7972 0.2487 3.6309 1-stearoyl-GPS (18:0)* 1.7070 3.0772 0.6128 0.7591 0.5638 1.0417 0.4452 1.0705 1.6250 0.4843 1.2017 1.4548 1.8006 3.1386 6.9094 0.6643 0.8229 3.4976 0.7776 0.9401 0.5369 0.8996 0.4303 0.7593 1.1753 2.6566 2.2873 2.8135 0.5203 0.9583 2-aminoadipate 1.7011 2.4550 2.0515 1.0063 0.4328 6.4069 1.6205 1.6771 0.9937 1.1967 0.9280 0.9137 4.0172 0.8991 0.9631 0.5272 0.5147 2.3724 1.8576 1.0896 0.3997 6.3314 0.9010 1.5190 0.7328 4.4995 0.4993 0.8181 0.6194 0.3803 2-aminobutyrate 0.5628 4.8106 1.0819 0.8779 0.5628 0.9691 1.1060 0.7866 0.9222 1.3384 0.8864 0.6076 1.5305 1.0791 2.3363 0.9580 0.8495 3.5605 1.1222 1.1400 0.5628 1.0037 1.1175 0.6423 0.8648 1.2240 0.9963 1.8329 0.7004 0.7238 2-aminophenol sulfate 0.7618 3.1848 0.0651 0.1935 1.7834 1.1354 1.0031 0.6809 1.4111 0.2194 0.0651 1.0173 0.0651 0.0651 2.0416 0.9969 0.5614 2.6192 0.0651 0.2043 1.7880 1.2377 0.2356 1.3019 0.0651 0.0651 0.0701 1.4851 0.7942 0.4630 2-arachidonoylglycerol (20:4) 0.1528 0.1528 0.1528 1.0465 0.8340 0.4001 0.8514 0.1528 2.8492 0.1528 16.2540 0.9379 0.1528 5.0135 1.0000 0.1528 4.2096 0.1528 0.1528 0.6694 1.0481 0.3026 0.1732 0.4322 10.8238 0.1528 6.0431 0.1528 0.1528 5.5930 2^-deoxyadenosine 5^-diphosphate 0.2513 0.2513 0.8930 0.3941 1.3330 0.2513 0.2513 0.2513 0.5264 1.8515 1.7759 0.2513 1.7874 1.1070 0.7191 1.9245 0.7918 0.2513 0.2513 0.3078 1.1809 0.3882 1.6444 0.5318 1.2223 1.9392 0.5412 0.7267 1.2683 0.2513 2^-deoxyadenosine 5^-monophosphate 0.6013 0.6413 0.3018 0.6922 0.5325 0.3590 1.6348 0.6435 1.3026 1.0724 1.2444 0.7837 1.6700 1.9503 2.0579 1.1712 2.4079 0.6124 0.1473 0.7275 0.7445 0.6087 1.5363 0.3892 0.9276 2.6349 1.6605 2.0262 1.1473 1.5030 2^-deoxycytidine 1.3169 0.0105 0.0105 0.0699 0.0105 0.0105 0.0144 1.2596 1.2814 0.0105 0.5787 1.0000 0.0153 3.3922 1.1108 0.0105 1.1153 0.0105 0.0105 0.0658 0.0105 0.0105 0.0105 0.0105 1.0094 0.1326 3.5058 0.7967 0.0170 1.1752 2^-deoxycytidine 5^-monophosphate 0.3383 0.1992 0.1992 0.6199 0.1992 0.1992 0.6745 0.6520 1.0750 0.2092 1.0273 0.9727 0.1992 4.0719 1.5894 1.2731 1.1271 0.1992 0.1992 0.6643 0.1992 0.1992 0.7093 0.1992 1.1463 0.1992 3.7110 1.1027 1.5673 0.6426 2^-deoxyguanosine 1.2650 0.7012 0.2666 0.8147 1.0318 1.3333 3.6095 0.8517 1.2608 0.4342 2.6945 1.5758 0.2809 1.0620 1.9255 0.9805 1.0195 0.7607 0.1206 0.4854 0.7092 0.8342 0.5674 2.4467 2.5041 0.5505 1.0850 1.5301 1.2896 0.9694 2^-deoxyinosine 0.9737 1.0204 0.0633 0.4838 1.0598 3.9602 1.9710 0.7700 1.0000 0.4538 2.1363 0.9856 0.3408 2.4416 1.7182 0.7663 1.5083 0.9607 0.0633 0.3967 0.8016 2.8649 0.7235 1.0623 2.3608 0.6747 2.8613 0.9553 1.2325 1.6492 2^-deoxyuridine 0.3193 2.7962 0.0899 0.0899 0.7071 1.6481 1.0119 0.1254 0.1700 0.0899 0.5007 0.3539 0.2214 3.7602 3.8546 0.4431 1.0174 1.2443 0.0899 0.0899 0.3417 1.2077 0.2391 1.1434 0.9881 0.5995 5.6754 2.6503 1.3344 1.2485 2-hydroxy-3-methylvalerate 0.2583 0.2583 1.9092 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 0.2583 1.0000 0.2583 0.2583 0.2583 0.2583 2.0741 0.2583 0.2583 0.2583 0.5611 0.2583 0.2583 0.2583 1.5117 0.2583 0.2583 0.2784 2-hydroxyadipate 1.2040 0.6765 1.5324 0.3013 0.1884 1.4272 1.1376 1.1519 1.8594 0.3414 0.2204 1.3250 1.3362 1.3661 1.3154 0.1884 1.0000 0.4381 1.4848 0.3425 0.1884 1.4482 0.1884 0.6524 0.2632 1.5029 0.8553 0.8661 0.2069 0.8650 2-hydroxybutyrate/2-hydroxyisobutyrate 0.4611 2.6877 0.6131 0.4611 0.9327 0.8114 1.1637 0.4611 1.5688 1.4218 1.0592 1.5209 0.4611 1.3690 0.4611 0.7662 1.1700 1.3360 0.6366 0.4611 0.7501 0.7061 0.8702 0.4611 0.8586 0.9408 1.4416 1.8034 0.7445 1.2200 2-hydroxydecanoate 0.5249 0.5249 0.5249 0.5249 1.5481 0.9085 1.0610 1.6178 0.5249 0.5249 0.5249 1.3133 0.5249 0.5249 1.8805 0.6692 0.5249 2.9609 1.1997 0.9113 0.5249 1.0000 1.3141 0.5249 0.5707 0.5249 0.6487 0.5249 0.7068 0.8605 2-hydroxyglutarate 4.2156 3.2420 0.8135 0.3397 0.9834 1.1172 0.3406 4.1036 3.3494 0.3699 0.2744 2.8417 1.7428 1.0475 1.0578 2.9690 0.9908 2.5188 0.7390 0.4950 1.1654 1.0092 0.2866 0.3013 0.2086 1.5477 0.9166 0.8413 2.5932 0.9159 2-hydroxypalmitate 1.9655 4.2447 0.6299 0.9771 1.0774 3.4669 0.8875 1.9641 1.4095 0.7222 1.1965 1.1035 0.9190 1.2030 1.5426 0.6750 0.9774 4.1189 0.7109 1.0819 0.6332 3.1595 0.6575 1.0226 1.6945 0.7686 0.9578 0.8042 0.6806 0.8417 2-hydroxystearate 1.8951 7.2081 0.6864 0.9213 2.6065 1.8586 1.0350 1.7443 1.1974 0.7580 0.9314 0.8381 1.4017 1.1058 2.2568 0.3914 0.6655 5.2413 0.7763 0.9452 1.6340 1.5688 0.5492 1.0000 0.9124 0.3914 0.4050 1.5481 0.4442 0.4759 2-linoleoylglycerol (18:2) 0.2710 0.1159 0.1159 1.2175 0.8976 0.1159 0.6201 0.1159 3.4463 0.1159 6.5077 1.7967 0.1159 4.2474 0.1496 0.1988 5.3429 0.1159 0.1159 1.1024 0.6389 0.2386 0.1159 0.4509 4.7454 0.1159 5.7880 0.1159 0.2470 6.7625 2-methylbutyrylcarnitine (C5) 7.1986 0.0131 0.6073 3.6631 1.0153 3.2686 0.0874 8.8286 1.5645 0.0841 2.8425 0.9847 0.0135 0.4091 7.2321 0.1197 3.3122 0.0131 0.6387 4.4167 0.9030 3.6378 0.0678 0.1309 3.6292 0.0131 0.3993 5.5280 0.1071 2.6754 2-methylbutyrylglycine 0.3115 2.2388 1.7548 0.7376 0.9845 0.6535 1.5792 1.6246 1.3580 0.3115 0.8790 1.2560 1.0223 0.7842 0.6389 0.7496 1.1232 1.7798 1.5674 1.0155 0.3115 0.4939 0.3115 1.3536 0.5802 0.4304 0.7894 0.9116 0.3115 1.0812 2-methylcitrate/homocitrate 1.5815 1.7478 1.3301 0.4363 0.3792 0.5759 0.7040 1.1299 1.9924 0.4710 0.3713 1.6667 1.0525 1.3475 2.3114 0.6435 1.1340 1.4526 1.3681 0.4616 0.3261 0.4358 0.6374 0.6818 0.6125 2.0079 1.7449 1.9546 0.7052 0.9475 2-myristoylglycerol (14:0) 0.6622 0.1645 0.1645 1.5883 1.3175 0.8381 0.5066 0.9831 4.3326 0.5434 6.1990 3.3539 0.1645 11.9765 0.4426 0.3719 12.0373 0.1645 0.4510 2.2423 1.2779 1.0169 0.1645 0.6219 6.6780 0.1703 15.5592 0.8422 0.3428 15.9799 2-oleoylglycerol (18:1) 0.9625 0.4495 0.0970 1.6059 1.3954 0.6901 0.7429 1.0098 4.1001 0.3392 6.4875 2.7192 0.0721 4.6249 0.4600 0.2666 4.4607 0.2790 0.1815 2.9837 1.5341 0.9902 0.3499 1.2376 6.3387 0.0721 6.4180 0.0721 0.3740 6.1511 2^-O-methylcytidine 0.7420 1.2965 2.5212 1.6969 0.9320 0.8710 1.1670 0.7300 1.0719 0.9930 0.8864 0.8564 0.8212 1.9480 0.6435 0.3785 1.3674 0.8081 1.8399 1.2765 0.4887 0.6526 1.4357 1.2054 1.5012 1.0070 2.3579 0.7657 0.4891 2.0686 2-oxoarginine* 2.0783 0.5387 0.5387 0.5387 0.5387 0.5387 0.5387 2.0500 0.8459 0.5387 0.5387 0.6354 0.5387 0.5387 21.5643 1.0000 0.5387 0.5387 0.5387 0.5387 0.5387 0.5387 0.5387 0.5387 0.5387 0.5387 0.5387 17.9755 0.8091 0.5387 2-palmitoleoylglycerol (16:1)* 0.9825 0.5925 0.3551 0.4315 0.4781 1.5328 0.5558 1.0175 6.5418 0.1623 7.2020 3.6394 0.1623 29.7419 1.0485 0.5746 22.8889 0.7406 0.1623 1.3119 0.5036 1.7040 0.5158 0.7684 4.0960 0.1623 36.4286 0.1623 0.6030 32.9869 2-palmitoleoyl-GPC (16:1)* 1.1700 3.9476 0.9569 0.7911 0.8746 1.1102 0.5638 1.5441 2.7990 0.5640 0.3528 2.2924 0.6507 5.9016 3.1971 0.8626 4.0460 4.5170 1.1514 0.9970 0.9451 1.0030 0.5487 0.8840 0.4750 0.7052 6.0490 2.7870 0.6557 3.9382 2-palmitoylglycerol (16:0) 0.6767 0.2357 0.1361 3.5714 1.5126 1.0922 0.8645 0.8399 2.7939 0.4775 4.2949 1.2903 0.1361 3.0716 0.3698 0.4196 1.8312 0.2757 0.1764 4.1276 0.9078 1.7745 0.3440 1.3455 4.4849 0.2546 3.9842 0.1361 0.2987 2.7235 2-palmitoyl-GPC (16:0)* 1.0147 1.5810 0.3345 1.4856 1.5430 1.0738 0.8534 1.3424 1.4057 0.6637 0.6156 0.9853 0.5616 1.1723 1.4998 0.4744 1.2096 1.4809 0.5858 1.4525 1.4178 0.9240 0.4815 0.9323 0.8276 0.6372 0.9268 1.0717 0.4114 1.3127 2-phosphoglycerate 0.7876 0.6862 6.5735 0.4561 2.8975 3.5304 0.1451 1.0112 0.6908 1.7294 1.6340 0.5530 1.6827 0.8420 2.6782 3.0197 0.1576 0.6386 4.1879 0.6325 1.7614 2.8034 0.5177 1.4711 0.9888 1.1024 0.5377 0.5757 1.5311 0.1027 2-stearoyl-GPE (18:0)* 1.3894 2.6559 2.8306 0.7220 0.6836 0.7882 0.1406 4.1219 4.9189 0.5986 0.6042 3.3582 4.1320 0.7504 4.8778 0.5717 1.8105 1.6506 1.8091 0.9374 0.2149 0.5453 0.4459 0.8670 1.0626 6.9011 0.2775 5.8915 0.6694 2.8465 3-(4-hydroxyphenyl)lactate 1.0165 3.1660 4.3295 0.2323 1.4580 0.9783 0.5627 0.9835 0.5549 1.0880 0.8315 0.3953 2.9971 3.4046 0.5139 0.7830 9.8466 2.4845 4.3359 0.2568 1.3802 0.9776 1.0970 0.4156 0.9512 3.3552 3.8021 0.6007 0.6643 9.1817 3-aminoisobutyrate 1.0116 0.6533 0.8072 1.3945 12.5287 0.9007 0.1858 0.9884 0.1858 0.1858 0.1858 0.1858 0.3450 1.2230 1.9880 0.1858 1.4505 0.1858 0.9248 1.6231 15.0391 0.8475 0.1858 0.1877 0.3252 0.3379 1.1080 1.5563 0.1858 1.2599 3’-dephospho-acetyl-coenzyme A 0.4654 0.4654 0.4654 0.4654 0.4654 0.4654 0.4654 0.4654 0.4654 0.4654 0.4654 0.4654 0.4654 0.4654 0.4654 0.4654 1.8363 0.4654 0.4654 0.4654 0.4654 0.4654 0.4654 0.4654 1.0000 0.4654 0.5536 0.4654 0.4654 1.5772 3^-dephosphocoenzyme A 0.3611 2.1338 0.1037 0.2848 0.1037 3.4098 0.3374 0.5399 3.6114 0.1037 0.8108 3.7009 0.9332 1.8840 1.0625 0.9375 4.4688 1.5837 0.1037 0.2991 0.1569 1.5311 0.1292 0.1037 2.5752 2.2952 3.4905 0.2173 0.8930 4.8975 3-hydroxy-2-ethylpropionate 0.0624 0.0624 2.7593 0.6353 0.0624 0.0624 1.0000 0.0624 1.0081 0.0624 1.0594 0.9889 0.0624 1.6992 1.1266 0.7424 0.0624 0.0624 1.1737 0.0624 0.0624 0.0624 0.0624 0.0624 0.9617 0.7880 1.2353 2.0716 0.5924 0.5327 3-hydroxy-3-methylglutarate 0.4254 0.5578 0.1742 0.3192 0.0774 2.2762 1.9987 0.3990 1.3012 0.8214 1.3161 0.9753 1.2410 1.9368 1.0977 1.2295 2.8416 0.4143 0.1648 0.3564 0.0847 2.0246 0.7012 1.6215 0.8964 1.6363 1.8068 0.9683 1.0247 2.4783 3-hydroxybutyrate (BHBA) 0.4775 0.4775 1.8158 0.4775 0.4775 0.4775 1.3210 0.4775 0.4775 0.4775 0.4775 0.4775 0.4775 2.9590 0.4775 0.4775 0.4775 1.1922 0.5641 0.4775 0.4775 0.4775 0.6014 1.0000 0.6682 0.4775 2.8183 0.4775 0.4775 0.6090 3-hydroxybutyrylcarnitine (1) 0.8886 1.1344 0.6852 1.9098 3.4308 0.8803 2.4400 0.8129 2.4392 0.5701 2.7690 1.7974 0.0268 1.2658 2.8276 0.5611 0.5503 0.8920 0.6173 2.0421 3.5864 0.8464 0.5532 3.5657 2.8693 0.0700 1.1080 2.6486 0.4892 0.4325 3-hydroxybutyrylcarnitine (2) 0.9222 1.7168 0.5129 1.3854 1.8118 1.2999 4.2429 0.9643 1.3569 0.6573 3.9179 0.9131 0.1477 0.9259 1.4885 0.3513 0.5752 1.2005 0.5214 1.7303 1.9818 1.3619 0.5667 5.9571 3.7316 0.1410 0.8850 1.0357 0.2965 0.5399 3-hydroxydecanoate 2.2059 0.7881 0.8413 0.9024 1.5899 0.1660 3.4703 1.2531 0.4097 5.1666 1.8274 1.0005 1.0000 1.0149 1.2623 0.7504 0.7423 0.8066 0.7342 0.9129 1.0905 0.1660 6.8501 2.5262 2.0398 0.9123 1.0843 0.6236 0.9786 0.8878 3-hydroxyhexanoate 0.2197 0.2197 0.2197 0.2197 0.2197 0.2197 1.3631 0.2197 0.2197 2.4443 0.6282 0.2197 0.2197 0.2197 0.2197 0.2197 1.5504 0.2197 0.2197 0.2197 0.2197 0.2197 2.0902 1.2404 0.5317 0.2197 0.7504 0.2197 0.4613 1.0000 3-hydroxyhippurate 0.1947 0.1947 0.1947 0.7015 0.1947 0.9986 0.1947 0.1947 0.1947 0.1947 0.1947 0.1947 0.1947 1.5291 0.1947 0.1947 1.2107 0.1947 0.1947 0.5799 0.1947 1.1276 0.1947 0.1947 0.1947 0.1947 1.5481 0.1947 0.2863 1.0014 3-hydroxyisobutyrate 0.2041 1.0820 2.0392 0.2041 0.2041 0.2041 0.4142 0.2041 0.2041 0.2041 1.1045 0.2041 0.2041 2.6534 0.6187 0.2041 0.5262 1.2382 1.0000 0.3062 0.2041 0.2041 0.5564 0.2041 1.9520 0.2041 1.8094 0.6843 0.2041 0.2041 3-hydroxykynurenine 0.1037 0.1037 0.1037 0.1037 0.1037 0.1037 0.1037 0.1037 0.1037 1.0000 0.1037 0.1037 0.1037 0.1037 2.1345 0.1037 0.1037 0.1037 0.1037 0.1037 0.1037 0.1037 0.6694 0.1037 0.1037 0.1037 0.1037 2.0231 0.1037 0.1037 3-hydroxylaurate 3.1391 0.8500 0.6735 0.8773 2.1768 0.1200 3.5777 1.8703 0.5723 4.1565 1.7984 0.9818 0.5242 1.0182 1.6670 0.4795 1.0941 0.4971 0.4806 0.7110 1.3011 0.0959 5.2178 3.3123 2.2232 0.4571 1.2256 0.8374 0.7714 1.0264 3-hydroxyoctanoate 0.3976 0.3976 0.3976 1.2648 0.3976 0.3976 3.1894 0.3976 0.3976 7.0401 1.4645 0.3976 0.5020 0.4035 0.3976 0.3976 0.3976 0.3976 0.8554 0.7030 0.3976 0.3976 7.5754 2.1370 1.9881 0.3976 0.8426 0.3976 0.6457 1.0000 3-hydroxypalmitate 3.6418 1.4834 0.8286 1.2778 0.8615 0.6208 2.5945 1.0543 2.0640 0.7312 0.5646 1.5098 0.4704 1.5784 0.9181 0.5718 1.7230 1.0787 0.6656 0.9457 0.7481 0.6996 1.4459 1.5907 1.2292 0.7194 3.1172 0.6485 0.6467 2.1390 3-ketosphinganine 1.4422 0.4915 1.0499 0.5327 0.4563 0.1127 0.4645 1.3389 0.1127 1.0323 1.0000 0.3377 1.3538 1.1655 2.6236 2.6140 2.6020 0.4720 1.0131 0.5146 0.4680 0.4746 0.8954 0.4189 1.1527 0.4660 0.8699 2.9668 2.7632 2.4044 3-methoxytyrosine 0.3906 0.3906 0.3906 0.6583 0.3906 1.2986 0.5616 0.3906 0.3906 1.1336 0.9805 0.3906 2.2778 0.3906 0.3906 0.7355 1.4061 0.3906 0.3906 0.3906 0.3906 1.3960 0.7412 0.3906 0.5801 1.5885 0.3906 1.0195 0.9792 1.2173 3-methyl-2-oxobutyrate 1.1359 0.3897 12.4222 0.3897 1.0418 0.7332 0.3897 0.9835 1.2051 1.1012 0.3897 0.8950 0.3897 1.1798 0.3897 1.0165 0.6444 0.3897 15.3624 0.3897 1.4605 0.9026 0.4906 0.6534 0.3897 0.5962 1.1985 1.4210 0.8785 0.5027 3-methyl-2-oxovalerate 0.4631 0.4631 9.6105 0.4631 0.4631 0.4631 0.4631 0.4631 1.0000 0.4631 0.4631 0.7794 0.4631 0.8135 0.4631 1.0438 0.4631 0.4631 10.3558 0.4631 1.2806 0.9531 0.4631 0.4631 0.4631 0.4631 1.0007 0.4631 0.9640 0.4631 3-methylcytidine 0.9107 4.0026 1.1351 0.4201 6.2030 1.6220 0.7187 0.4201 0.4201 0.4201 1.0114 0.4201 0.6119 4.6550 0.4201 0.4201 0.4201 3.5990 0.9635 0.4201 2.4381 0.9886 0.4995 3.6064 0.9586 0.4375 5.0028 0.4201 0.4201 0.5762 3-methylglutaconate 1.1869 0.5477 4.3307 0.8268 0.8069 0.5477 1.6222 0.5477 0.9993 0.5477 0.6730 0.6791 1.0007 1.0059 0.5477 0.6805 1.8538 0.5477 3.6485 1.0421 0.8952 0.5477 0.5477 2.2066 0.5770 1.0241 0.7261 0.6182 0.5477 1.8134 3-methylhistidine 1.0278 0.5037 1.0010 0.8460 1.8626 2.0196 0.7673 0.8702 0.8338 0.8961 0.9596 0.4762 2.3081 0.9990 1.8237 0.8552 3.0617 0.2891 1.3311 0.8386 2.3176 2.1723 1.1462 0.3590 1.1579 2.2986 0.8049 1.3856 0.7236 2.5359 3-phosphoglycerate 1.3150 1.3774 3.7580 0.3440 5.2996 2.8166 0.1776 1.0138 0.5382 0.8831 1.0232 0.4949 1.1953 0.4519 2.9368 1.9490 0.1552 0.9811 2.5908 0.3994 2.0911 2.5550 0.3622 1.3059 0.9003 0.9862 0.2068 0.6752 1.1582 0.1434 3-sialyllactose 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 1.0061 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 0.9939 3-sulfo-L-alanine 0.8453 1.8994 0.7619 0.6504 0.1134 2.2184 2.3979 0.6273 1.0275 1.3828 14.8884 0.7501 1.4483 2.2532 0.9725 0.3654 0.2764 1.1254 0.4672 0.7976 0.2759 2.0253 1.0359 3.0286 7.0317 1.7235 2.1266 0.8747 0.4246 0.5883 3-ureidopropionate 0.7213 22.9211 34.9886 0.8491 1.4453 0.4428 1.6258 0.7538 3.0875 0.5301 0.1367 2.1666 16.9167 0.5684 2.0843 0.1367 0.6116 20.9433 34.5360 0.8258 0.9432 0.1367 0.5666 4.4415 0.1367 13.9201 0.5966 1.0568 0.2138 0.1367 4-acetamidobenzoate 0.9634 0.0187 2.4180 1.0694 0.7447 0.0187 0.0402 1.0366 0.8813 0.0187 0.0187 0.5978 2.2479 0.0187 1.4489 1.2351 1.3934 0.0187 2.3710 0.8030 0.7528 0.0187 0.0187 0.0297 0.0187 0.0187 0.0187 1.1406 1.0876 0.9319 4-acetamidobutanoate 1.4797 1.6244 1.8308 0.9471 1.8184 0.7138 0.9138 1.5081 1.0358 0.6288 0.4946 0.7608 1.0770 1.1690 0.9320 0.9863 3.0147 1.2547 1.7598 1.0137 1.8763 0.6757 0.5955 0.8087 0.4232 0.9345 1.0585 0.7622 0.8963 2.5819 4-ethylphenylsulfate 1.9007 0.4914 0.4914 0.4914 0.4914 0.8179 0.4914 2.4670 0.4914 0.4914 0.4914 0.4914 0.4914 0.4914 0.4914 0.4914 1.0660 0.4914 0.4914 0.4914 0.4914 1.0000 0.4914 0.4914 0.4914 0.4914 0.4914 0.4914 0.4914 0.9625 4-guanidinobutanoate 3.0677 0.5747 3.7404 1.0826 9.9160 0.4249 0.9925 3.1865 1.0046 0.2186 0.4095 0.7104 0.2288 1.0867 3.0924 0.4955 1.7210 0.4640 3.7621 1.2220 10.7436 0.4111 0.2042 1.3372 0.3307 0.1868 0.9954 2.5860 0.4383 1.5146 4-hydroxyglutamate 9.2042 2.2493 0.5668 1.4304 0.2449 0.8887 0.5680 9.6937 0.6429 0.9436 3.1592 0.4486 3.3791 1.5099 0.2449 0.2449 0.2449 2.3435 0.3916 1.5787 0.2449 0.7649 0.7839 0.7271 2.6058 4.1772 1.0564 0.2449 0.2885 0.2449 4-hydroxy-nonenal-glutathione 1.7927 2.0099 0.6334 1.1278 1.3179 0.6771 0.9554 1.4976 1.8549 1.1109 0.7676 1.3031 1.1973 0.5935 2.0895 0.7931 1.0121 2.9158 0.9185 0.9162 1.1635 0.6064 0.9057 0.9879 0.5953 1.3587 0.4974 1.1202 0.5661 0.5039 4-hydroxyphenylpyruvate 0.1876 0.1876 0.1876 0.1876 0.1876 0.1876 0.1876 0.1876 1.0528 1.4689 0.7585 0.1876 0.1876 0.1876 0.1876 0.9590 1.6128 0.1876 1.2629 0.1876 0.1876 0.3439 1.3859 0.1876 1.0410 0.1876 0.6565 1.3454 0.7119 0.8396 4-imidazoleacetate 1.1689 0.6802 4.1885 0.6912 0.3536 0.4965 1.2612 1.3047 0.9207 0.8496 1.3561 0.6270 1.1095 1.5987 2.9112 1.0793 1.8040 0.5383 4.2202 0.8332 0.2231 0.5390 0.7947 0.8671 0.6303 1.1321 1.4951 2.2545 0.9092 1.5136 4-methyl-2-oxopentanoate 0.2337 0.2337 7.7791 0.2337 0.2337 0.2337 0.2337 0.9575 1.0593 0.7890 0.2337 0.4104 0.2337 1.0000 0.2337 0.6903 0.2337 0.2337 9.8352 0.2337 2.7510 0.4910 0.2337 0.2337 0.2337 0.2337 2.3513 0.2337 1.4577 0.2337 4-methylcatechol sulfate 0.4660 0.4660 0.9019 0.4660 0.4660 0.6137 2.1468 0.4660 0.4660 0.4660 0.9597 0.4660 1.5224 1.1273 0.4660 0.7909 0.4660 0.4660 1.1376 0.4660 0.4660 0.6495 0.5943 1.7969 1.0403 1.2344 1.1842 0.4660 0.7333 0.4660 "5_6-dihydrothymine" 0.2274 0.2274 7.7114 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 0.2957 0.2274 0.2274 0.2274 0.2274 7.3816 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 1.0000 0.2274 0.2274 0.2274 0.2274 5-aminovalerate 0.8293 0.2601 1.7345 0.2988 2.3113 2.0554 0.4985 0.9493 0.6176 2.0309 1.7933 0.2927 2.8441 2.3300 1.0507 0.3184 0.2074 0.1631 1.7934 0.3197 2.6366 1.9806 1.8970 0.5579 1.0660 3.0187 2.0391 0.8599 0.2891 0.1727 5-dodecenoate (12:1n7) 0.9994 1.1787 0.7849 1.7894 1.5800 0.4407 1.9784 0.7558 1.9724 1.0537 1.0006 1.4236 0.1341 5.3978 0.9189 0.6474 7.7092 0.6014 0.4574 1.2449 0.9932 0.3052 0.7445 3.6174 0.7267 0.2830 5.4777 1.1150 0.6422 7.8011 5-(galactosylhydroxy)-L-lysine 1.3262 1.1275 1.2608 1.5909 0.9515 2.6465 2.6563 1.5562 0.3920 0.3957 0.7032 0.1588 0.2242 1.0295 1.3637 0.2968 0.8045 0.7776 1.0205 1.5850 1.0625 2.8427 0.3971 2.6069 0.7055 0.3720 0.9795 1.3492 0.2177 0.6356 5-hydroxyindoleacetate 0.3173 1.5128 0.3173 0.6408 0.3173 1.8199 0.4069 0.4462 0.3173 0.3173 0.4234 0.3173 0.3173 4.1144 0.3173 0.8130 5.0064 1.1870 0.3173 0.6406 0.3173 1.6659 0.3173 0.5349 1.8170 0.3173 4.5464 0.3173 0.6048 3.6496 5-hydroxylysine 0.5852 0.5852 5.8212 0.5852 1.5950 0.5852 0.9709 0.5852 1.0000 0.5852 0.5852 0.5852 0.5852 1.8305 0.5852 0.5931 2.9046 0.5852 5.2403 0.5852 0.5852 0.5852 0.5852 0.8133 0.5852 0.5973 1.6787 0.9441 0.7233 1.8556 5-methylcytidine 0.8964 0.1961 0.1961 0.9964 1.4105 0.1961 0.1961 0.6462 1.7560 0.1961 2.1936 2.2212 0.5348 1.0036 0.1961 0.1961 1.1149 0.1961 0.1961 0.5098 0.5515 0.1961 0.1961 0.1961 2.6742 0.7447 1.5033 0.5214 0.1961 1.6096 5-methyltetrahydrofolate (5MeTHF) 1.1691 0.1530 0.9869 1.1095 0.1990 2.0417 0.1530 0.8900 1.8425 1.8204 0.6575 1.0554 0.3284 1.7977 0.5869 1.0131 1.3607 0.1530 0.7437 1.0135 0.1530 1.8109 1.6508 0.1530 0.7474 0.5176 2.0720 0.4026 0.8664 0.9214 5-methylthioadenosine (MTA) 0.4429 0.8797 0.8324 1.5296 1.6147 1.0001 0.5101 0.5302 0.9410 1.4675 1.0265 0.6616 1.0385 1.0915 1.2837 0.7194 1.6920 0.7416 0.6476 1.6989 1.7723 1.0691 1.3045 0.4872 0.8086 1.0686 0.9574 0.9999 0.5168 1.1004 5-methyluridine (ribothymidine) 3.7871 0.3597 1.9593 0.1011 0.5969 2.0790 0.3236 1.8598 0.9639 0.8820 1.5733 1.0361 0.4767 5.1706 0.1176 0.5164 1.4658 0.2218 1.2565 0.0805 0.4420 1.2746 1.3019 0.1281 1.8599 1.7625 4.7662 0.1584 0.6164 1.6131 5-oxoproline 0.9833 2.0451 1.9235 0.6030 0.7042 1.3797 0.9120 0.9060 0.8001 1.8894 1.1765 0.6802 2.2559 2.3380 1.1557 0.8470 0.7763 1.7279 2.0002 0.5987 0.6423 1.2360 1.9582 0.4971 1.0167 1.9667 2.4068 0.7887 0.7564 0.7343 5-phosphoribosyl diphosphate (PRPP) 3.1833 1.6866 28.1187 0.4856 3.7260 0.1126 0.1126 2.6733 1.1458 0.3491 0.1126 1.3398 1.0151 0.5073 1.2275 0.3338 1.0000 2.4495 25.9162 0.4288 3.4190 0.1126 0.4666 0.4004 0.2952 0.3195 0.4266 1.2733 0.1937 0.5317 6-oxopiperidine-2-carboxylate 1.6535 0.5142 0.4377 0.6629 1.0160 1.7268 1.0154 1.4543 0.1902 1.0716 0.4550 0.1923 1.4151 0.5250 0.9816 1.2284 1.3871 2.4106 0.9846 0.7486 0.7682 1.3114 1.0514 1.3133 0.4500 1.3989 0.3058 0.2675 0.8745 1.4397 6-phosphogluconate 0.5018 2.3144 7.3181 0.2036 1.6679 11.0807 0.3971 0.3274 0.6720 1.3254 0.7650 0.6145 1.0281 0.9719 0.7153 7.4655 0.4253 1.0888 7.3048 0.2161 0.8895 7.3025 1.1065 2.9740 1.9661 1.3869 0.8195 0.1944 4.0369 0.3171 7-dehydrocholesterol 0.4751 0.4751 0.4751 0.4751 0.4751 0.4751 2.8651 0.4751 0.4751 0.4751 4.1634 0.4751 10.9988 0.7986 0.4751 0.7177 0.4751 0.4751 0.4751 0.5390 0.4751 0.4751 0.5758 1.3547 3.2636 8.9692 0.8126 0.4751 1.0243 0.9757 7-hydroxycholesterol (alpha or beta) 0.4736 1.4213 0.4736 0.8216 1.0000 0.5086 2.3132 0.4736 0.4736 0.4736 0.9199 0.4736 2.0145 0.4736 1.2130 0.4736 0.4736 0.4736 0.4736 1.0150 0.7353 0.7047 0.6627 2.0676 0.4736 1.1164 0.4736 0.4736 0.4736 0.4736 7-methylguanine 1.1228 1.2558 1.9321 0.3920 1.0821 1.1078 1.0747 1.1109 0.4827 1.0369 0.5070 0.5526 2.3175 0.8496 0.2276 0.3906 1.0723 1.1482 1.6585 0.2876 0.4909 0.6652 1.5596 1.0053 0.3419 1.8465 0.9621 0.3486 0.4182 0.9947 acetylcarnitine (C2) 2.0258 0.8313 1.1104 0.9434 4.0396 1.8037 0.9331 1.9609 0.8541 0.2383 2.7143 0.5865 0.0908 3.4152 1.0566 0.9416 0.8400 0.6208 1.1985 1.5236 4.5542 1.8797 0.1862 1.7466 2.4953 0.0723 3.2859 0.5919 0.8183 0.7507 acetylcholine 1.0000 0.0184 0.0950 0.0184 0.0184 5.6904 0.3349 1.2041 5.5224 19.3054 3.9111 3.4493 0.0184 0.0519 0.0184 0.0184 0.0184 0.0184 0.0813 0.0184 0.0184 5.5105 13.0848 0.8225 0.9720 0.0184 0.0432 0.0184 0.0184 0.0184 acetyl CoA 1.7960 0.2240 0.9998 0.5586 0.9894 0.5467 0.9641 1.8071 0.2240 1.2398 2.5792 0.2240 0.8704 1.7848 0.3314 0.7359 2.1932 0.6856 1.0915 0.9277 1.0604 0.7130 1.2194 1.7395 1.5723 0.9020 1.5244 1.0002 0.5747 1.9973 acetylphosphate 1.4854 2.5189 3.7649 0.3310 0.8504 0.6155 0.5231 1.7115 1.1985 0.2476 1.7302 1.0942 0.2476 0.3702 2.3118 2.1104 0.6705 1.7608 2.4573 0.2476 0.8033 0.2476 0.2476 0.3149 2.6870 0.9058 0.2878 0.6356 1.9330 0.6109 aconitate [cis or trans] 1.4031 2.2422 1.7011 0.8260 0.4417 1.4371 1.2714 1.1301 1.1240 0.9189 0.7548 0.8969 0.6140 0.8743 1.0811 0.8062 1.7768 2.8118 2.1030 1.0862 0.4168 1.3717 0.6689 1.8854 0.8652 0.8143 0.6914 0.7389 0.6232 1.3908 Ac-Ser-Asp-Lys-Pro-OH 0.6460 1.1917 0.6460 0.6460 0.6460 0.6460 0.7385 0.6460 0.6460 0.6460 0.6460 0.6460 0.6460 0.6460 3.9578 0.6460 0.6460 0.6460 0.6460 0.6460 0.6460 0.6460 0.6460 0.8083 0.6460 0.6460 0.6460 5.8320 0.6460 0.6460 adenine 0.7524 1.4665 0.8957 0.5766 0.9811 0.5748 0.8997 0.8172 1.7241 1.2748 3.4667 1.3814 0.4798 1.2224 2.0710 0.5906 3.5191 1.4888 0.8333 0.6668 1.0189 0.6139 1.4170 0.7784 10.2255 0.6402 1.8258 1.1568 0.4832 5.3661 adenosine 0.6378 1.0416 0.2816 0.6808 0.7604 0.8348 0.9022 1.0524 1.3770 0.8111 8.4765 0.9342 0.5095 2.6891 2.5535 0.3564 1.9762 1.1148 0.1604 0.9584 1.3071 1.2868 1.2718 0.3569 16.5520 0.8074 2.5416 1.9105 0.3668 1.3602 adenosine 2^-monophosphate (2^-AMP) 1.2249 0.5328 0.1395 0.4056 0.1395 2.7637 0.1395 0.5286 1.0893 0.1958 1.7520 1.1539 0.1395 0.5443 1.2300 2.3557 0.6755 0.4713 0.1395 0.1395 0.1395 1.0161 0.3137 0.1659 3.4622 0.1395 0.9839 0.1395 6.1950 1.1430 "adenosine 3^_5^-cyclic monophosphate (cAMP)" 0.5626 1.0497 1.4386 0.8261 0.7294 0.9058 1.0851 0.5329 1.1303 2.0838 2.0210 0.7030 8.3598 1.3287 1.0546 0.9359 0.6760 0.8939 1.1605 0.8558 0.7677 0.9019 1.5333 1.2850 1.0025 6.1651 1.1775 0.9975 0.7403 0.4890 adenosine 3^-monophosphate (3^-AMP) 4.4635 1.3060 0.1953 0.2732 0.2085 0.8997 0.3091 1.5974 1.1105 0.3169 0.4939 1.6917 0.1953 1.5058 1.0000 5.4115 4.0441 0.6166 0.1953 0.1953 0.1953 0.3357 0.3662 0.2473 1.5143 0.1953 1.2592 0.3216 10.9261 4.9873 adenosine 5^-diphosphate (ADP) 2.2044 2.0468 1.8651 0.8413 0.3190 0.4766 0.8176 2.0978 1.0463 3.7070 1.7813 0.7678 2.0896 0.7196 1.1810 3.2869 0.5808 1.5282 1.2735 0.9537 0.5376 0.6088 2.6703 0.2103 0.8973 2.5374 0.4985 0.8480 2.7183 0.5816 adenosine 5^-diphosphoribose (ADP-ribose) 0.2290 0.8870 2.3259 0.8607 0.6400 1.7921 1.0000 0.3842 0.7562 3.7890 12.1426 0.4366 3.3454 0.7187 1.2848 1.1631 1.2399 0.5888 2.0404 1.0114 0.5231 2.7951 1.4155 1.2701 0.6802 1.0149 0.3336 0.2290 0.3932 0.4089 adenosine 5^-monophosphate (AMP) 1.1772 1.9305 0.2838 0.8465 0.1076 0.1730 0.7133 1.4179 1.8065 0.8338 1.0883 1.4020 0.9925 1.2907 1.3830 1.0886 1.6451 1.7819 0.1643 1.0075 0.1872 0.3160 0.9712 0.0457 0.9014 1.4810 1.0960 0.9894 0.9545 1.3687 adenylosuccinate 0.9791 1.2447 0.1898 0.9292 0.0772 0.3624 0.8989 0.6600 2.7633 1.2819 1.3037 1.8941 0.4064 1.4517 0.6716 2.4134 1.1936 0.4902 0.0367 1.0209 0.0960 0.5436 1.2156 0.0228 1.4507 1.6702 1.0376 0.4031 1.8007 1.0561 adipate 0.7988 0.3942 0.8356 1.3690 0.8456 1.3363 1.0375 0.7143 1.1714 1.0972 1.1189 0.9165 5.8430 0.7401 1.0113 1.0356 1.2054 0.2960 0.8173 1.5395 0.9912 1.3572 0.9807 0.8883 1.5009 5.4082 0.7161 0.9070 0.7768 1.0088 adipoylcarnitine (C6-DC) 0.4001 0.0846 0.1136 1.8895 1.0718 45.0440 0.3851 0.4050 2.9954 0.1001 2.0754 2.1557 0.0846 1.0249 1.5343 0.5772 0.4513 0.0846 0.1070 2.1491 1.1045 44.7892 0.0846 0.5880 2.6903 0.0846 0.9751 1.2931 0.5120 0.4556 adrenate (22:4n6) 0.5732 0.0980 0.0980 1.6755 1.2376 1.7498 1.7530 0.5096 0.4453 0.4355 1.1623 0.8067 0.0980 1.9930 0.4989 0.0980 0.2031 0.0980 0.0980 1.7522 1.2351 1.2487 1.0000 0.6936 1.2914 0.0980 1.7329 0.4640 0.0980 0.5805 adrenoylcarnitine (C22:4)* 0.0993 0.0993 0.5314 1.2400 2.4622 6.7916 0.1211 0.0993 0.0993 0.1894 2.7677 0.0993 0.0993 0.4666 0.3145 0.0993 0.0993 0.0993 0.6416 1.9884 4.1089 6.4738 0.0993 1.0000 1.1790 0.0993 0.3450 0.0993 0.0993 0.0993 alanine 1.4716 0.8652 0.8360 0.7843 0.7327 1.0076 0.7486 1.5202 1.5100 1.4737 1.3136 1.2804 0.9924 1.4129 1.2420 1.0943 0.7794 0.7112 0.7869 0.8362 0.6852 0.9714 1.3736 0.5031 1.2444 0.9466 1.3643 1.0580 1.0116 0.7531 alanylleucine 0.6992 0.6992 0.6992 0.6992 0.6992 0.8659 0.6992 0.6992 0.6992 0.8246 1.1802 0.6992 1.3414 1.9983 0.6992 1.0971 0.6992 0.6992 0.6992 0.6992 0.6992 0.9864 0.9991 0.6992 0.6992 0.8022 1.4483 0.6992 1.0009 0.6992 allantoin 1.1586 0.8525 1.0212 0.6585 1.1944 0.9788 0.7022 1.0538 1.3432 0.6733 0.8126 1.0450 1.1294 1.2150 0.8935 0.8284 1.1256 0.4034 1.0500 0.6952 1.3288 1.2070 0.6875 0.5706 0.8679 1.0571 1.1667 0.8228 0.6582 1.0259 allo-threonine 0.1052 0.4358 1.3167 0.1052 0.3870 1.3054 0.1052 0.1052 0.1052 2.1667 0.1052 0.1052 0.5275 1.6733 2.4289 0.1052 0.1052 0.1052 0.4164 1.0000 0.1903 0.9553 2.2225 0.1052 1.0569 1.9662 1.8279 0.5479 0.1052 0.9140 alpha-hydroxyisocaproate 0.3564 0.3564 1.2016 0.3564 0.3564 0.3564 0.3564 0.3564 0.3564 0.3564 0.3564 0.3564 0.3564 0.7085 0.3564 0.3564 0.3564 0.3564 1.9873 0.3564 0.3564 0.3564 0.7984 0.3564 0.3564 0.3564 1.5253 0.3564 0.3564 0.3564 alpha-hydroxyisovalerate 0.3570 0.3570 10.8463 0.3570 0.6710 1.5010 0.3570 0.3570 0.3570 2.7849 0.6416 0.3570 0.5997 9.6467 0.3570 1.7879 0.9717 0.3570 11.0776 0.3570 0.7096 1.7116 2.3720 0.3570 0.4530 0.9515 8.7499 0.3570 1.0000 0.9291 alpha-ketoglutarate 2.0654 0.7260 4.9273 0.6593 0.5586 0.5728 1.1524 2.4961 1.7768 1.3676 0.9927 1.3174 1.5043 1.0136 1.1414 1.0587 0.3979 0.5567 5.9757 1.0073 0.8845 0.6273 0.8048 2.3256 0.8867 1.3468 0.8663 0.9491 0.7822 0.3996 alpha-tocopherol 2.8356 3.4515 0.7799 0.8786 1.2705 0.9667 4.0173 3.6542 0.3092 0.3818 0.6142 0.3415 1.0333 0.8412 0.6008 6.2000 2.5491 4.7937 0.8212 1.4417 0.7745 0.8950 0.2175 4.8145 1.4722 4.1296 0.6395 0.5576 5.0263 1.8663 arabitol/xylitol 1.2501 0.5802 2.0725 0.5749 0.9666 1.4877 0.2106 1.1561 2.1214 0.7097 1.1852 1.6517 0.8940 1.1090 1.7848 0.6600 1.0461 0.3883 1.9045 0.6513 1.0327 0.9336 0.6552 0.2293 1.1969 0.9503 1.0973 1.5848 0.5848 0.9673 arabonate/xylonate 1.1782 4.7545 1.5107 0.2769 0.4809 2.1186 0.2403 0.7951 1.3586 0.9006 0.8412 1.2077 0.5792 1.7881 1.8914 0.2175 0.5216 2.2765 1.9688 0.5556 1.8593 1.9076 1.0994 0.2766 0.8656 0.8479 1.7762 1.8697 0.1510 0.7749 arachidate (20:0) 1.4197 1.4798 1.1698 1.0295 1.3980 1.0215 0.7451 1.3089 1.0720 0.6927 0.9378 0.7482 0.8956 0.7317 1.5505 0.5994 0.7286 1.7962 1.0744 1.0598 1.0295 0.8986 0.7629 0.9337 1.1554 0.9785 0.7314 1.0695 0.5180 0.6781 arachidonate (20:4n6) 0.6757 0.6990 0.0202 1.8747 1.6859 3.2529 3.0487 0.5449 2.0231 0.3871 0.6393 1.4584 0.0919 1.7808 1.7112 0.1351 0.9685 0.6498 0.0219 1.5548 1.0315 2.3163 0.5531 0.5982 1.7235 0.2203 3.0174 1.1363 0.1316 1.4518 arachidonoylcarnitine (C20:4) 1.0987 0.1698 1.0370 2.9092 6.8829 17.4160 0.9326 0.9630 1.0638 0.3608 7.9420 0.5720 0.0888 0.8710 1.4781 0.4862 0.1990 0.0888 1.6983 4.0010 10.9785 15.9255 0.2031 7.6034 4.2812 0.0888 0.5593 0.6207 0.4339 0.1173 arachidoylcarnitine (C20)* 1.8433 0.3564 0.2265 1.2327 1.0089 30.3759 0.5001 1.9999 2.4184 0.1293 1.5214 1.6459 0.1629 0.5926 3.8955 1.1476 0.9911 0.3200 0.2013 1.3943 1.2143 31.1534 0.1026 0.7952 1.2802 0.1382 0.5373 2.7148 0.8910 0.8090 argininate* 3.3007 0.2224 2.1049 0.6579 8.3643 0.1711 0.1105 3.5856 1.2260 1.0084 0.1105 0.9916 0.1105 0.8779 26.9431 0.6326 1.2395 0.1105 2.2652 0.8851 7.9855 0.1883 0.8394 0.1105 0.1105 0.1105 0.7818 23.5303 0.6477 1.0965 arginine 1.6088 1.5028 0.7271 0.9930 1.3085 0.6871 0.8738 1.6149 1.4551 0.9790 0.4729 1.2668 0.6384 0.9647 2.2532 0.8296 1.3312 1.1863 0.6894 1.0070 1.3528 0.6049 1.0205 0.6566 0.4826 0.5620 1.0749 1.8824 0.7906 1.2642 argininosuccinate 1.0114 0.5375 0.2953 0.9475 1.2803 0.6959 0.9726 0.8381 1.4557 1.6489 0.7638 1.2138 0.8702 1.0322 1.5322 3.6142 1.0734 0.3225 0.2460 1.0949 0.9886 0.6287 1.5915 0.9065 0.5176 0.6858 1.1401 1.6503 3.2592 1.0426 asparagine 1.6293 0.7108 1.2384 0.9790 1.1934 0.4379 0.3169 1.6848 1.5562 0.5779 0.2759 1.2933 1.2602 0.6694 2.1989 1.0210 1.1192 0.5746 1.1976 1.0871 1.2491 0.4139 0.5188 0.2220 0.2908 0.5312 0.7268 1.8574 0.8972 1.0633 aspartate 0.9563 1.8806 0.3125 0.9278 0.6438 1.1230 1.3394 0.9822 1.0785 1.3242 1.3272 0.9283 0.8403 0.4628 1.1346 1.0074 0.9926 1.5434 0.2429 0.8656 0.6068 1.1306 1.1853 1.0997 1.2174 1.2135 0.4666 1.2462 0.9406 0.9128 behenoylcarnitine (C22)* 0.9343 0.2754 0.1056 1.0308 1.0397 37.6576 0.2348 1.0821 3.4602 0.0978 1.2304 2.6597 0.0508 0.8571 4.5655 1.1520 0.7154 0.2003 0.1004 1.0604 1.0000 33.9440 0.0751 0.4320 1.3436 0.0508 0.7965 3.2693 1.0360 0.6288 behenoyl dihydrosphingomyelin (d18:0/22:0)* 1.2893 1.9086 0.2294 0.1222 1.8029 0.8985 1.9538 0.8990 0.2198 3.8130 1.7046 0.1447 0.3300 1.0782 0.6467 0.3004 2.1002 1.7691 0.2729 0.1107 2.6568 0.9218 4.1828 1.1531 1.1197 0.2462 1.3052 0.6885 0.3791 2.2873 behenoyl sphingomyelin (d18:1/22:0)* 1.4444 5.1287 0.5260 0.3061 1.6896 0.7290 1.3477 1.4436 1.2872 0.9733 0.8817 1.0673 0.6840 0.7813 1.0267 1.3934 1.7227 5.4196 0.5987 0.3157 1.9010 0.7201 0.9594 1.3764 0.6693 0.5978 0.8454 0.8682 1.3758 1.5987 benzoate 0.1361 5.2000 1.4798 0.1361 0.1361 0.1361 0.1361 0.1361 3.1471 0.1361 0.1361 0.8260 0.1361 1.4230 0.1361 0.1361 0.1361 0.1361 0.1361 0.4584 1.1740 0.1361 0.4336 0.1361 0.1361 0.1361 0.4434 0.1361 0.1361 0.1361 benzoylcarnitine* 0.2084 0.2084 0.2084 1.3849 1.0314 1.3635 0.4259 1.3684 2.0194 0.2084 0.8397 1.1476 0.2084 0.3206 1.1633 0.3445 0.2084 0.2084 0.2084 1.7499 0.9663 1.5407 0.2084 0.8214 1.0000 0.2084 0.2084 0.5306 0.3088 0.2084 beta-alanine 0.9037 0.7995 8.2950 1.6027 4.5511 1.5303 1.3081 1.0390 0.7447 0.7075 0.3129 0.4749 1.7800 0.7780 1.5783 0.2948 0.9610 0.7308 7.9718 1.8276 4.5442 1.4373 0.5850 1.7016 0.4184 1.6537 0.6653 1.2631 0.2647 0.7701 beta-citrylglutamate 1.6920 0.1535 1.2460 0.9736 0.1134 3.3602 1.0264 1.3147 1.5261 1.3204 0.3943 1.0803 0.5023 0.3865 0.1863 0.8524 1.5783 0.1164 1.2952 1.0360 0.1307 3.1390 1.1910 1.0485 0.4243 0.8516 0.3865 0.1609 0.7267 1.1420 beta-guanidinopropanoate 1.9852 0.4301 5.2480 0.5141 4.6030 1.9519 0.6461 1.1939 1.4140 0.6993 0.7020 1.2808 0.7936 1.0833 1.2979 0.2572 1.3805 0.4359 4.8523 0.4898 5.0886 1.9112 0.5445 0.5264 0.7009 0.7238 0.9167 1.2626 0.2257 1.2621 beta-hydroxyisovalerate 3.5632 1.2123 6.3200 2.7930 1.2410 0.4425 0.5496 2.1508 0.6162 1.0000 0.4448 0.7045 0.6001 0.5823 1.2504 0.2994 4.6536 1.1603 6.1520 3.2179 1.2378 0.4506 0.8052 0.6432 0.6372 0.8139 0.6106 1.7405 0.2994 4.0067 betaine 2.6928 1.6311 0.6563 0.8773 6.9906 1.2991 0.4529 2.7455 0.9632 0.6387 0.8329 0.7780 1.0571 2.2338 1.9034 0.4685 1.0368 1.3705 0.6265 0.9452 6.9166 1.2476 0.5701 0.4675 0.8626 1.1042 2.0551 1.6697 0.4154 0.8668 betaine aldehyde 0.8052 0.1929 0.1929 0.1929 2.3312 1.1295 0.1929 0.4458 0.1929 0.1929 0.1929 0.1929 0.1929 1.7459 0.1929 0.1929 1.0000 0.2284 0.1929 0.1929 1.6435 0.7583 0.1929 0.1929 0.1929 0.1929 1.8444 0.2958 0.1929 1.1449 "bilirubin (Z_Z)" 0.9121 0.3785 1.7153 0.5569 0.9399 1.0848 1.4463 0.7389 1.0990 0.8098 0.7833 0.7962 1.8461 0.9466 0.3785 1.1766 1.0222 0.3785 1.4558 0.4871 0.7883 1.1029 0.9131 1.2642 1.2104 1.8527 0.9928 0.4038 1.1402 1.0072 biotin 12.7264 0.6651 17.2442 0.7464 3.9747 0.0695 0.2253 13.6415 3.8969 0.0441 0.0441 2.8763 9.0349 0.0729 1.0000 13.4242 7.6766 0.5919 19.0507 0.7919 3.9294 0.0702 0.0441 0.0868 0.0492 0.0441 0.0775 0.8947 11.9194 6.1455 butyrylcarnitine (C4) 0.7629 0.2913 0.3281 0.8111 4.3890 4.3491 0.5620 0.8076 4.7348 0.2708 1.3495 3.3760 0.0536 1.7828 4.5526 2.4185 0.4737 0.2052 0.3190 0.7338 4.6179 4.6379 0.2304 1.1889 1.4650 0.0442 1.7253 3.6642 1.8533 0.4441 butyryl/isobutyryl CoA 0.1249 0.1249 0.1249 0.7749 1.7766 2.5407 0.2143 0.1249 3.1272 0.1249 0.1249 1.8338 0.1249 0.5612 4.6934 1.0980 1.1323 0.1249 0.1249 0.7063 1.9839 2.5756 0.1249 0.2728 0.4787 0.1249 0.4195 4.5777 0.9020 0.6099 campesterol 0.4273 0.4273 0.4273 0.4273 0.4273 1.7239 0.4273 0.4273 0.4273 0.5237 1.2552 0.4273 0.4404 1.0786 0.4273 0.7027 0.4273 0.4273 0.4273 0.4273 0.4273 1.8913 0.7887 0.4273 1.0220 0.4273 1.0000 0.4273 0.4273 0.4273 carboxyethyl-GABA 1.0842 1.5149 1.0427 0.9994 1.6535 1.1419 0.2419 1.2696 1.0006 0.3833 0.5936 0.6731 1.4670 0.8484 1.7634 0.2817 0.4840 1.0668 0.9978 1.2889 1.7942 1.3530 0.3322 0.5275 0.9809 1.4577 0.5451 1.3485 0.3556 0.4105 carnitine 1.7831 0.5937 0.4123 2.3539 1.5436 2.2624 0.8627 1.9464 2.3522 0.2610 1.2186 1.9996 0.1013 0.5305 1.5634 0.9494 1.0506 0.6872 0.3639 2.3804 1.7175 2.1426 0.2308 0.8857 1.3126 0.0803 0.4260 1.2990 0.9048 0.7910 carnosine 5.6109 1.6652 0.2930 0.2633 1.8398 1.0074 0.5937 5.7750 0.5989 0.2841 1.3365 0.4267 0.3032 1.5795 2.9899 0.3868 1.6971 1.3437 0.3286 0.2750 1.7000 0.9926 0.2915 0.8243 1.7003 0.3013 1.4901 2.4586 0.3597 1.3808 catechol sulfate 0.9768 2.0968 1.3591 0.7562 0.7114 1.0153 2.3250 0.4350 0.9731 0.4350 0.6016 0.7736 1.3497 1.0000 0.4350 0.5651 0.4350 0.4350 1.4028 0.4350 0.8374 1.1506 0.4350 1.6636 0.9811 1.2643 1.6144 0.4350 0.4350 0.4350 "ceramide (d16:1/24:1_ d18:1/22:1)*" 0.3759 1.3041 1.1388 1.2706 0.4684 1.0661 1.0500 0.3450 0.6355 1.3909 0.6186 0.5956 0.4129 1.0615 0.6609 0.5891 4.6008 1.2490 1.0196 1.3780 0.3433 0.9804 1.4382 1.1739 0.4948 0.4055 1.1468 0.8080 0.5629 4.3883 "ceramide (d18:1/20:0_ d16:1/22:0_ d20:1/18:0)*" 1.5097 1.9975 0.9198 0.6507 2.0051 0.6485 0.8983 1.3621 2.6541 0.4817 1.0145 2.6041 0.5169 2.6599 2.8616 0.8425 7.2436 3.1043 0.8846 0.7388 1.8688 0.6454 0.5062 0.8248 0.8427 0.3369 3.0893 3.8947 0.9855 6.7918 "ceramide (d18:2/24:1_ d18:1/24:2)*" 0.2686 1.0423 0.5846 1.0900 0.8302 2.4064 1.2645 0.2575 1.2377 1.0428 1.0680 1.0820 0.3743 0.6667 0.2464 1.0491 1.1638 0.8774 0.5328 1.1521 0.7955 2.2811 1.0654 1.5873 0.8186 0.3856 0.7005 0.3147 0.9577 1.1688 cerotoylcarnitine (C26)* 3.0550 0.6332 0.6469 1.0671 0.9329 3.0540 0.3349 3.4654 4.2904 0.2669 1.8780 3.7936 0.4400 5.7431 2.5870 0.7498 0.2382 0.7725 0.7008 1.6210 0.8266 2.8338 0.2382 0.6836 1.9670 0.2382 5.3849 2.3530 0.7603 0.4380 C-glycosyltryptophan 1.9560 1.1602 0.4767 2.0801 1.0712 0.5042 2.2517 1.5639 1.7541 0.4800 0.1878 1.1217 0.1437 1.0230 1.3580 0.4268 2.5535 0.8707 0.4128 1.9243 0.9770 0.3777 0.3608 3.9427 0.1712 0.1705 0.9666 1.2166 0.3747 1.6527 chenodeoxycholate 0.3035 0.3035 2.3864 0.3035 0.3035 0.3035 0.3035 0.3035 0.3035 0.3035 0.3035 0.3035 0.3035 0.3035 0.3035 0.3035 0.3035 0.3035 1.4347 0.3035 0.3035 0.3035 0.3035 0.3035 0.3035 0.3035 0.3035 0.3035 0.3035 0.5653 cholate 0.9451 0.9451 1.0549 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 0.9451 cholesterol 0.7306 1.2366 0.9995 1.2832 1.0615 0.9860 0.7663 0.8325 0.8661 0.8431 1.3934 0.6144 1.4672 1.0345 1.1653 0.8866 0.9534 1.1532 1.0252 1.5944 0.8443 0.9642 0.7556 1.1477 1.0290 1.5802 1.0005 1.0695 0.7333 0.8728 choline 2.4041 2.6325 1.6022 0.6824 1.9513 0.8505 0.7475 2.3400 1.7102 0.8916 0.8677 1.5961 0.7199 1.5293 1.9366 0.3449 0.9985 2.1628 1.5017 0.6992 1.7771 0.7654 0.9201 0.6436 0.8430 0.8654 1.6403 2.1182 0.3527 1.0015 choline phosphate 1.0468 1.2767 0.3506 0.3985 1.3363 1.0918 0.6991 1.1503 1.2829 1.1622 0.9672 1.0058 0.4787 2.0222 0.4874 1.0554 0.8606 1.0475 0.3227 0.4339 1.4668 1.1080 1.0021 0.5528 0.9979 0.4322 1.9473 0.4400 0.8966 0.7583 cis-4-decenoylcarnitine (C10:1) 0.8059 1.0222 0.6296 1.5968 2.7532 0.6450 0.3769 0.3769 0.7928 0.3769 1.5452 0.5173 0.3769 2.3054 8.5764 0.5013 0.6451 0.3769 0.4380 1.2743 3.5168 0.6347 0.3769 1.0000 1.0916 0.3769 1.2134 2.7962 0.3926 0.3769 citrate 1.3339 2.6871 0.9872 0.9309 0.6181 1.3321 1.1776 1.1147 1.0828 0.9004 0.6698 0.8812 0.4628 0.9609 1.2433 0.6940 1.8998 2.7206 1.0985 1.2232 0.7004 1.4562 0.7811 1.5015 0.7829 0.5400 0.7860 1.0128 0.4808 1.4912 citrulline 0.1936 4.5998 4.0455 2.3638 0.9672 0.7662 0.9364 0.1328 1.7288 3.2481 0.8744 2.1147 5.0917 0.4733 0.0845 0.9915 12.9710 3.6555 3.6569 2.7240 1.0085 0.7479 2.5025 0.6811 0.6606 5.7635 0.4711 0.1084 0.7303 12.7272 coenzyme A 0.7428 2.1561 1.1823 0.8341 0.7653 1.0547 1.0630 0.9115 1.5382 0.7308 0.7429 1.1533 2.1762 1.2829 0.9790 1.3250 1.1528 1.7435 0.7557 1.0210 0.8759 0.9574 0.8041 0.5616 0.5965 2.2489 1.3311 0.7078 1.1176 0.9375 creatine 1.8458 1.2147 3.1195 0.2691 1.9107 0.9584 0.9726 2.0727 1.8871 0.9808 0.6756 1.5416 0.7078 0.1393 1.9296 0.4593 2.2818 1.2813 2.9079 0.2969 2.2744 1.0192 0.8199 0.8402 0.8047 0.6552 0.1484 1.4292 0.3892 1.8850 creatine phosphate 0.8580 2.5808 14.4120 0.1681 3.9562 0.2468 0.1681 0.1681 1.2239 0.3304 0.1681 0.7974 57.8239 0.1681 0.9309 0.1681 0.1681 1.9031 13.7231 0.1681 4.6208 0.3025 0.2166 1.0000 0.1681 38.4599 0.1681 0.9953 0.1681 0.1681 creatinine 1.2023 1.0538 2.1812 0.4450 1.0971 0.9702 0.8185 1.2502 1.4120 0.5679 0.7001 1.0919 1.1614 0.5987 1.2078 0.5349 1.4467 0.8575 1.6912 0.4819 1.0645 0.9838 0.5270 0.6410 0.7031 1.0162 0.5664 1.1263 0.4746 1.2112 cystathionine 0.1334 0.1134 0.0647 0.2023 2.1410 2.2274 0.1195 0.1404 1.9355 2.3282 1.0143 1.4610 0.9596 2.6642 1.7497 0.4546 1.2158 0.0919 0.0628 0.2248 2.0892 2.1955 2.0726 0.0974 0.9127 1.4330 2.5105 1.5030 0.4227 0.9857 cysteine 0.7746 1.6228 0.3941 0.3804 1.3576 3.8149 0.3211 0.9289 0.6202 1.0711 0.1757 0.5289 1.1856 2.2828 0.8877 0.3802 1.9698 1.1762 0.3805 0.3641 1.3592 3.7539 1.3081 0.2863 0.1416 1.1251 2.4027 1.2432 0.4112 2.1873 cysteine-glutathione disulfide 0.3727 1.0000 0.3727 0.3727 0.8102 2.2598 0.3727 0.3727 0.3727 0.3727 0.3727 0.3727 0.3727 2.1545 0.3727 0.3727 0.7743 0.3727 0.3727 0.3727 1.3287 2.0971 0.3727 0.3727 0.3727 0.3727 1.9202 0.8765 0.3727 0.7448 cysteine sulfinic acid 0.0590 0.0590 0.0590 0.0590 0.0590 0.0909 0.0590 0.0590 0.0590 1.0000 2.5027 0.0590 0.0655 0.0590 0.0590 0.0590 0.0590 0.0590 0.0590 0.0590 0.0590 0.0590 1.0505 0.0590 2.8944 0.0590 0.0590 0.0590 0.0590 0.0590 cysteinylglycine 0.7484 1.7025 0.5974 0.8744 0.8126 2.6710 0.5611 0.7098 1.1346 1.7168 1.0333 0.8775 2.2800 1.2120 0.7658 1.1652 1.3502 1.7956 0.6414 0.9070 0.7011 2.6460 1.6300 0.5710 0.6731 2.3187 0.9667 0.6393 1.2454 1.0678 cystine 1.0610 0.4069 0.7333 0.0608 3.6511 1.0000 0.3514 2.1102 0.1839 0.2047 0.0608 0.1864 0.3738 2.5940 1.7927 0.0608 4.2122 1.2592 1.4154 0.0608 0.9311 1.5785 0.4699 0.2990 0.0608 0.1676 3.3347 2.2217 0.0608 3.6105 cytidine 2.8214 0.0105 0.0097 1.8302 2.3015 0.0185 0.0113 2.9046 1.9332 0.0141 0.3904 1.6693 0.4907 1.4948 1.7705 0.0293 1.6564 0.0122 0.0065 1.6808 1.7951 0.0228 0.0166 0.0194 0.7335 1.2665 1.7326 1.8126 0.0267 1.7287 cytidine 5^-diphosphocholine 0.8649 0.9899 0.9817 1.1924 0.4446 0.4660 0.6327 0.8992 1.2117 1.6643 1.2262 1.1142 1.9288 1.0658 1.0356 0.8359 1.0163 0.7372 0.4812 1.1807 0.4960 0.3648 1.5910 0.5244 1.0101 2.0209 0.8923 1.3628 0.8622 1.0113 cytidine-5^-diphosphoethanolamine 2.4465 1.3805 1.9601 0.5095 0.3066 0.4166 0.8173 2.2315 1.7005 0.7549 1.7138 1.3779 1.6836 0.9367 3.1950 0.5101 1.0320 1.0248 1.6297 0.5753 0.3204 0.3959 0.7245 0.4670 1.1907 1.4420 0.9334 2.8611 0.4459 0.9752 cytidine 5^-monophosphate (5^-CMP) 0.7647 1.2105 0.6995 0.9674 0.8128 0.6883 0.4356 0.9967 1.4419 0.9834 0.7413 1.0667 1.1358 1.8742 1.0241 1.5290 1.8151 1.0748 0.5487 1.1326 0.9214 0.7755 1.0033 0.2466 0.7126 1.6843 1.5486 0.8229 1.0799 1.2964 cytidine 5^-monophospho-N-acetylneuraminic acid 0.6788 1.6028 1.2936 0.4363 1.7399 1.4772 0.4954 0.5874 1.0619 0.9904 0.7508 0.8380 0.7870 2.3597 0.8256 1.6587 1.0480 1.1005 1.3320 0.4459 2.1376 1.4651 0.8519 0.4926 0.7146 1.0035 2.1252 0.7245 1.2951 0.9965 cytidine diphosphate 2.7576 0.6574 5.5724 1.0621 1.2355 0.2904 0.4050 2.5053 0.7849 6.2383 0.4662 0.6716 3.6755 0.7757 1.1154 4.1900 0.3164 0.8425 3.9714 1.0327 1.9722 0.4753 4.0054 0.4269 0.2922 3.5882 0.4100 0.9673 2.6513 0.2158 cytidine triphosphate 1.1139 0.0976 6.9206 0.0991 1.0000 0.0976 0.0976 0.7112 0.0976 4.2789 0.0976 0.0976 1.6205 0.0976 0.0976 1.5961 0.0976 0.0976 7.2123 0.0976 0.9172 0.0976 1.9876 0.4139 0.0976 0.7009 0.0976 0.0976 0.8889 0.0976 decanoylcarnitine (C10) 2.2324 0.2115 0.6129 1.5668 2.6443 0.4750 0.2115 1.9511 1.3483 0.2115 0.9801 1.0199 0.2115 0.2115 4.6170 0.2115 0.2115 0.2115 0.4663 1.7227 3.5273 0.2115 0.2115 0.9101 0.8031 0.2115 0.6325 0.2115 0.8653 0.2115 deoxycarnitine 1.7348 0.7952 0.5607 0.9792 2.4171 1.5646 0.3479 1.8094 1.3774 0.3506 1.0528 1.0208 0.3354 1.5119 1.5696 0.4138 0.7498 0.6201 0.5548 1.1003 2.5006 1.5386 0.3238 0.4205 1.1715 0.3378 1.4071 1.3387 0.3570 0.6657 deoxycholate 0.4276 0.4276 11.1958 0.6597 0.4276 0.4276 0.4276 0.4276 0.4276 0.4276 2.2297 1.0098 0.4276 0.4276 0.4276 0.4276 0.9902 1.3058 11.4446 0.8837 1.3866 0.4276 0.4276 0.4276 0.4276 0.4276 0.4276 0.4276 0.5919 0.6526 "diacylglycerol (12:0/18:1_ 14:0/16:1_ 16:0/14:1) [1]*" 2.8210 1.0930 0.1476 0.3028 0.1476 0.2375 0.1476 4.0601 5.3909 0.5374 0.1476 5.0173 0.1476 7.5343 0.9070 2.1334 9.8647 0.1476 0.1476 0.7354 0.1476 0.1888 0.3445 0.3973 0.1476 0.2571 6.8576 0.6033 1.6167 6.4479 "diacylglycerol (12:0/18:1_ 14:0/16:1_ 16:0/14:1) [2]*" 2.1092 2.1658 1.1649 0.8040 0.6447 1.0213 0.5916 2.1425 5.3790 0.7645 0.2901 4.3297 0.5796 9.9653 1.1459 2.5060 10.3078 1.4786 0.9599 0.8909 0.7268 0.9787 0.6741 0.6920 0.3496 0.9757 10.8809 0.9105 2.1686 10.0814 "diacylglycerol (14:0/18:1_ 16:0/16:1) [1]*" 1.4612 2.2443 1.1091 0.8433 0.8188 0.2597 0.0249 1.8672 3.4199 0.5457 0.1143 2.6862 0.2692 2.9441 0.1503 1.0978 2.6627 2.3639 1.4660 1.1409 1.0576 0.3222 0.3416 0.6797 0.1100 0.4597 2.8144 0.5744 0.9424 2.4128 "diacylglycerol (14:0/18:1_ 16:0/16:1) [2]*" 1.3780 2.5479 1.1011 1.0100 0.7509 0.6473 0.5785 1.4858 2.2007 0.7719 0.4294 1.7795 0.6760 2.1950 0.5901 1.1349 2.0516 1.6743 0.9900 1.0849 0.8538 0.8487 0.6156 0.8471 0.3991 0.9895 2.3375 0.6788 1.0142 2.0280 "diacylglycerol (16:1/18:2 [2]_ 16:0/18:3 [1])*" 1.2046 2.7666 0.8196 1.0785 1.2549 0.5040 1.5305 1.1443 2.2425 0.5336 0.3980 1.6541 0.5358 9.4418 0.5771 0.5368 3.8524 2.4181 0.7575 1.0090 1.4171 0.4318 0.6391 0.8672 0.4303 0.9910 8.6684 0.4216 0.5173 3.4482 diadenosine triphosphate 0.3394 28.9867 0.3394 0.3394 0.3394 3.5013 24.4972 0.3394 0.3394 0.8251 0.7464 0.3394 3.3953 0.3394 0.3394 0.3394 0.6854 31.9956 0.3394 0.3394 0.3394 3.7616 0.6461 34.0153 0.4510 6.8732 0.4572 1.0000 0.3394 0.5114 dihomo-linoleate (20:2n6) 0.5965 12.9290 0.1204 3.5724 1.3275 5.4111 1.3047 0.4517 0.7010 1.1119 0.8106 0.5280 0.2094 3.1404 0.6705 0.4203 2.3901 13.8518 0.1690 2.9608 0.7208 4.6686 1.3875 1.0692 0.9308 0.3866 4.1272 0.4863 0.3871 2.8676 dihomo-linolenate (20:3n3 or n6) 0.8149 5.1267 0.1049 4.1797 1.0405 3.5455 2.6364 0.7918 3.2742 0.2569 0.4439 2.5500 0.1977 2.0083 1.5495 0.3136 1.3350 3.5611 0.1119 3.7652 0.6244 3.0887 0.6464 0.9595 0.9182 0.4133 4.4336 0.8145 0.2473 2.8329 dihomo-linolenoylcarnitine (20:3n3 or 6)* 0.7844 0.3266 1.0000 2.6987 2.1048 25.6185 0.3234 1.0457 0.6599 0.3892 2.0587 0.2909 0.2227 2.2366 0.6049 0.2448 0.4872 0.2227 1.3977 4.0990 3.7556 26.6277 0.2227 3.4468 1.0741 0.2227 1.3446 0.2272 0.2272 0.3256 dihomo-linoleoylcarnitine (C20:2)* 1.1474 0.8141 0.9540 5.7470 1.5331 78.4889 0.4940 1.4218 0.6693 0.3567 2.1397 0.3303 0.2120 2.2554 1.0460 0.4783 0.3804 0.5960 0.9021 8.9828 2.8296 89.5974 0.2120 1.1624 1.4033 0.2120 1.5261 0.3058 0.3289 0.3134 dihydrobiopterin 0.4649 5.4263 0.4649 0.4649 0.4649 0.4649 4.7049 0.4649 0.4649 0.4649 0.6654 0.4649 0.4649 0.4649 0.4649 0.4649 0.4649 3.8997 0.4649 0.4649 0.4649 0.5306 0.4649 4.6214 1.0000 0.4649 0.6499 0.4649 0.4649 0.4649 dihydroorotate 0.1352 1.9747 0.1352 0.2830 0.3649 0.8156 60.1115 0.1352 45.6449 0.1352 0.7283 21.3918 0.1818 6.7569 0.5773 1.4928 0.3172 2.0629 0.1352 0.6601 1.1844 1.7596 0.1352 58.3626 0.1860 0.1352 3.0325 0.1352 0.4148 0.1352 dihydroxyacetone phosphate (DHAP) 2.5379 2.0565 1.5667 0.8027 0.9946 0.8394 0.2108 1.7201 0.3537 1.4383 9.1704 0.2929 1.8786 0.4599 1.1588 7.1815 0.1745 1.2261 2.2279 1.0054 0.5543 0.6770 0.8304 0.3867 13.4015 3.1435 0.1983 0.3080 8.2732 0.1149 dimethylarginine (SDMA + ADMA) 2.9087 2.6288 0.3858 0.9212 1.9630 0.7699 1.1112 1.7032 1.9674 1.0135 0.2760 1.9554 0.3443 1.7480 0.5568 0.5446 2.1228 1.5143 0.3458 0.6814 1.2209 0.5497 1.1972 0.9865 0.3578 0.3865 2.6112 0.5717 0.7065 2.9925 dimethylglycine 1.1019 1.0654 1.2471 0.9981 2.4767 0.5995 0.5859 1.6909 1.1258 0.5957 0.7297 0.8513 1.3282 1.3105 0.8295 0.6692 1.0019 1.0463 1.2489 1.0574 2.0676 0.5910 0.5429 0.5518 0.4536 1.1192 1.0524 0.6822 0.5298 0.8988 dimethylmalonic acid 1.8553 0.3416 5.3333 1.0000 4.6814 0.8013 0.4765 1.3805 1.2626 0.3416 0.9867 0.3732 0.6989 1.3879 0.3416 0.3416 0.3416 0.3416 5.2767 0.9880 3.2273 0.4512 0.3416 0.4999 0.3416 0.9318 1.2686 1.4263 0.3416 0.3416 docosadienoate (22:2n6) 0.3108 3.5258 0.1772 2.5292 1.3501 3.5823 0.9214 0.2705 0.3346 1.5719 1.1666 0.1904 0.2078 2.3417 0.3901 0.5043 0.9460 3.6597 0.2142 2.0905 0.7319 3.0752 2.2397 1.3094 1.3728 0.3602 2.7306 0.2339 0.4132 1.0540 docosadienoylcarnitine (C22:2)* 0.5852 0.2397 0.2397 5.0806 1.4504 159.4140 0.5154 0.9251 0.6344 0.2397 2.4833 0.2919 0.2397 3.8794 0.9911 0.4015 1.9770 0.6727 0.2426 6.5784 2.0628 165.0349 0.2397 1.0000 1.6417 0.2397 3.1097 0.6126 0.2681 1.2966 docosahexaenoate (DHA; 22:6n3) 0.4955 0.3498 0.0434 1.4370 2.3971 2.2908 3.1692 0.4450 1.2540 1.1403 1.2103 0.7491 0.1754 1.1918 0.8277 0.2354 0.7030 0.4311 0.0475 1.2282 1.3465 1.9932 1.7258 1.4748 1.5261 0.4085 1.4216 0.6221 0.2560 0.8597 docosahexaenoylcarnitine (C22:6)* 1.0491 0.1610 3.8384 3.5694 6.8251 15.6074 0.5557 0.9509 0.6410 0.7127 22.1129 0.1610 0.1610 0.6438 0.7071 0.6909 0.1610 0.1610 5.7353 6.2350 11.8524 23.8887 0.4316 10.5771 10.0208 0.1610 0.3768 0.2974 0.5786 0.1610 docosapentaenoate (n3 DPA; 22:5n3) 0.8354 0.7440 0.0774 2.9862 2.3733 3.2272 3.1649 0.6687 1.6773 0.4403 2.0344 1.1577 0.2884 1.9035 1.3877 0.3656 0.7746 0.8221 0.0931 2.6716 1.3333 2.8752 0.7455 1.0695 1.9470 0.6164 2.4115 0.9305 0.3647 0.8740 docosapentaenoate (n6 DPA; 22:5n6) 0.8489 0.7436 0.2024 2.6656 2.7763 5.5453 3.9015 0.6088 0.8132 8.1810 1.4784 0.8515 0.2020 1.0070 1.6070 0.1582 0.4697 0.5590 0.1608 1.8947 1.2102 4.7128 8.1631 3.4138 3.3359 0.3199 1.8788 0.9930 0.1934 0.9800 docosapentaenoylcarnitine (C22:5n3)* 0.9328 0.0689 1.0672 2.2665 3.1612 14.3628 0.1649 1.2567 0.4122 0.1512 5.2140 0.1454 0.0689 0.4172 0.5579 0.3199 0.0689 0.0689 1.4197 4.0700 6.7868 19.4138 0.0689 1.7689 1.7748 0.0689 0.2487 0.1519 0.2275 0.0689 docosatrienoate (22:3n3) 0.3724 0.1444 0.1444 2.5536 1.0527 3.4707 2.1554 0.1444 0.5833 2.9973 1.5718 0.4595 0.6218 5.8333 0.3483 0.2296 1.1754 0.1444 0.2381 2.3099 0.8850 5.3886 4.2762 0.8958 1.4026 0.4877 5.3022 0.4068 0.1444 0.9473 docosatrienoate (22:3n6)* 0.0706 0.0706 0.0706 1.4779 0.9367 11.3329 1.0633 0.0706 0.1248 3.4832 1.4530 0.0745 0.0706 7.8803 0.1970 0.1856 0.8681 0.0706 0.0706 1.2281 0.4764 9.3632 4.0722 1.0687 0.9218 0.1484 9.6321 0.0845 0.1711 1.3236 docosatrienoylcarnitine (C22:3)* 0.7620 0.1133 0.5770 4.3160 1.2807 148.9588 0.5444 0.9209 0.7261 0.1133 2.3282 0.3042 0.1133 3.6852 1.0791 0.2381 0.1133 0.1133 0.4388 5.3607 1.8563 159.5607 0.1133 0.7510 1.2250 0.1133 2.3643 0.1133 0.1586 0.1133 eicosanoylsphingosine (d20:1)* 0.6197 7.0511 0.3247 1.8146 2.0996 1.0551 0.5739 0.6771 0.4340 0.7173 2.3373 0.3465 0.6636 1.2927 46.2207 0.1975 12.3938 7.0322 0.3856 1.9231 2.1895 0.9449 0.5840 0.7139 2.2248 0.6284 1.3570 41.2722 0.1804 11.4771 eicosapentaenoate (EPA; 20:5n3) 0.7001 0.8015 0.0670 1.4366 1.4865 3.2332 4.5803 0.9248 3.1079 0.1965 0.4129 2.2240 0.1267 1.0124 1.4874 0.4134 2.2160 0.8369 0.0806 1.2284 0.6629 2.5929 0.2744 1.0043 0.9957 0.2160 1.2829 1.1623 0.2956 2.9147 eicosenoate (20:1) 0.6198 1.0350 0.3043 3.1310 1.7594 2.8851 1.0526 0.4983 0.5503 1.2202 1.0920 0.4111 0.2191 0.9692 0.6962 0.7791 0.6279 1.1138 0.3765 2.7891 1.0308 2.4266 1.7041 1.1344 1.1569 0.3975 1.1355 0.5239 0.7762 0.6484 eicosenoylcarnitine (C20:1)* 1.6562 0.6043 0.5093 4.6761 1.2303 48.8023 1.0197 1.9950 0.9803 0.2985 1.6877 0.6355 0.0849 1.1262 1.3819 1.0881 0.7853 0.5522 0.4227 6.0970 1.9367 49.7384 0.2050 1.4720 1.0934 0.0682 0.7624 0.6197 0.7799 0.5838 ergothioneine 0.0436 0.0436 1.5741 4.0976 0.0436 4.9697 1.2676 0.0436 0.0692 0.4464 1.1848 0.0436 0.2534 0.0436 0.8414 0.3624 0.0436 0.0436 1.1586 4.3089 0.0436 5.2330 0.3993 1.2477 1.6050 0.2918 0.0436 0.5868 0.3489 0.0436 erucate (22:1n9) 0.7887 0.9579 0.5775 2.1508 1.6718 3.2841 1.1511 0.5827 0.5884 1.0469 1.0922 0.4643 0.5881 1.3470 0.7220 0.8936 0.7409 1.1391 0.7123 2.3914 0.9957 2.8611 1.7275 1.4206 1.6165 0.6723 1.3916 0.5922 1.0043 0.8282 erucoylcarnitine (C22:1)* 0.8412 0.1572 0.1482 2.4393 1.3305 105.0298 0.5004 0.8992 1.1285 0.1476 1.4428 0.7784 0.1088 2.1083 1.5883 0.9173 1.0827 0.1831 0.1088 2.6489 1.4771 105.5583 0.1428 0.7628 1.1524 0.1088 1.9034 1.1589 0.7757 0.8850 erythritol 1.3816 0.7283 1.6944 0.6262 0.9858 0.3786 0.7513 1.2400 2.8168 0.9407 1.0404 1.9834 1.5425 1.1354 1.1462 0.9737 1.0148 0.5588 1.6877 0.7931 1.1885 0.4129 0.9727 0.5500 1.0817 1.1448 1.0142 0.8005 0.8319 0.8176 erythronate* 1.3284 0.3093 1.9060 0.7095 1.1106 1.5226 0.7603 1.2390 1.3040 0.9605 0.7520 1.0408 1.1658 1.4295 1.1793 0.4541 0.8851 0.2351 1.7763 0.8170 1.2518 1.4245 0.8555 0.5581 0.8080 0.6884 1.3830 1.0395 0.3745 0.7372 ethylmalonate 0.0430 0.6429 0.0430 0.0430 0.0430 1.0855 0.2184 0.0430 3.1713 0.6672 0.2209 2.5444 1.0292 7.4018 5.1081 4.1254 6.6921 0.5152 0.4253 0.0430 0.0430 0.9708 0.5765 0.2493 0.1838 0.6697 7.0024 4.4452 3.3182 5.0090 flavin adenine dinucleotide (FAD) 1.2558 2.9385 0.7418 0.9986 1.2615 1.2804 0.8178 1.2426 0.9745 1.1594 0.6158 0.6715 0.8161 0.6366 1.5627 0.7692 1.0973 2.5322 0.7516 1.1410 1.2203 1.2923 0.9246 1.0328 0.6289 1.0014 0.5991 1.3915 0.6368 0.7848 flavin mononucleotide (FMN) 0.6959 1.2164 1.0033 0.8141 1.2648 0.9393 1.1138 0.4493 1.0000 1.9089 0.6079 0.5327 1.1811 0.6314 1.8816 0.9757 1.9799 1.3455 1.1760 0.9388 0.7835 0.8892 1.6187 1.8801 0.4493 1.6440 0.5071 1.6291 0.7721 0.9723 folate 0.1843 0.1843 0.1843 0.1843 0.1843 0.1843 0.1843 0.1843 1.0000 0.1843 0.1843 0.6759 0.1843 0.1843 2.0232 0.1843 0.1843 0.1843 0.1843 0.1843 0.1843 0.1843 0.1843 0.1843 0.1843 0.1843 0.1843 1.7564 0.1843 0.1843 fructose 1.3001 0.7319 1.0275 1.4433 0.9725 1.8486 0.3486 0.8426 3.6839 0.8269 3.7872 3.4102 0.6856 1.6660 0.4462 1.9605 0.8763 0.4271 0.8385 1.6032 1.0370 1.1739 0.8463 0.2584 8.2163 0.9065 1.6368 0.3288 2.5974 0.8381 fumarate 1.1802 0.6542 0.5312 0.5614 0.8790 0.7699 1.0042 1.0708 1.2589 1.4425 1.1980 1.1202 1.1163 0.9976 0.7031 2.8369 0.8659 0.7223 0.5521 0.6502 0.7423 0.8010 1.3216 1.1335 1.0368 1.0999 1.0024 0.7335 2.4376 0.6818 galactitol (dulcitol) 1.2776 0.6885 1.1494 1.1671 0.7867 0.5039 0.8881 1.3088 3.9368 1.2108 1.0318 4.2095 1.1544 0.9881 0.5514 1.1776 0.8561 0.5624 1.2037 1.4762 1.0119 0.6354 1.2119 0.8975 0.9135 1.1401 0.7582 0.5093 0.7852 0.7469 galactonate 3.2215 1.0002 3.2136 0.8574 1.4756 1.0540 0.7011 2.8916 0.9518 1.3628 0.4637 0.8454 0.0726 0.9998 1.2687 0.5497 2.9308 0.4618 2.5648 1.1273 2.1857 0.7199 1.2026 0.9889 0.4034 0.0694 0.9047 1.2387 0.6783 3.0067 galactose 1-phosphate 0.6323 1.4532 1.9092 0.2946 0.4252 2.3428 0.1335 0.2406 1.1882 3.2292 4.7433 0.7986 4.8556 0.8160 1.0870 8.2044 0.3500 0.9130 1.8505 0.4958 0.5687 1.2561 2.1885 0.1260 4.7933 4.8286 0.7108 0.4139 9.5759 0.1921 galactosylglycerol* 0.1905 1.6568 1.0347 1.6205 0.1889 1.1252 0.1773 0.1773 0.3583 1.3050 0.1773 0.2601 1.6977 0.4886 1.4618 0.5925 0.9897 1.2377 1.0000 1.9106 0.2419 1.1276 1.2108 0.1773 0.2223 2.0841 0.4210 1.3652 0.4371 0.7972 gamma-aminobutyrate (GABA) 2.1208 1.5330 1.0144 0.4103 4.6848 0.3918 0.2090 2.2484 0.8134 1.1121 0.2442 0.6527 1.8753 0.7703 1.9698 0.5022 1.4313 1.3127 1.0057 0.4568 4.9843 0.3903 0.9943 0.1793 0.2829 1.7597 0.7373 1.6779 0.4463 1.2622 gamma-glutamyl-2-aminobutyrate 0.8912 30.6421 1.4194 0.3036 1.2865 0.9445 0.7564 0.8218 0.9158 1.7967 0.6116 0.6558 2.8735 0.8892 1.1636 0.3036 1.7466 27.0218 1.3782 0.4583 1.4889 1.0501 1.3578 1.0000 0.6081 3.0694 0.7990 0.6284 0.3543 1.8123 gamma-glutamylalanine 0.1776 3.7282 0.9205 0.1776 0.1776 0.1776 0.1776 0.1776 0.1776 0.1776 0.1776 0.1776 0.3363 1.1364 1.4723 0.6413 0.1776 4.2007 1.0795 0.1776 0.1776 0.1776 0.1776 0.1776 0.1776 0.1776 0.3022 1.4922 0.7046 0.1776 gamma-glutamyl-alpha-lysine 0.1452 0.6670 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 1.3922 0.4004 0.1452 0.1452 1.3330 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 0.1452 1.3385 0.1452 0.1452 0.1452 gamma-glutamylcysteine 0.7418 6.3015 0.4176 1.4561 0.4850 1.4233 1.5772 1.0133 1.8230 4.5281 0.9858 1.1815 3.7231 0.8676 0.6791 0.7923 0.6945 4.7710 0.3541 1.6150 0.6752 1.5641 4.5971 1.2743 0.7610 3.7685 0.9867 0.6178 0.6200 0.5537 gamma-glutamyl-epsilon-lysine 3.4148 0.2474 1.4809 8.3433 0.2742 4.9632 4.9034 3.5457 1.0513 1.4329 0.5876 0.7474 3.7041 0.7930 0.9487 0.0834 0.5369 0.2144 1.6715 9.3781 0.2880 5.1646 1.2852 5.7291 0.4450 3.8263 0.7145 0.8053 0.0567 0.3933 gamma-glutamylglutamate 0.7907 1.9025 2.1684 1.1583 0.7987 0.5830 0.8954 0.8670 1.2434 1.5945 0.9253 0.9491 2.5345 1.0695 0.7874 0.5169 0.8438 1.7555 1.9111 1.1468 1.2380 0.7354 1.7827 1.0471 0.9529 3.0535 1.1831 0.7050 0.3683 0.6588 gamma-glutamylglutamine 0.8535 1.5757 0.1984 0.3544 1.7475 0.9806 0.1190 0.9254 0.2137 1.0194 0.5651 0.0981 1.3569 5.7654 12.2772 1.7985 1.5275 1.2882 0.2125 0.4501 1.8412 1.2355 0.8471 0.0756 0.1984 0.8326 4.6206 14.9739 1.2692 1.4407 gamma-glutamylglycine 0.2396 28.5301 4.3652 0.2396 0.2396 0.3776 0.2396 0.2396 0.8172 0.2396 0.2396 0.5585 0.2396 1.1870 1.3434 0.2396 0.2633 23.3511 4.3172 0.2396 0.4365 0.5721 0.2396 0.2396 0.2396 0.2396 1.0000 1.4852 0.2396 0.2396 gamma-glutamylisoleucine* 0.1461 1.2153 1.0212 0.5171 0.5387 1.6132 0.7659 0.1769 1.8891 2.0026 2.7008 1.2892 4.2060 0.7433 1.2822 0.9986 0.4461 1.0014 1.0551 0.5754 0.4533 1.6410 2.1305 0.5085 2.0071 7.0607 0.5407 0.9862 0.8629 0.2652 gamma-glutamylleucine 0.1087 24.2614 0.8618 0.5113 0.4101 0.9656 1.8987 0.1087 1.0029 1.6961 2.1463 0.7166 3.5172 0.5244 1.4797 0.7786 0.3873 19.8137 1.0000 0.5402 0.5190 1.0094 1.4669 1.2085 1.4234 5.9269 0.5423 1.2871 0.6429 0.3290 gamma-glutamylmethionine 0.1810 1.6873 3.3580 0.2220 1.3560 1.2742 0.4159 0.1810 0.1810 0.4619 0.4252 0.1810 0.9196 2.1608 1.8352 0.3341 1.2183 1.0984 3.9021 0.4076 1.0804 0.7578 0.2788 0.4893 0.1810 0.7626 1.5156 1.8126 0.4297 1.2769 gamma-glutamylphenylalanine 0.2192 2.2096 0.2192 0.2192 0.2212 1.7267 0.2192 0.2192 0.2192 2.5059 1.0000 0.2192 3.6061 0.6672 0.2192 0.3209 0.2192 2.5966 0.4964 0.2192 0.2192 1.2682 1.8155 0.2192 0.8823 12.0311 0.6502 0.2192 0.3192 0.2192 gamma-glutamylthreonine 0.2257 24.6523 1.5960 0.7394 0.3668 0.9125 2.4526 0.2257 0.6162 5.4650 2.3077 0.4041 12.4023 0.7361 2.1727 0.8412 0.2659 14.2547 1.2481 0.7494 0.5507 0.9225 5.7198 1.0775 1.6572 13.5400 0.8345 1.4314 0.6906 0.2257 gamma-glutamyltyrosine 0.3986 0.3986 0.3986 0.3986 0.3986 1.0703 0.3986 0.3986 0.3986 1.2399 0.5060 0.3986 1.5916 0.3986 0.3986 0.3986 0.3986 0.3986 0.3986 0.3986 0.3986 0.9297 1.1016 0.3986 0.5266 5.2085 0.4239 0.3986 0.3986 0.3986 gamma-glutamylvaline 0.0825 21.6497 1.2886 0.2810 0.3946 0.6969 1.6734 0.0825 1.2241 1.6953 2.6071 0.8585 4.3812 0.6409 1.0467 0.4664 0.2293 18.0907 1.3431 0.3392 0.2273 1.0000 1.7938 1.1825 2.2190 5.0214 0.6935 0.7791 0.6392 0.3474 gluconate 1.0523 1.2412 2.0964 0.2090 1.1134 8.9107 0.8231 0.0670 1.7633 0.2455 0.9477 1.4618 0.7150 1.1764 0.4277 1.2817 0.2323 0.6330 1.2250 0.2404 0.4157 5.0231 0.0670 0.6925 1.4958 0.5226 1.3913 0.0670 1.8679 0.4710 glucose 0.6284 0.6376 0.7601 0.4202 0.5086 3.9138 0.3271 1.4885 0.2817 1.0000 1.9234 1.0934 0.3759 1.6154 0.7656 4.4417 1.7053 0.2817 0.6048 0.4416 0.6958 1.9972 1.0852 0.2817 26.0403 0.3734 1.3969 0.2817 2.8368 1.0578 glucose 6-phosphate 0.4472 0.2284 0.8706 0.1296 1.1401 2.4504 0.1590 0.4321 0.4118 2.1950 7.8817 0.3196 2.5326 1.5176 1.3537 14.8973 0.4300 0.1689 0.7108 0.1263 1.1353 1.2403 1.9986 0.2872 11.7679 3.6957 0.8849 1.1151 11.9876 0.3364 glucuronate 0.7224 3.7192 1.0277 1.1940 2.0137 2.5985 0.9708 0.6247 0.3700 1.9916 0.8954 0.3076 0.3914 2.1341 0.5577 1.5729 0.9072 3.5986 1.0019 1.1566 2.1380 2.4979 1.9066 0.6461 0.8040 0.3278 2.9366 0.4954 0.9092 0.9981 glutamate 1.7107 1.4040 0.9738 0.9056 0.6706 0.9037 1.6606 1.7857 1.3108 1.5665 1.5531 1.0262 2.2055 0.9014 0.9714 0.7646 0.5975 1.1860 0.9049 1.0267 0.7508 0.9396 1.3786 1.5001 1.3135 2.3208 0.8280 0.7814 0.6434 0.5161 "glutamate_ gamma-methyl ester" 1.4419 0.7625 2.3327 1.4759 0.4148 0.6243 1.7556 1.2573 1.1151 2.1608 1.1591 0.6974 2.3398 0.5322 0.4920 0.8143 0.4033 0.6280 2.4139 1.7705 0.3955 0.7255 1.7151 1.8783 1.1346 1.6425 0.4816 0.3408 0.8849 0.3373 glutamine 0.8684 0.4790 0.0565 0.7370 0.6704 3.4807 0.5210 0.8110 1.1184 3.9005 2.7938 0.8816 2.1441 4.2861 3.6555 1.4948 0.7826 0.3210 0.0379 0.8104 0.7344 3.4011 3.3016 0.1910 1.9228 1.6577 4.0336 3.1078 1.2844 0.8210 glutarate (pentanedioate) 4.5652 1.3979 1.2756 0.5346 0.4291 41.4722 0.5858 4.2913 1.5314 0.3770 0.2389 1.3132 0.6051 1.3115 0.9035 1.7915 1.3608 0.9584 1.0416 0.6276 0.5012 38.5374 0.3447 0.4819 0.1847 0.5521 1.1620 0.7265 1.5102 1.0870 glutarylcarnitine (C5-DC) 1.1649 0.2149 0.2149 0.2149 0.2149 15.3317 0.2149 1.0000 0.8151 0.2149 0.2149 0.2149 0.2149 0.2149 0.2149 0.2149 0.2149 0.2149 0.2149 0.2438 0.2149 14.7622 0.2149 0.2149 0.2149 0.2149 0.2149 0.2149 0.2149 0.2149 "glutathione_ oxidized (GSSG)" 1.3280 3.0839 0.7065 0.8661 1.0855 1.5748 0.7647 1.0013 1.3418 1.5754 0.9670 0.9987 1.1225 1.0347 1.2953 0.9170 0.8936 2.5785 0.6293 0.9724 1.1283 1.5157 1.3395 0.9662 0.8818 1.1019 0.9110 0.7725 0.7148 0.6484 "glutathione_ reduced (GSH)" 0.9114 1.9301 0.5222 0.9256 0.6534 1.6819 0.6374 1.0308 1.1305 1.7824 1.0060 0.9112 1.6767 1.0298 0.8285 1.1836 1.0180 1.6398 0.5004 0.9971 0.7679 1.7033 1.5763 0.6443 0.9059 1.7954 0.9362 0.6972 1.0029 0.9040 glycerate 1.7407 0.2644 0.8409 0.4843 2.9378 3.4759 0.2143 1.6158 0.6547 0.5682 1.6074 0.5627 1.8737 2.4730 2.7312 1.1591 0.1910 0.1681 0.5510 0.4661 3.3554 3.1855 0.5558 0.4502 1.3073 0.7242 2.3961 1.9476 1.1861 0.2927 glycerol 1.2242 2.5665 1.8464 0.9564 1.0521 0.8095 0.8550 1.2979 1.2707 1.2966 0.3336 1.1217 1.0436 0.5815 1.6096 0.7598 0.8335 1.7039 1.3330 0.6577 0.9211 0.5445 1.2729 0.5661 0.5057 1.1365 0.5770 1.1425 0.7823 0.9040 glycerol 2-phosphate 0.4056 0.4056 0.4056 0.6744 0.4056 0.4056 0.4056 0.4056 3.0278 0.4056 0.4056 2.1278 1.1716 0.9270 1.6420 0.7078 0.4056 1.7345 1.2092 0.7115 0.4056 0.4056 0.4056 0.4056 0.4056 1.0000 0.4056 0.4056 0.6265 0.4056 glycerol 3-phosphate 4.0177 6.9740 0.7354 0.3805 2.3954 2.5773 0.9298 3.4657 5.9382 0.6969 0.6141 6.5969 0.6083 0.2355 3.9268 0.9066 1.6353 2.4426 0.5470 0.4477 1.9959 0.5282 0.6873 1.1825 1.0107 0.5790 0.1954 3.8965 0.9893 1.6385 glycerophosphoethanolamine 0.4935 1.8220 0.1442 0.0211 0.5343 1.1931 0.0345 0.5674 2.9668 1.1035 1.0838 2.4094 3.1291 1.1032 3.0168 0.7904 0.9583 1.4559 0.1454 0.0270 0.6485 1.1289 1.0453 0.0235 0.8657 2.6668 1.0417 2.3083 0.6631 0.7768 glycerophosphoglycerol 0.9799 0.3702 2.7968 0.4043 0.7351 0.7640 0.6191 0.8450 3.6104 1.0201 1.1383 2.8606 0.9553 1.9426 3.6474 0.3842 1.0273 0.1930 2.2487 0.5437 1.1181 0.6824 0.8502 0.8839 1.2652 1.3914 1.9580 3.3767 0.3154 1.2104 glycerophosphoinositol* 2.1747 2.2129 5.7700 0.4806 0.7139 0.5730 0.7300 1.9454 2.4231 0.5250 0.4039 2.4781 1.4318 1.0704 1.9927 0.3427 0.8451 1.2144 4.1813 0.6401 1.1283 0.4645 0.3490 0.8974 0.5346 1.6664 1.0813 2.0407 0.2716 0.9296 glycerophosphorylcholine (GPC) 0.1580 2.0288 0.0502 0.0493 0.9461 1.1545 0.0401 0.2290 2.0475 1.9302 0.9747 1.5979 2.3953 1.0253 2.5691 0.5336 0.8317 1.7911 0.0564 0.0587 1.1491 1.1834 1.6416 0.0341 0.7243 1.8586 1.0300 1.8614 0.4355 0.6674 glycerophosphoserine* 1.1877 2.1530 2.3697 0.5053 0.4802 0.9478 0.5535 1.1648 1.1413 0.5645 1.0181 1.0106 1.6263 1.9468 1.7908 0.6530 0.9652 1.8993 2.5195 0.5360 0.3971 0.9894 0.4910 0.5651 0.9434 1.5454 2.0658 1.6304 0.6567 0.8312 glycine 1.1794 1.5720 1.9084 0.6595 0.9740 1.6329 0.6719 1.1728 1.5001 0.6380 0.8276 1.2354 0.5010 1.9031 1.6612 0.6190 1.0260 1.3498 1.8420 0.6948 0.9646 1.5725 0.6122 0.5161 0.8356 0.4531 1.7109 1.4656 0.5714 0.9734 glycochenodeoxycholate 0.5573 0.5573 0.5573 0.5573 0.5573 1.1771 1.0000 0.5573 0.5573 0.5573 0.5573 0.5573 0.5573 0.5573 0.5573 0.5573 0.5573 0.5573 0.5573 0.5573 0.5573 0.9449 0.5573 1.5188 0.5573 0.5573 0.5573 0.5573 0.5573 0.5573 glycocholate 0.9622 0.9622 1.0378 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 0.9622 "glycosyl ceramide (d16:1/24:1_ d18:1/22:1)*" 0.0094 0.8316 4.0968 1.7526 0.4435 0.8557 3.0547 0.0082 0.1610 2.6081 0.7674 0.1262 0.1642 4.6833 1.0802 1.1065 6.8848 0.8011 4.5408 2.0092 0.4249 0.9198 2.2861 2.4761 0.4650 0.2367 4.3543 0.8781 1.2458 5.5258 "glycosyl ceramide (d18:1/20:0_ d16:1/22:0)*" 0.0813 0.6847 1.8900 0.7792 1.3101 0.2155 1.2485 0.0986 0.3782 0.5399 1.0254 0.2941 0.0872 5.0830 3.6666 0.9994 4.5108 1.0006 1.9997 0.9158 1.4512 0.2142 0.4891 1.0116 0.7084 0.0839 5.2067 3.5214 1.0434 3.5535 "glycosyl ceramide (d18:1/23:1_ d17:1/24:1)*" 0.1719 0.2854 3.7997 1.6721 0.5717 0.4268 1.9303 0.1719 0.1719 1.9039 0.9891 0.1758 0.2340 1.4109 1.0282 0.7865 2.0558 0.4136 3.9582 1.7830 0.5655 0.4877 1.6031 1.6631 0.7759 0.2778 1.3773 1.0109 0.6880 1.7414 glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1/24:1(2OH))* 0.0646 7.2734 0.1631 0.0646 1.0637 1.9074 0.0646 0.0646 0.0646 1.0805 0.1065 0.0646 0.0646 0.5128 0.0646 0.0646 1.3195 13.0884 0.2250 0.0646 1.2894 1.9639 1.0000 0.0646 0.0673 0.0646 0.0646 0.0646 0.0787 0.9899 glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)* 0.0652 0.5950 3.0371 2.4503 0.6057 0.4821 1.0409 0.0998 0.9286 0.5717 1.2694 0.7602 0.4249 1.1288 6.5257 1.9190 1.8842 0.6538 3.0293 2.5709 0.6618 0.4880 0.5385 0.9735 1.0265 0.4545 1.1032 6.1084 1.5633 2.0158 glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)* 0.0549 0.2837 2.2824 1.3861 0.9916 0.4934 1.3755 0.0610 0.0149 1.4334 1.0467 0.0095 0.1611 1.4982 0.0095 0.7117 1.4326 0.3461 2.3522 1.4955 1.0084 0.4953 1.2656 1.2356 0.6936 0.2018 1.4834 0.0095 0.6753 1.1917 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) 0.2662 0.5552 2.0287 1.8839 0.7377 0.4086 1.2505 0.4602 0.4046 1.2379 1.6447 0.3635 0.7084 2.7956 4.0403 0.7521 1.4069 0.7640 2.0342 2.4186 0.5656 0.4083 0.9476 1.2696 1.3614 0.9264 2.7432 3.4022 0.6452 1.0524 glycosyl-N-stearoyl-sphinganine (d18:0/18:0)* 1.0529 0.3680 0.4763 0.7078 1.6149 0.4615 3.3946 0.9471 0.3680 3.8742 0.7745 0.3680 0.3680 9.6203 2.3600 0.4654 6.8206 0.5217 0.3731 0.9101 1.5942 0.4204 3.1690 1.1386 0.5743 0.3680 9.8778 2.3828 0.5634 5.7810 glycosyl-N-stearoyl-sphingosine (d18:1/18:0) 0.2427 0.4187 1.8635 2.2473 1.1045 0.3272 1.3389 0.2763 1.1663 0.4450 0.8993 0.9719 0.4738 3.7696 2.4578 1.0281 3.2313 0.4946 1.8401 2.4551 1.0991 0.3292 0.4241 0.8597 0.8647 0.5492 3.9160 2.2301 0.9423 2.6429 glycosyl-N-tetracosadienoyl-sphingosine (d18:1/24:2)* 0.0334 0.2405 2.6320 4.5130 0.4788 0.8667 1.4359 0.0395 0.3148 1.3195 1.2240 0.2250 0.4009 1.1672 1.4659 0.8761 1.4311 0.2244 2.7357 4.7561 0.5125 0.9145 1.2469 1.3027 0.8537 0.4405 1.0855 1.3604 0.7738 1.2574 glycylisoleucine 0.3731 0.3731 0.3731 0.3731 0.3731 1.4731 0.3731 0.3731 0.5186 0.9809 1.0191 0.3731 2.0195 1.2946 0.3731 2.0840 0.5358 0.6811 0.3731 0.3731 0.3731 2.0241 0.9061 0.5368 0.6486 1.2388 1.2545 0.3731 1.6309 0.5465 glycylleucine 0.2681 0.9180 0.2681 0.2681 0.2681 1.1698 0.9105 0.2681 0.3966 1.1567 0.5456 0.2681 0.5342 2.1235 0.2681 0.8156 1.2677 1.9152 0.2681 0.2681 0.2720 1.2277 1.0717 1.5453 0.3223 0.3946 1.7855 0.2681 1.0000 1.1676 glycylvaline 0.4528 0.5912 0.4528 0.4528 0.4528 1.7561 0.5107 0.4528 0.4540 1.3641 0.7721 0.4528 1.2263 1.3972 0.4528 1.0625 0.6761 0.8359 0.4528 0.4528 0.4528 1.6716 1.1421 0.6362 0.4528 1.0000 1.2373 0.4528 1.1072 0.7604 guanidinoacetate 0.6800 65.3064 0.1037 0.8854 0.1037 19.4420 0.4236 0.7346 0.1900 0.1818 2.8207 0.1037 0.1037 13.2917 66.2712 1.2375 0.2523 66.7777 0.1037 0.9146 0.1037 20.1737 0.1940 0.2185 3.5611 0.1037 10.8985 50.5263 1.0854 0.2019 guanine 12.1432 12.6453 13.8551 0.6222 0.0966 1.0645 39.2206 12.1148 12.7429 0.0615 10.7080 14.0950 2.0820 0.1531 0.1156 0.0849 0.1211 9.5787 9.2147 0.8434 0.1788 0.9355 0.0979 50.1411 11.4846 5.6370 0.2456 0.1209 0.0876 0.1052 guanosine 2.3903 1.8808 0.3027 1.0613 1.8873 2.0845 2.4645 2.0987 0.9450 0.2619 2.4378 0.8557 0.2524 0.8114 1.0550 0.1679 0.6075 1.3246 0.1621 0.9082 2.9978 1.4395 0.3862 7.9215 3.9163 0.7266 0.9326 1.5049 0.2205 0.5755 guanosine 3^-monophosphate (3^-GMP) 1.7990 0.4926 0.2853 0.2853 0.2853 1.4169 0.2853 0.9479 0.2853 0.2853 1.0521 0.6537 0.2853 0.3184 0.2853 6.0176 1.7485 0.2853 0.2853 0.2853 0.2853 0.4380 0.3503 0.2853 1.6604 0.2853 0.8734 0.2853 11.6373 2.1699 guanosine 5^- diphosphate (GDP) 3.0521 0.9977 3.0172 0.6357 0.3659 0.2333 0.2569 2.5962 1.0197 1.9561 0.2333 1.0445 1.0150 0.2333 1.2938 1.1383 0.2945 0.8473 2.2579 0.5914 0.7740 0.2969 1.8349 0.2333 0.2333 0.9118 0.2333 1.0023 0.8296 0.2333 guanosine 5^-diphospho-fucose 1.1890 3.2570 1.6647 0.7093 0.7437 0.7994 0.7135 1.0400 1.6381 0.9910 1.0303 1.3543 1.0238 1.0090 1.0996 0.9419 0.8637 2.4774 1.5976 0.8154 0.9486 0.8032 0.7498 0.7548 1.0497 1.1585 1.0347 0.9157 0.6935 0.7006 guanosine 5^- monophosphate (5^-GMP) 1.0600 2.3052 0.4151 1.1904 0.1597 0.4314 1.0137 1.3053 2.0205 0.6915 0.8678 1.6234 0.7710 1.3014 1.2144 0.8727 1.8661 2.1326 0.2409 1.3059 0.3293 0.5406 0.9863 0.0566 0.8677 1.3474 1.2127 0.8977 0.8765 1.4713 gulonate* 3.6571 1.0678 0.9885 0.3709 1.3062 2.4062 0.4995 3.1309 0.6537 2.9971 1.1983 0.5207 0.1817 2.2539 0.8914 0.8660 4.7240 0.6241 0.8395 0.6499 2.0849 2.0541 2.3012 0.3884 1.0115 0.1468 2.2737 0.8428 0.6509 4.5933 HEPES 0.6853 2566.1846 0.1020 0.1020 0.1020 0.1020 1094.8687 0.1020 0.1020 0.1020 0.1020 0.1020 0.1020 0.9894 0.1020 0.1020 0.1020 2190.3057 0.1268 0.1020 0.1020 0.1020 0.1020 1299.6086 0.1020 0.1020 1.0000 0.1020 0.1020 0.1020 hexadecanedioate 1.5381 1.5379 1.5979 1.0000 37.6679 0.9330 0.3425 1.6128 3.8810 0.7250 0.3425 3.9316 0.5346 0.4664 0.6658 0.4808 1.1863 0.3425 1.4512 0.9189 18.1348 0.8776 1.0810 0.4564 0.3425 0.8283 0.3998 0.3425 0.3425 1.2296 hexanoylcarnitine (C6) 0.6853 0.7553 0.1620 1.8630 3.9088 0.3527 1.3045 0.6707 2.0836 0.2469 1.9150 1.6976 0.1185 1.0491 9.3803 1.1640 0.2768 0.5036 0.1185 1.5062 3.7727 0.3487 0.1972 2.3439 1.6990 0.1185 0.9509 4.4178 0.9338 0.2275 hippurate 1.7826 1.3004 1.7114 1.7980 0.9596 0.9552 0.7003 1.6822 0.7500 0.5685 0.6662 0.5356 1.0133 2.2216 0.7048 1.4473 4.1814 1.1282 1.8546 1.8433 0.9758 0.9867 0.5586 0.5548 0.6021 0.7600 1.9223 0.5336 1.1290 3.6608 histidine 1.1209 0.9974 0.8979 0.6290 1.1156 1.4227 0.7232 0.9840 0.8136 1.3589 1.0026 0.7980 0.9840 1.1067 1.9541 0.5522 1.4908 0.8350 0.8983 0.6414 1.0727 1.2823 1.2325 0.6800 0.9062 1.7099 1.2810 1.7085 0.5674 1.4174 histidine methyl ester 0.9035 0.8852 0.9504 1.0753 0.4964 1.0120 1.2957 0.9880 1.6581 1.3128 0.9361 1.0597 1.4816 0.7186 0.5707 2.0618 0.9381 0.8358 1.1766 1.3090 0.6977 1.1938 1.2577 1.0412 0.7268 1.4973 0.6433 0.5874 1.8213 0.7939 homoarginine 1.1221 0.3668 0.9997 0.9966 1.3980 0.8449 0.7277 1.3851 1.5250 1.2530 0.5529 0.9244 0.7701 1.1304 3.4382 0.7124 1.7048 0.6169 1.0003 1.1806 1.1678 0.8346 1.1906 0.3554 0.3611 0.6376 1.0026 2.8507 0.4822 1.4706 homocitrulline 1.0433 2.0147 1.1155 0.8743 1.1435 0.8675 0.6622 1.1683 0.7203 1.0868 0.7962 0.4805 1.9930 0.6646 1.0818 0.7144 2.0836 1.7656 1.0820 0.9579 1.2832 0.8873 1.0421 0.4470 0.7300 1.7629 0.6545 0.6954 0.6122 1.6568 homocysteine 3.3970 1.8414 0.3301 0.7579 1.0537 1.1825 2.4099 2.1020 1.0000 1.0153 0.2750 0.9142 4.6138 0.4333 0.2750 2.3885 0.6431 2.2083 0.4238 0.5784 0.3699 0.7912 0.9327 3.1425 0.2750 5.6148 0.3101 0.2750 3.7751 0.6051 homostachydrine* 1.1732 0.9314 0.8387 0.2985 3.1943 1.0182 0.2985 1.5981 1.0303 0.6607 1.0425 1.9382 0.3700 1.3269 1.9203 0.2985 1.9779 0.9818 0.7485 0.5157 2.7614 1.2343 0.4959 0.9269 0.4860 0.2985 1.0192 0.7092 0.2985 0.3026 hypotaurine 1.0584 0.5457 4.8307 2.7050 4.2501 1.5045 1.1430 1.0934 0.6269 1.0049 0.3868 0.4991 3.6418 0.4965 0.9951 0.2982 0.2925 0.4228 4.7728 2.9138 4.5620 1.4464 0.8994 1.4834 0.5289 3.2626 0.4779 0.8499 0.2564 0.2663 hypoxanthine 1.6627 1.5546 0.3079 0.9401 2.4432 1.1975 1.1207 1.3458 0.9370 0.5569 0.5115 0.8395 0.1925 0.9850 1.3495 0.1943 1.0919 1.1760 0.2149 0.7888 2.1615 1.0444 0.6340 1.6872 0.5669 0.5456 1.0966 1.5524 0.2468 1.0150 imidazole lactate 1.7906 15.1931 50.0936 0.4621 2.7909 0.4184 0.2207 2.0593 2.2108 0.5230 0.2788 1.5420 1.2390 0.9773 0.3533 0.1922 15.2607 12.6569 48.8054 0.5027 2.9198 0.4270 0.5296 0.2275 0.3608 1.6211 1.0227 0.2447 0.2010 12.0027 imidazole propionate 1.6335 0.6759 8.5335 0.7045 3.3034 0.9965 1.5896 1.6904 1.9409 1.1512 0.8058 1.4212 0.6683 0.7987 0.3345 1.0055 5.1183 0.5392 8.5591 0.7719 3.4446 0.9735 1.0035 1.0919 0.8304 0.6134 0.7730 0.2659 0.9050 4.4155 indolelactate 1.0601 1.1567 18.7351 0.0881 1.0031 0.5729 0.6756 0.9764 0.2705 1.3313 0.5149 0.3100 1.0649 1.4620 0.3266 0.7445 4.9490 1.0666 19.9800 0.0895 0.9969 0.5530 1.7428 1.5426 0.6209 2.1244 1.4400 0.3641 0.7028 4.2380 inosine 1.5725 1.5768 0.0980 0.8311 1.0782 2.0082 1.2599 1.5804 0.9964 0.7776 1.0036 0.8967 0.1975 1.0657 1.4484 0.4294 0.6352 1.3001 0.0481 0.8434 1.5484 1.9695 0.9642 1.9046 1.4718 0.4045 1.4507 0.8690 0.4552 0.6360 inosine 5^-monophosphate (IMP) 1.9054 0.9996 1.6088 0.7621 0.2169 0.2029 1.9042 2.5446 1.6726 2.1588 0.7658 1.0652 0.3250 1.6576 2.6720 0.7413 1.0004 0.9707 1.5688 1.2252 0.4983 0.3083 1.8927 0.0550 0.5623 0.8496 1.3424 1.4021 0.6652 0.6859 inositol 1-phosphate (I1P) 0.4612 0.7920 0.7921 2.3576 2.2040 0.8912 0.7237 0.4685 1.5122 1.5732 0.8067 1.0548 0.1582 1.6364 2.7267 1.6905 1.2177 0.4737 0.8185 2.4824 2.8338 0.8523 1.4097 0.7294 0.6662 0.1702 1.5820 2.3158 1.5753 0.9452 "Isobar: fructose 1_6-diphosphate_ glucose 1_6-diphosphate_ myo-inositol 1_4 or 1_3-diphosphate" 1.9899 4.4589 5.2091 0.2759 1.2113 0.5878 0.2152 1.0596 0.4843 2.3302 21.4688 0.5410 1.8006 0.2431 2.7450 7.6218 0.3487 0.9549 2.1718 0.2791 0.7994 0.4413 1.0451 0.2380 52.0393 2.4429 0.1785 0.9002 6.6323 0.2482 isobutyrylcarnitine (C4) 2.1963 0.1143 0.6619 1.4770 1.0498 1.3737 0.0517 2.2254 1.5440 0.0337 0.7902 1.1698 0.0306 1.4262 1.6349 0.1428 1.0987 0.0865 0.7049 1.7163 0.9502 1.3753 0.0306 0.0581 0.8161 0.0306 1.2846 1.1239 0.1346 0.8949 isocitrate 0.7890 2.0211 1.8550 0.7748 0.7266 0.8283 1.3154 1.1962 1.0037 1.0010 0.6716 1.0678 0.5651 1.0843 1.5519 0.9591 1.4665 1.3874 2.7434 1.2172 0.9257 0.7456 0.7167 2.1983 0.4184 0.5322 0.8176 1.0540 0.4571 0.9990 isoleucine 0.7002 0.7869 0.9690 0.6681 1.1186 1.9344 0.5662 0.6591 0.5940 1.6137 1.3187 0.5187 1.4299 1.1840 1.0310 0.9392 1.0507 0.6103 0.9288 0.6633 1.2315 1.8874 1.4823 0.4740 1.2444 1.3353 1.1413 0.8362 0.8619 1.0500 isoleucylglycine 0.9208 0.7723 0.1139 0.0875 0.2657 2.0467 0.6432 0.9776 1.1653 1.8037 1.3066 0.7096 1.6901 2.8387 0.5559 1.8193 1.8928 0.9293 0.0549 0.1471 0.2266 1.8162 1.7714 1.0000 0.9542 1.3565 2.4852 0.0549 2.8633 1.4428 isopentenyl adenosine 0.1546 0.1546 0.1546 0.1546 1.9684 1.0000 0.1546 0.1546 0.1546 0.1546 0.9488 0.1546 0.1546 0.1546 0.1546 0.1546 7.5323 0.1546 0.1546 0.1546 1.2486 0.5002 0.1546 0.3641 1.1242 0.2923 0.1546 0.1546 0.1546 8.9090 isovaleryl/2-methylbutyryl CoA 1.6880 4.6422 0.4169 0.4484 0.4169 0.5300 0.4169 1.9967 0.7490 0.4169 0.4169 0.4169 0.4169 0.4169 1.4479 0.4169 1.1816 5.4018 0.4169 0.5483 0.4169 0.4962 0.4169 0.4169 0.4169 0.4169 0.4169 1.8222 0.4169 0.8184 isovalerylcarnitine (C5) 22.8716 23.0415 0.8432 5.2248 0.9445 5.5428 0.0372 22.5069 9.5337 0.0263 0.8341 7.0561 0.0038 0.2000 5.6913 0.1050 4.5264 17.9616 0.8808 5.6787 1.0555 5.3014 0.0219 0.0330 0.7458 0.0057 0.1784 4.1214 0.0865 3.9432 isovalerylglycine 0.6547 0.6547 0.8299 0.6547 1.0000 0.6547 2.1497 0.6547 0.6547 0.6547 0.6547 0.6547 1.1976 0.9629 0.6547 0.6547 3.0462 0.6547 2.9755 0.7769 0.6547 0.6547 0.6547 0.6547 0.6547 0.6547 0.6547 0.6547 0.6547 0.6547 kynurenate 0.1552 2.4958 0.1552 0.1552 0.1552 0.1606 0.1552 0.1552 0.1552 2.2242 0.1552 0.1552 0.1552 2.8515 0.1552 0.5306 0.9572 1.9003 0.1552 0.1552 0.1552 0.1552 2.4451 0.1552 0.2906 0.1552 3.0552 0.1552 0.4188 1.0000 kynurenine 1.1355 16.3577 0.7369 0.4717 0.7203 1.1680 0.7076 1.1713 0.8882 19.6854 3.9327 0.7871 1.0072 11.4128 0.7390 7.6498 1.0579 13.5701 0.7003 0.5071 0.7397 0.9928 22.3774 0.3752 5.1872 0.8698 14.4671 0.6021 7.7181 0.9526 lactate 0.8727 0.4438 2.4677 0.4898 0.7057 2.0275 0.9783 0.8281 0.6822 1.5780 2.0774 0.5274 2.1498 2.1070 0.3120 1.9180 1.0213 0.3446 1.9341 0.4126 0.6260 1.7593 1.5172 0.7456 1.8053 2.1099 2.2874 0.4839 1.8847 0.9787 lactose 1.1922 0.7959 0.4681 1.0881 0.6902 1.0941 1.2182 1.3824 2.1002 0.8597 0.8279 1.4156 0.7413 1.1553 1.1823 1.0005 2.0377 0.9995 0.7872 1.1235 0.4236 1.1265 0.8847 1.1455 0.7647 0.6929 0.8964 0.7514 0.8081 1.3074 lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* 0.3970 0.2066 5.8327 7.1613 0.4034 0.5624 2.8673 0.2814 0.4031 1.9133 0.9820 0.4065 1.6952 0.6488 2.1250 0.9007 5.9934 0.3116 6.1019 7.6352 0.3199 0.5100 1.9427 1.7513 0.9249 1.2700 0.9003 1.9684 1.0180 5.2842 lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) 0.6244 0.6486 3.3177 7.2187 0.2575 0.4366 1.9148 0.5284 0.2925 1.1859 0.7778 0.3118 2.5833 0.8534 4.1698 0.3259 3.0270 0.6566 3.3392 7.5629 0.2012 0.3663 1.1336 1.2192 1.0103 2.5146 0.9897 3.5367 0.3331 2.5998 lactosyl-N-stearoyl-sphingosine (d18:1/18:0)* 0.2984 0.2984 0.8446 4.7885 0.2984 0.2984 0.8736 0.2984 0.2984 0.2984 0.2984 0.2984 1.1011 0.2984 2.0790 0.2984 4.4853 0.2984 0.8989 5.2083 0.2984 0.2984 0.2984 0.3254 0.2984 0.8761 0.3480 2.0744 0.2984 3.8801 lanthionine 0.7173 0.2628 0.2628 0.2803 3.4096 2.6863 0.2628 0.8329 0.7616 2.6688 0.2628 0.5316 0.5228 3.1236 1.8881 0.6708 1.5689 0.2628 0.2628 0.3166 4.9604 2.9953 3.1583 0.2628 0.3594 0.6560 5.9101 1.3594 0.4241 1.1671 laurate (12:0) 1.7368 1.8015 1.1771 0.9900 1.0275 0.8430 0.8079 1.6730 2.3232 0.7408 0.4780 1.9800 0.4900 1.7025 1.7969 1.0100 2.7911 1.8591 0.8794 0.9771 0.7688 0.6489 0.6084 0.9584 0.4450 0.5996 1.9693 1.3162 0.9818 2.4457 laurylcarnitine (C12) 2.0259 0.1462 0.2009 2.2697 1.8255 1.1269 0.1363 2.1331 2.0624 0.1651 1.0404 1.3570 0.0104 1.2770 4.4411 1.0252 0.3188 0.1151 0.1893 2.5637 2.5020 1.6642 0.1001 0.8649 0.9530 0.0075 0.9748 2.0506 0.8824 0.1907 leucine 0.6418 1.0633 0.9334 0.6822 0.9746 1.9414 0.8897 0.5363 0.7533 1.7437 1.3535 0.6679 1.3811 1.3930 1.0254 0.8662 1.1718 0.7846 0.8967 0.6999 1.0648 1.9037 1.6740 0.6888 1.2848 1.3049 1.4328 0.7710 0.8569 1.2127 leucylalanine 0.2143 0.2143 0.2143 0.2143 0.2143 0.2143 0.2143 0.2143 0.2143 0.2143 0.3803 0.2143 1.0000 1.6876 0.2143 1.2219 0.5783 0.2143 0.2143 0.2143 0.2143 0.2143 0.2143 0.2143 0.2143 0.5977 1.3788 0.2143 1.7435 0.2143 leucylglutamine* 0.1465 0.5551 0.1465 0.1465 0.1465 1.7991 0.4613 0.1465 0.5179 1.0000 1.9969 0.1465 1.6401 2.7218 0.2765 6.3881 1.1800 0.5177 0.1465 0.1465 0.1465 1.2228 0.9091 0.5275 0.8656 1.1106 1.9275 0.1465 7.3275 0.8466 leucylglycine 0.2852 1.7309 0.1970 0.1229 0.1300 1.4543 0.3301 0.3277 0.6457 1.0543 0.9302 0.5813 1.1261 3.2973 0.4878 1.0053 2.5025 1.8976 0.1677 0.1229 0.1229 1.5263 1.1984 0.4692 0.5345 1.0000 3.0099 0.1229 1.0856 3.0376 lignoceroylcarnitine (C24)* 1.3331 0.3009 0.0886 0.7793 0.8378 14.3118 0.1785 1.4549 3.4759 0.1034 1.6171 2.7680 0.0886 1.0816 2.9130 1.1820 0.3477 0.2407 0.0886 0.8040 0.8364 14.3824 0.0886 0.3471 1.6173 0.0886 1.0306 2.5122 0.9694 0.3186 lignoceroyl ethanolamide (24:0)* 1.5204 0.3230 3.4619 0.3230 0.3230 0.4921 0.5099 0.9503 1.0497 0.8999 1.2738 1.5629 4.2372 0.3230 0.4719 0.3230 0.3230 0.3230 2.9474 0.3230 0.3230 0.4683 0.7175 0.6919 1.5358 4.9054 0.3230 0.3230 0.3230 0.3230 lignoceroyl sphingomyelin (d18:1/24:0) 3.4777 2.8761 0.2569 0.3779 2.1346 0.7683 0.9864 3.5499 1.7744 0.9918 0.9863 1.5264 1.8827 0.6148 0.5807 1.2662 0.9891 4.1970 0.3214 0.3834 2.4846 0.7902 1.0278 1.2473 0.6896 1.6823 0.7631 0.5768 1.3203 1.0082 linoleate (18:2n6) 0.9412 2.6026 0.1659 1.8380 0.9852 1.1783 2.7229 0.7717 1.7315 0.2031 0.3052 1.3001 0.1516 1.9325 1.0148 0.2284 1.5556 2.5764 0.1820 1.5483 0.4866 1.0177 0.2694 1.3016 0.5547 0.2980 2.4572 0.6247 0.2204 1.9654 linolenate [alpha or gamma; (18:3n3 or 6)] 0.8206 2.7194 0.2900 1.2653 0.8199 1.0365 3.2772 0.9635 3.4519 0.2655 0.3041 2.5604 0.2629 5.1398 2.1972 0.3512 4.4810 2.4827 0.3854 1.1374 0.3691 0.9617 0.4343 2.5482 0.4203 0.4590 7.6085 1.4589 0.3090 6.0070 linolenoylcarnitine (C18:3)* 0.3138 0.3138 0.5894 0.9837 0.8880 4.9499 0.3138 0.3138 0.3138 0.3138 1.4078 0.3138 0.3138 0.8434 0.3138 0.3138 0.3138 0.3138 0.5240 1.4366 1.4286 7.6262 0.3138 2.8598 1.0163 0.3138 0.5613 0.3138 0.3138 0.3138 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]* 0.3076 0.9858 0.3076 0.8836 0.8028 1.1887 1.3396 1.8569 1.9860 1.9394 1.3491 1.9671 0.6671 7.2335 0.9389 0.6317 3.4131 0.7832 0.4769 1.2179 1.0000 0.7460 1.4542 1.1398 0.5203 0.8548 7.8313 0.7432 0.7462 3.0646 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* 0.3391 1.7557 0.3741 0.9812 2.3170 0.5881 2.1896 0.8436 1.4151 0.4890 1.1384 1.0818 0.6033 6.0767 1.0000 0.3739 1.9318 1.9693 0.4424 1.1703 1.9348 0.5663 0.6243 0.8463 0.7124 1.0992 6.3076 0.8126 0.3391 3.8295 linoleoylcarnitine (C18:2)* 1.8826 0.4152 1.0135 2.8977 2.5942 22.5525 0.8191 1.8903 0.8017 0.2896 1.4237 0.4207 0.1711 2.3165 0.9865 0.6245 0.3020 0.3475 1.2773 4.4678 5.6612 31.0322 0.1711 4.3020 0.6872 0.1711 1.4387 0.5515 0.3930 0.2493 linoleoylcholine* 0.2517 2.8873 0.2517 0.3628 0.6225 2.0954 0.2517 0.2517 0.7164 0.2517 0.2517 0.4348 0.2517 6.7498 2.5385 0.2517 0.8355 2.9966 0.2517 0.5685 1.0000 2.0610 0.2517 0.2517 0.2517 0.2517 6.1016 2.1997 0.2517 0.5718 linoleoyl ethanolamide 0.3815 0.3815 1.3611 1.0000 1.0605 1.0051 1.5006 0.3815 6.7947 0.4799 0.5510 4.7588 2.6481 0.4855 0.4813 0.5783 0.8593 2.2337 1.4008 0.6583 0.5989 0.8894 1.2803 1.6101 0.6454 3.2866 0.7453 0.3815 0.4528 1.0735 lysine 1.0729 1.4067 1.0002 0.6339 0.9179 1.3903 0.9739 0.9998 1.3976 1.9727 0.8618 1.2637 0.5013 1.7714 1.2032 0.5468 1.4490 1.0338 0.9444 0.6298 0.8309 1.2241 2.0054 0.7733 0.7877 0.7822 1.8798 0.9717 0.6254 1.4342 malate 1.1816 0.6209 0.2965 0.8561 2.2059 0.6139 0.8466 1.8777 1.3499 1.4725 1.0438 0.9562 2.0020 0.8385 1.6393 2.6987 2.3334 1.9637 0.7942 0.9478 0.4511 0.6897 2.2746 1.0604 0.7513 1.8210 0.5141 0.8195 2.4031 0.7942 maleate 0.8945 0.6085 0.3645 0.5635 0.6893 1.3083 0.6815 0.8165 1.2521 1.6047 1.6148 1.0191 1.5530 1.5451 0.4742 4.5480 1.0477 0.7595 0.3602 0.6714 0.6816 1.4018 1.7937 0.9809 1.4035 1.5459 1.8285 0.6633 4.6355 0.6476 malonate 2.0378 1.4686 0.9168 0.7475 1.0688 0.5974 1.0639 2.0021 1.4470 0.9977 0.5364 1.2779 0.8921 0.7616 1.4938 1.5764 1.0355 1.8592 1.0023 0.8699 1.1104 0.5492 1.1600 0.9563 0.6568 0.9001 0.9039 0.0426 1.1684 0.9149 malonylcarnitine 3.9926 1.0000 0.3366 2.2644 0.4625 0.8850 0.3366 4.6060 0.8323 0.3366 1.2591 0.3366 1.1320 0.8021 2.9972 0.3366 0.3366 0.3366 0.4288 2.6183 0.3954 0.8781 0.3366 0.8048 1.2385 1.0503 0.7143 2.0748 0.3366 0.3366 maltopentaose 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 1.4396 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 0.5604 maltose 1.0346 0.2063 0.3282 0.2063 0.2063 0.2063 0.2063 0.6511 0.2063 1.2100 0.9436 2.6168 0.2063 1.1419 1.6126 0.5568 14.5257 0.2063 0.2063 0.2063 0.9422 0.3251 1.1899 0.2063 0.4986 0.2063 1.0000 1.8713 0.5192 14.9344 maltotetraose 1.0000 0.2174 0.2174 0.2174 0.2174 0.2174 0.2174 0.4368 0.2174 0.2174 0.2174 0.2174 0.2174 0.4828 1.3130 0.2174 17.8343 0.2174 0.2174 0.2174 0.2174 0.2174 0.2174 0.2174 0.2174 0.2174 0.4942 1.2997 0.2174 11.5241 maltotriose 1.8433 0.3767 0.3767 0.3767 0.3767 0.3767 0.3767 1.0000 0.3767 0.3767 0.7144 0.8609 0.4518 0.8243 2.5234 0.3767 34.9701 0.3767 0.3767 0.3767 0.3767 0.3767 0.3767 0.3767 0.5743 0.3767 1.1929 3.2224 0.3767 27.9825 mannitol/sorbitol 0.9800 0.1702 1.1670 1.3626 0.8595 0.6179 0.3088 0.9378 7.4215 1.7097 1.6398 6.2674 0.3383 1.1175 0.1488 1.2309 0.2668 0.1403 1.1615 1.5975 1.0395 0.5749 1.5743 0.2140 1.5174 0.2144 1.1541 0.1279 1.0200 0.2340 mannose 0.2978 0.2978 0.2978 0.2978 0.2978 1.0331 0.2978 0.2978 2.6869 0.2978 0.4118 2.5657 0.2978 0.2978 0.2978 0.9669 0.2978 0.2978 0.2978 0.2978 0.2978 0.2978 0.2978 0.2978 8.8003 0.2978 0.2978 0.2978 0.7289 0.2978 mannose-6-phosphate 0.7462 1.5164 1.9537 0.0370 0.9132 5.6667 0.0370 0.2399 0.2021 2.8050 11.3546 0.0370 4.6944 1.3296 0.8258 30.8684 0.2427 0.4086 0.4411 0.0567 0.1455 2.8670 2.9530 0.1887 18.6118 7.7912 1.0000 0.0370 24.3399 0.1777 margarate (17:0) 1.6008 1.6893 0.7179 2.0760 1.5490 0.9524 2.0028 1.4475 2.1757 0.7935 0.9031 1.6609 0.7332 0.6374 1.7785 0.6535 0.7261 2.2347 0.8168 1.9160 0.9383 0.8404 0.7421 1.5798 1.0476 1.1074 0.6302 1.3625 0.5533 0.6435 margaroylcarnitine* 2.4021 0.3549 0.1771 2.3033 1.0580 8.4279 0.6477 2.9850 3.7223 0.2786 1.7099 2.0973 0.0229 0.4489 3.3679 0.9420 0.2692 0.3455 0.1487 2.9689 1.6209 9.2999 0.1656 1.0897 1.1344 0.0171 0.3250 1.3980 0.7069 0.1677 mead acid (20:3n9) 0.6121 3.1507 0.0160 2.2736 1.2273 8.9120 1.1496 0.5134 0.4899 3.4836 0.8504 0.4274 0.0533 10.4759 0.7890 0.2518 4.8421 3.7190 0.0267 2.2762 0.6675 7.2050 3.4521 1.7134 0.7509 0.1632 11.2357 0.6435 0.2750 5.8987 methionine 0.9748 1.0161 0.9839 0.5920 0.9333 1.7221 0.7101 0.9109 0.8559 1.6705 1.2955 0.7266 1.0943 1.4516 1.4144 0.6884 1.2972 0.7140 0.9284 0.6018 0.9152 1.6680 1.6062 0.5881 1.2396 1.2240 1.5115 1.1282 0.7464 1.3483 methionine sulfone 1.2149 1.2782 1.3349 1.0416 0.8097 0.6420 0.4007 1.2611 0.7523 1.1059 0.6110 0.5494 1.8952 0.5691 1.7221 0.7000 1.4685 1.1809 1.2888 1.2425 0.9584 0.7019 0.9520 0.1499 0.5480 1.7404 0.5144 1.3980 0.5726 1.2709 methionine sulfoxide 2.3862 2.1214 7.9492 0.9006 1.3126 0.6786 0.6032 2.0938 1.2843 0.3477 0.5735 1.0466 0.9750 0.3526 1.6247 1.0250 3.2742 1.8078 7.8184 0.9348 1.5951 0.6243 0.3623 0.3725 0.5326 0.8107 0.3597 1.2860 0.9057 3.0813 methyl glucopyranoside (alpha + beta) 0.2497 0.4131 0.8716 1.1684 0.2481 2.6061 1.4310 0.2946 0.2383 1.1499 2.7560 0.2383 0.4782 3.0744 0.6205 2.1101 1.1269 0.2383 0.8731 1.2138 0.2654 2.1073 0.7838 1.1369 2.6662 0.4671 2.7993 0.4508 3.2647 0.8404 methylmalonate (MMA) 0.2258 2.0519 1.3415 0.2258 0.5393 0.8144 0.5348 0.2258 1.3836 1.3311 1.0097 1.1181 2.6259 0.5108 2.1062 2.8790 0.7310 1.7896 0.9387 0.2680 0.5388 0.9903 1.4767 0.9394 0.9560 2.8647 0.6536 1.0919 4.1639 0.5814 methylphosphate 2.7031 1.1802 1.4257 0.5046 1.6309 0.7241 0.4598 2.1334 1.1250 0.9727 1.3052 0.9163 1.0273 1.9308 0.6999 0.9490 1.0785 0.3067 1.2949 0.8118 2.3966 0.8715 0.7886 0.6599 1.3779 0.7630 1.5214 0.5491 1.0699 0.4427 methylsuccinate 1.0823 1.1949 2.3121 0.8582 1.2954 0.2912 1.9997 0.7629 0.8417 0.3246 0.3641 0.7138 1.0673 1.2394 1.1812 0.8523 3.7460 1.0735 2.2741 0.9327 1.4343 0.3934 0.2800 2.1613 0.4757 0.7937 1.1139 0.8349 0.6643 3.0995 myo-inositol 2.0608 0.7141 0.9553 0.1683 2.5041 0.0587 0.1684 2.1855 1.1198 1.0447 1.3858 0.8821 0.1155 2.4109 4.6226 0.6813 3.3435 0.6654 1.2354 0.2041 2.4872 0.0603 0.9291 0.2244 1.4430 0.0946 2.0827 3.8059 0.5649 2.7449 myristate (14:0) 1.3440 1.4618 0.6765 1.1512 0.8134 1.0407 0.8779 1.5393 3.0641 0.4400 0.2982 2.5382 0.4222 1.2099 1.4700 0.8311 1.8174 1.4903 0.7713 1.0493 0.5110 0.9184 0.4385 0.9593 0.3982 0.5726 1.4565 1.4250 0.7161 2.0721 myristoleate (14:1n5) 0.7644 1.9411 0.5537 2.2903 1.1781 0.6060 1.2155 0.8219 2.2628 0.4563 0.2619 2.0665 0.0524 2.0981 1.7748 0.5684 8.0616 2.3445 0.3900 2.2561 0.6691 0.5243 0.3052 2.0367 0.2162 0.1175 2.3368 1.3169 0.5958 5.3616 myristoleoylcarnitine (C14:1)* 1.2163 0.4350 0.4503 3.7028 2.1635 1.4327 0.3744 1.2955 0.7837 0.2170 1.9220 0.4906 0.1079 2.1480 1.7405 0.5559 0.3997 0.3545 0.4503 5.0082 3.4085 2.2697 0.1079 2.4650 1.2600 0.1079 1.4077 0.6213 0.4778 0.2876 myristoylcarnitine (C14) 2.9065 0.2270 0.1786 1.8746 0.8796 4.2530 0.1633 3.1933 3.1107 0.1894 1.2619 1.9475 0.1021 0.5894 2.5690 1.9070 0.3587 0.1771 0.1694 2.2751 1.5954 5.6424 0.1021 0.6903 0.8984 0.1021 0.4647 1.1016 1.2289 0.3131 myristoyl dihydrosphingomyelin (d18:0/14:0)* 0.5994 1.1156 0.2134 0.4189 1.1844 1.1489 1.6199 0.6243 0.0520 3.0029 0.6542 0.0536 0.2921 2.2470 1.1146 0.4930 4.8624 1.0736 0.2080 0.4827 1.2048 1.1156 2.5756 1.1050 0.5202 0.2820 2.1434 0.9264 0.4362 4.2010 N(1)-acetylspermine 0.0887 0.0887 1.0604 0.0887 2.5286 0.0887 0.0887 0.0887 0.0887 0.0887 0.0887 0.0887 0.0887 0.0887 0.0887 0.0887 0.0887 0.0887 0.9396 0.0887 2.4371 0.0887 0.0887 0.0887 0.0887 0.1752 0.0887 0.0887 0.0887 0.0887 N1-methyladenosine 0.2780 3.4316 1.1889 0.0802 1.2274 1.0000 1.0032 0.0802 0.2016 0.0802 1.1744 0.5122 0.5371 2.3067 0.0802 0.1919 1.4996 2.6498 0.4933 0.0802 0.0802 0.6796 0.8291 0.3092 2.6340 0.6610 2.6775 0.0802 0.0802 1.3772 N1-methylinosine 0.5278 0.8630 3.6421 2.4191 1.0668 0.9254 1.4006 0.5806 1.1157 1.2620 0.6124 0.8173 1.2114 0.7214 0.3214 0.3983 1.2326 0.8309 2.8101 2.1752 0.6593 0.9332 1.7225 1.7456 0.9315 1.3522 1.3401 0.5091 0.3647 1.3213 "N1_N12-diacetylspermine" 0.1963 0.1963 1.9819 0.1963 12.7462 0.1963 0.1963 0.1963 0.1963 0.1963 0.1963 0.1963 0.2304 0.3088 0.1963 0.1963 0.1963 0.1963 1.6912 0.1963 12.7153 0.1963 0.1963 0.1963 0.1963 0.2566 0.1963 0.1963 0.1963 0.1963 N2-methylguanosine 2.6681 1.9788 1.5483 0.3871 1.3170 1.9540 0.8740 1.2478 0.8329 0.4883 2.9288 1.3859 0.3719 0.9746 0.3880 0.6355 0.9613 1.0000 1.0768 0.2350 0.5575 0.7466 1.1876 0.5901 5.8719 0.5266 2.0494 0.2350 1.1269 1.8423 "N2_N2-dimethylguanosine" 1.3040 1.7023 1.6224 0.5368 0.9937 2.2180 1.3750 0.7208 1.1265 0.7792 1.8937 1.8906 0.5940 1.1184 0.2063 0.5079 0.7630 0.7656 1.0000 0.2443 0.2545 1.0071 2.1955 0.4252 3.8426 0.7888 2.1210 0.2063 0.8080 1.4371 N(4)-acetylspermidine 0.2896 1.5921 5.4372 3.2453 20.6855 0.2649 0.7898 0.1856 7.5157 2.9756 0.4667 6.0448 1.2789 0.3840 0.3188 0.9772 1.0512 0.7767 2.7829 3.3805 10.5654 0.2755 3.0218 0.5836 0.4739 1.6493 0.3510 0.2740 1.0228 0.9292 N6-acetyllysine 1.0865 1.0874 0.8508 0.7843 0.6832 1.0515 1.2839 0.6505 1.3778 2.9904 0.8890 1.2032 0.9115 4.2259 0.8505 0.6652 1.6561 0.8241 0.6369 1.1869 0.5657 0.8286 3.1157 1.2417 1.0290 0.9710 5.2127 0.3008 0.7342 1.6518 N6-carbamoylthreonyladenosine 1.7803 3.3280 1.0524 0.5128 1.0079 2.2333 0.7992 1.2450 0.8526 0.9475 2.1169 0.6470 0.8911 2.3276 0.5914 0.9039 3.1851 2.5416 0.8093 0.4242 0.5367 1.4984 0.9921 0.9291 3.3605 1.0882 2.4298 0.5445 0.9789 2.3847 N6-methyladenosine 0.1432 0.1432 0.1432 0.1432 1.9551 1.5882 0.5409 0.1432 0.1432 0.1432 0.4633 0.1432 0.1432 0.3822 0.1432 0.1432 8.2553 0.1432 0.1432 0.1432 1.6460 1.0160 0.3925 2.1736 1.0000 0.1432 0.6411 0.5485 0.1432 7.3668 "N6_N6-dimethyladenosine" 0.3869 0.3869 0.3869 0.5799 0.9284 1.1958 1.0296 0.3869 0.3869 0.3869 0.3869 0.3869 0.3869 0.4448 0.3869 0.3869 134.8996 0.3869 0.3869 0.3869 0.6018 0.9704 0.3869 1.6737 0.3869 0.3869 1.1046 0.3869 0.3869 142.4742 "N6_N6_N6-trimethyllysine" 0.9959 1.1037 1.2310 1.0423 1.1386 1.1439 0.5845 0.9903 2.0482 0.8706 0.3818 1.6033 0.5362 1.4039 0.9146 0.4561 1.7043 0.8130 1.1420 1.0041 1.1028 1.0919 0.8897 0.5535 0.3782 0.6605 1.5339 0.8016 0.4298 1.6072 N6-succinyladenosine 2.4262 0.6167 0.3178 0.3871 1.3420 1.0876 0.4847 2.5025 1.5875 0.5565 1.6071 1.1230 0.3522 3.2052 2.2209 1.3105 0.9066 0.5372 0.3178 0.3178 1.1689 0.7373 0.6129 0.5184 1.4597 0.7439 3.7455 0.9124 1.6811 0.7948 N-acetylalanine 2.4781 1.5040 0.8556 0.8013 1.1284 1.1420 0.9404 1.7221 1.3288 0.6811 0.6262 0.9791 1.3238 1.7395 0.7937 1.2919 2.4109 1.0209 0.8403 0.7195 0.9131 0.8078 0.7040 0.9524 0.7246 1.3212 1.8013 0.5314 1.2058 1.7887 N-acetylarginine 0.9795 1.0425 1.0788 2.5477 1.1912 1.1345 0.7415 1.3662 0.7438 0.4414 0.1509 0.4978 0.5331 0.3364 4.8864 0.3919 1.7399 0.7316 1.0520 2.8217 1.3396 1.1748 0.4051 1.0205 0.0829 0.6081 0.3008 4.0485 0.4057 1.2855 N-acetylasparagine 0.8449 0.6133 1.7852 0.1661 3.4112 1.8087 0.1350 0.9149 1.0613 0.1043 0.2617 0.9683 1.5694 1.2648 2.7351 0.1721 1.6148 0.5833 1.6251 0.1652 3.1344 1.4672 0.1095 0.1369 0.3109 1.3670 1.0317 2.5143 0.1569 1.4165 N-acetylaspartate (NAA) 1.2926 0.1103 1.0275 0.5857 0.6108 1.3091 1.1690 1.2839 1.2520 1.2291 0.8075 1.0899 0.9032 0.7341 3.3871 0.2542 1.5405 0.0776 0.9453 0.7100 0.7325 1.2357 1.0719 1.1379 0.8325 0.9725 0.7036 2.8467 0.2003 1.2775 N-acetyl-aspartyl-glutamate (NAAG) 1.1809 0.0236 5.0920 0.6145 0.1477 10.1902 1.3445 0.9916 1.6275 2.4584 0.7970 1.3672 0.7076 0.3972 1.1870 0.2508 1.8583 0.0244 4.7631 0.6751 0.1536 9.8464 2.2164 1.4213 0.8813 0.9444 0.3969 1.0084 0.2018 1.4458 N-acetyl-cadaverine 0.2746 0.2746 1.8239 0.2746 0.2746 0.2746 1.3201 0.2746 0.2746 1.1282 1.1677 0.2746 1.0984 0.2746 1.2340 0.4637 0.2746 0.2746 1.7699 0.2746 0.2746 0.4412 1.1888 0.3407 0.9016 0.7124 0.3469 0.2746 0.3340 0.2746 N-acetylcysteine 1.8948 6.4507 0.6079 0.3755 0.7200 10.8580 0.8432 1.7592 0.6669 0.7405 1.1256 0.3575 7.4386 4.6669 1.6022 0.5058 2.2530 5.2794 0.8041 0.5051 0.5193 10.1901 0.7893 1.3819 0.8744 7.6429 4.8005 0.8648 0.3266 1.2551 N-acetyl-glucosamine 1-phosphate 0.7149 0.9706 24.5205 0.3651 17.8269 3.1599 1.3076 0.6410 0.4006 0.3300 2.3061 0.3213 0.3438 1.9259 1.0294 0.6167 1.2426 0.7937 24.0885 0.4533 8.8858 2.9480 0.2608 1.7800 2.4183 0.2378 1.9145 0.8290 0.5210 1.0450 N-acetylglucosamine 6-phosphate 0.6352 1.7686 0.4273 0.9192 34.8242 1.2997 0.9972 0.6087 1.0807 0.7576 5.2347 0.9480 1.0028 1.7372 0.8268 0.6222 2.6282 1.4215 0.3309 0.9549 21.9969 1.1617 0.8084 1.3891 3.8264 0.9179 1.7795 0.8727 0.6966 2.3581 N-acetylglucosamine/N-acetylgalactosamine 0.9410 1.4309 2.3461 0.9079 3.4269 1.2515 0.5260 0.9842 1.0530 0.4487 1.2698 0.9846 0.4328 0.3954 1.4199 0.3194 1.5775 1.1204 2.1641 1.0140 3.4984 0.9860 0.4694 0.4314 1.5528 0.4543 0.3955 1.1367 0.2834 1.5769 N-acetylglucosaminylasparagine 0.9430 1.7400 0.7138 0.7871 0.7086 2.0757 0.5301 0.9807 1.6178 1.1171 1.3645 1.2067 1.4931 1.0070 2.3339 0.8067 1.1460 1.5100 0.6857 0.8395 0.6754 2.0100 0.9930 0.5515 1.2481 1.6694 0.8880 2.0059 0.6895 0.8935 N-acetylglutamate 2.2171 0.4098 2.2298 0.5722 0.9936 1.0845 1.3311 2.3357 2.3757 0.5164 0.2673 1.9050 7.9589 0.2228 1.9914 0.0997 0.5388 0.3375 2.2221 0.6106 1.0064 1.1502 0.4908 1.4980 0.4155 7.3296 0.2566 1.6614 0.0770 0.4454 N-acetylglutamine 1.7882 0.2271 0.4721 0.4887 1.0896 1.9784 0.7428 1.8227 0.7933 1.0680 1.2198 0.6665 2.4956 1.3023 1.2796 0.3304 0.9596 0.2112 0.4863 0.5277 1.0486 1.7484 0.9600 0.6394 1.0400 1.7297 1.1283 1.0862 0.3084 0.8840 N-acetylglycine 1.4727 1.5846 1.4490 0.3006 0.9975 0.5728 0.8243 1.8005 1.0025 0.6186 0.4392 0.8364 1.0384 1.3589 1.4071 0.8247 2.1353 1.5681 1.4948 0.3848 0.9032 0.6188 0.5707 0.6323 0.3958 1.0299 1.3377 1.0186 0.6730 1.8475 N-acetylhistidine 0.4460 1.2955 0.9761 0.9996 0.5182 1.1265 0.5140 0.4083 2.3513 1.0723 0.6597 1.7955 0.9157 2.8950 1.1772 0.6628 21.1359 1.0004 0.9961 1.2314 0.5159 1.2265 1.0141 0.8783 0.7745 1.1143 2.7138 0.9761 0.6481 16.9012 N-acetylisoleucine 1.2269 0.5707 1.4644 0.5707 0.5961 2.0281 1.0000 0.7556 0.8960 0.9168 0.6018 0.8346 1.6337 1.1101 1.1408 0.6211 1.3657 0.5707 1.6683 0.7662 0.8827 1.7460 1.0557 0.6928 0.6965 2.1968 1.0599 0.5707 0.6180 1.7375 N-acetylleucine 1.1789 0.3131 1.0051 0.3131 0.5760 2.1685 1.1016 0.6789 0.5183 1.0141 0.9949 0.8328 2.5519 1.3430 0.7445 0.6305 1.0704 0.3131 1.4087 0.3739 0.3131 2.3686 0.9021 0.6518 1.0611 2.6945 1.4343 0.3131 0.3315 0.9261 N-acetylmethionine 1.7085 1.5543 0.1632 0.3760 0.9967 1.9207 0.8915 1.1227 1.0033 0.6869 0.8890 0.9776 2.3598 1.7490 0.5865 0.8140 2.0074 1.2769 0.1844 0.3481 0.6440 1.3222 0.5791 0.8816 1.0744 1.7507 2.1843 0.2709 1.0103 2.0080 N-acetylmethionine sulfoxide 2.6077 1.3616 0.5427 0.3242 1.0147 3.7313 0.8940 1.9919 0.6643 0.3187 0.9890 0.4970 1.6612 1.6452 0.9188 0.9540 3.6372 1.0943 0.5327 0.3226 0.8410 2.6142 0.3591 1.0916 1.0110 1.0592 1.9834 0.4891 0.9889 3.0004 N-acetylneuraminate 1.1131 1.0259 2.3309 0.7492 1.1623 6.4679 0.7539 0.8527 0.6356 0.9741 1.4478 0.6384 0.4895 1.7491 0.5901 1.3318 0.6862 0.7223 1.7150 0.7348 1.1876 6.0295 0.9635 1.0576 1.5283 0.6037 1.8563 0.6722 1.1810 0.8366 N-acetylphenylalanine 0.2829 0.2829 1.7975 0.4644 0.2829 1.5891 2.0690 0.2829 0.3782 0.2829 0.8157 0.2829 2.2421 0.9995 0.4668 0.5115 2.7374 0.2829 1.8535 0.4313 0.2829 1.5214 0.8628 1.6396 0.7786 2.3511 1.0005 0.2829 0.4679 2.4879 N-acetylputrescine 0.3876 0.6577 0.9981 0.1243 2.8202 0.1826 0.9379 0.4214 1.4900 1.8738 0.1135 1.1306 2.2633 0.1206 2.8979 2.1490 1.8518 0.5258 1.0019 0.1319 2.9440 0.1769 1.7640 0.5128 0.1295 2.0986 0.1113 2.3680 1.8890 1.6264 N-acetylserine 2.4347 0.7939 1.2014 0.4384 1.5892 0.9946 0.6872 2.5023 1.0704 0.9328 0.8277 1.0054 3.5200 1.3045 1.0204 0.6119 1.9681 0.7192 1.1761 0.4656 1.3291 0.8919 0.8394 0.6482 0.9127 2.9501 1.1495 0.8999 0.5595 1.7468 N-acetyltaurine 0.0995 0.9552 7.1070 3.1984 1.0332 2.8639 5.2083 0.0995 2.0873 0.9668 0.4064 1.5692 35.2627 0.5793 0.0995 0.3295 0.7454 0.6924 6.8551 3.6509 1.3386 2.7786 0.8455 4.8874 0.4434 20.1075 0.5748 0.1056 0.2428 0.7049 N-acetylthreonine 0.8612 1.1417 1.1923 0.9757 1.2346 1.1068 0.8790 1.1904 1.0935 0.7759 0.6847 0.7703 1.7613 1.2295 0.8637 0.5064 2.1220 0.8374 1.2203 0.9215 1.0243 0.8476 0.7848 1.2769 0.8416 1.9085 1.1855 0.7341 0.4147 1.6866 N-acetyltyrosine 0.2876 0.2876 0.2876 0.5877 0.2876 0.9367 1.0763 0.2876 0.2876 0.2876 0.2876 0.2876 1.2948 1.0011 0.2876 0.2876 1.3792 0.2876 0.9018 0.6418 0.2876 1.2206 0.2876 0.9989 0.2876 1.6194 0.6300 0.2876 0.2876 1.4300 N-acetylvaline 1.7833 1.4269 1.1554 0.9076 0.9997 1.2279 0.9861 1.6684 0.9194 0.6533 0.9150 0.7297 2.3406 1.6283 0.6993 0.6763 2.2563 0.8565 1.0203 0.8310 0.8498 1.0793 0.7487 1.0153 1.0003 2.4025 1.3817 0.7001 0.7010 1.7800 N-behenoyl-sphingadienine (d18:2/22:0)* 0.7297 1.5253 0.6805 0.5664 1.0377 1.1760 0.8000 0.6553 3.4132 0.3884 0.9623 3.0384 0.4623 0.7323 1.2442 1.5640 1.4708 1.2803 0.6031 0.5551 1.0422 1.1055 0.4263 1.0917 0.9226 0.4480 0.8364 1.6304 1.4772 1.6225 N-carbamoylaspartate 0.7182 0.3515 0.9885 0.3515 0.3515 1.8694 2.8249 0.3515 2.5469 1.1610 1.0057 1.5303 0.6701 0.5334 0.3515 0.3515 1.7504 0.3515 1.0000 0.3515 0.5370 1.3502 0.9611 3.4320 0.3515 0.7983 0.5788 0.3515 0.3515 0.3515 N-delta-acetylornithine 1.2155 1.8749 1.0407 0.7277 1.2779 0.9902 0.6116 1.2810 0.7879 1.0294 0.8059 0.5631 2.1400 0.6648 1.1244 0.7520 2.2367 1.6089 1.0348 0.7517 1.3399 1.0098 0.9812 0.4461 0.7264 2.0736 0.5853 0.8429 0.6972 1.7582 nervonoylcarnitine (C24:1)* 0.2640 0.1366 0.0262 1.3100 1.0045 84.4081 0.3550 0.3310 1.3456 0.2114 0.9955 1.0143 0.0262 5.1567 1.1488 1.2144 0.7968 0.0262 0.0262 1.3155 1.0133 75.9322 0.2224 0.7483 0.8869 0.0262 5.4854 0.9067 1.0950 0.7264 N-formylmethionine 1.7656 0.9360 1.3093 0.2756 0.4425 0.9780 0.6412 1.6719 1.1867 0.6243 1.4796 0.9034 3.3427 2.8511 1.1324 0.7006 1.3425 0.7981 1.3651 0.2915 0.4195 0.8785 0.6137 0.5250 1.5036 3.7647 2.7844 1.0220 0.6300 1.1483 N-formylphenylalanine 1.0741 0.7901 0.8014 0.7457 1.0074 1.0930 0.9126 0.7758 1.1281 0.8139 1.0111 0.7516 1.0641 1.3397 1.1781 0.7518 1.1099 1.6854 1.6632 0.5669 0.6143 1.2153 0.9926 0.5588 0.8538 1.6579 1.8771 0.6858 0.5752 1.1714 N-glycolylneuraminate 0.9029 0.9987 1.0349 0.6195 2.7669 2.2477 0.5921 0.9275 1.0335 0.6141 1.2063 0.7942 0.5690 0.9957 0.2583 1.7066 0.7855 1.0000 0.8631 0.6472 2.2912 1.8408 0.5322 1.0313 1.1746 1.0037 1.0639 0.2583 1.4326 1.0037 nicotinamide 1.5205 1.3971 0.8667 0.7123 1.0153 0.7895 0.6851 1.2063 1.6628 1.0070 0.9930 1.7965 0.9768 0.8640 1.1222 0.6679 1.1568 1.2953 0.4056 0.4926 0.6600 0.6673 1.1259 0.4042 1.0715 1.0896 0.9886 1.0660 0.7645 1.2350 nicotinamide adenine dinucleotide (NAD+) 0.6554 1.5803 2.5479 1.3611 1.1956 0.8002 1.3194 0.7774 1.5612 1.0017 0.2874 0.8136 0.7958 0.4558 1.4078 0.6894 1.3230 1.3961 2.5737 1.5601 1.3572 1.0060 0.6769 1.6194 0.0847 0.7235 0.3212 0.9983 0.4242 0.6810 nicotinamide adenine dinucleotide phosphate reduced (NADPH) 0.2547 1.9345 0.2547 0.2547 0.2547 0.9715 0.2547 0.8607 0.2547 1.4278 0.2547 0.2547 0.2547 0.5284 0.2547 1.2763 1.0908 1.4012 0.2547 0.2547 0.2547 0.7037 0.8619 1.1778 0.2547 0.2547 0.2547 0.2547 0.9809 1.0191 nicotinamide adenine dinucleotide reduced (NADH) 0.4440 2.2167 2.7731 1.0588 2.0411 1.2034 1.4873 0.5560 1.4926 1.8008 0.6636 0.7723 0.7422 0.5127 0.8258 0.9412 1.0831 1.8269 3.1292 1.4822 1.8469 1.2706 0.8886 2.9084 0.2572 0.9142 0.2910 0.4236 0.4657 0.6750 nicotinamide ribonucleotide (NMN) 0.8979 1.3746 1.3714 1.1087 2.2789 2.1279 0.7473 0.6845 1.9148 0.2697 0.0655 1.6818 0.2300 0.4589 1.0092 0.0976 1.0844 1.5315 1.3160 0.9908 1.7818 1.7963 0.2675 2.7168 0.1029 0.5164 0.5657 1.3777 0.1159 0.9553 nicotinamide riboside 0.5730 2.0179 3.2822 0.6620 1.3934 0.8846 0.5276 0.5405 1.5858 1.2755 0.3661 1.5739 2.1661 0.2890 1.7550 0.5522 1.0120 1.8003 3.3349 0.7050 1.5248 0.9880 1.0490 0.7711 0.3306 2.5507 0.2805 1.3750 0.5246 0.9108 N-margaroyl-sphingosine (d18:1/17:0)* 1.6354 1.0106 1.0306 0.9378 2.0586 0.5956 2.7118 1.3776 1.8787 0.5424 2.2782 1.7525 0.9561 0.4083 1.1734 0.2149 0.5979 1.0153 0.9803 0.9894 1.7459 0.5620 0.6282 2.0343 2.5253 0.7758 0.4710 1.5184 0.2303 0.5897 N-methyl-GABA 0.9327 0.1752 0.1752 0.2426 9.6125 0.1752 0.1752 1.4597 0.1752 0.1752 1.1913 0.1752 0.1752 2.6443 0.6579 0.1752 0.1752 0.1752 0.1752 0.1752 9.4560 0.1752 0.1752 0.5640 1.0000 0.1752 2.3232 0.5927 0.1752 0.1752 N-methylproline 0.5007 0.5007 1.3068 0.5007 1.5584 0.9585 0.5007 0.5007 0.9846 0.7512 0.6975 1.0154 1.1372 2.0821 1.3047 0.5895 0.7301 0.5007 0.5007 0.8571 1.8995 0.8293 1.1214 0.6707 0.5462 1.2142 1.1382 1.2495 0.5007 0.5007 N-monomethylarginine 1.2053 3.6154 0.2183 0.4109 1.0709 0.8799 1.2642 0.9291 1.7730 1.8555 0.4550 1.7165 0.2506 1.5011 1.2675 0.6177 1.6599 2.6254 0.2012 0.3030 0.8578 0.6392 2.4203 1.3841 0.6516 0.3690 1.9743 0.8010 0.7099 1.7929 N-myristoyl-sphingosine (d18:1/14:0)* 1.0272 1.9585 1.1364 0.4966 1.2285 0.8303 1.6655 1.0485 0.9983 0.9370 0.6502 0.9632 0.5552 1.8184 1.4840 0.4473 3.4241 1.8085 1.0017 0.5953 0.9154 0.7578 0.8225 1.8583 0.7253 0.6719 1.7496 2.0638 0.4373 2.9997 N-oleoyltaurine 0.3567 1.0000 0.8809 0.3654 0.3567 0.7929 2.3822 0.3567 1.1946 0.3567 2.1337 0.8637 1.2965 0.7227 0.3567 0.3567 0.3567 1.3742 1.2488 0.3667 0.3567 0.7029 0.3567 1.0694 1.1149 1.2364 0.8216 0.3567 0.3567 0.3567 nonadecanoate (19:0) 1.0080 1.1811 0.5774 1.1328 1.6380 1.3353 1.2881 0.9417 0.8511 0.9920 1.1731 0.6807 0.5671 0.8259 1.3055 0.4457 0.6885 1.5896 0.6381 1.1230 1.0935 1.1585 1.1619 1.3094 1.2084 0.7096 0.8502 0.9483 0.3933 0.6145 N-palmitoylglycine 0.3879 0.3879 2.1049 0.5378 0.3879 1.0337 0.6511 0.3879 2.2948 0.3879 0.3879 1.1446 0.3879 0.9663 0.3879 0.3879 0.3879 0.3879 2.9088 0.7119 0.3879 0.3879 0.3879 0.4013 0.3879 0.3879 1.6151 0.3879 0.3879 0.3879 N-palmitoyl-heptadecasphingosine (d17:1/16:0)* 1.2048 1.2800 1.1752 0.9997 0.7359 0.7476 1.2125 0.9797 1.5876 0.8537 1.0059 1.5389 0.9868 0.7329 1.9706 0.2800 0.7415 1.0539 1.0003 1.0281 0.5850 0.7063 0.9365 1.2551 1.2033 1.1196 0.7876 2.9615 0.2794 0.7730 N-palmitoyl-sphingadienine (d18:2/16:0)* 1.7783 1.5686 0.7044 0.6335 0.6920 1.1374 1.1610 1.8033 1.8944 1.1285 0.8983 1.9470 0.7284 1.0387 1.3366 0.5446 0.8857 1.4805 0.5929 0.7861 0.5013 1.0481 0.9967 1.8845 0.8426 0.9055 1.0033 1.9862 0.5187 0.7843 N-palmitoyl-sphinganine (d18:0/16:0) 5.5992 1.1682 0.8864 0.3629 2.0404 0.9967 1.0657 6.1420 0.1350 2.1001 0.8813 0.1131 2.0406 2.2825 0.6324 0.2127 2.5741 1.2621 0.9773 0.4846 1.7083 0.9686 2.1815 0.8021 0.7673 1.0033 2.4297 0.7541 0.2446 2.4672 N-palmitoyl-sphingosine (d18:1/16:0) 1.7641 1.4718 0.9393 0.8081 1.1764 0.8071 1.0472 1.5029 1.4154 0.7365 1.2249 1.3421 0.8639 1.3227 1.1001 0.3045 0.9631 1.2195 0.7836 0.8705 1.0369 0.7636 0.8211 0.9073 1.5042 0.9133 1.4671 1.4646 0.3006 0.9619 N-palmitoyltaurine 0.4858 0.4858 0.9805 1.2447 0.4858 1.0988 0.5205 0.4858 0.6844 0.4858 0.5593 0.4858 1.7291 0.4858 0.4858 0.4858 0.4858 0.4858 1.7217 1.3126 0.4858 1.0000 0.4858 0.5378 0.4858 1.0980 0.4858 0.4858 0.4858 0.4858 N-stearoyl-sphingadienine (d18:2/18:0)* 1.1998 0.7440 0.4598 1.8849 1.1602 1.3391 0.8348 1.0373 5.6985 0.5544 0.4174 5.2630 0.6487 1.3517 0.9920 0.7968 1.5166 0.5608 0.3895 1.9854 1.0080 1.2468 0.5809 0.7752 0.5221 0.5796 1.3805 1.2043 0.7487 1.4938 N-stearoyl-sphinganine (d18:0/18:0)* 26.8145 2.2780 1.5617 0.3258 1.3264 0.4845 0.6527 30.1873 0.2634 1.3568 0.4711 0.3281 3.0650 2.2282 0.5582 0.1869 5.5581 4.1449 1.6688 0.3861 1.2529 0.4748 1.4228 0.3896 0.3400 0.7471 2.5427 0.6646 0.1918 4.9950 N-stearoyl-sphingosine (d18:1/18:0)* 1.6324 1.4922 0.7534 0.8787 2.0293 0.8474 1.0259 1.3653 4.5498 0.5213 0.9492 4.2660 1.0189 2.0602 0.9640 0.6113 3.1559 1.7773 0.7261 0.9811 1.9093 0.8482 0.5924 0.8621 0.9509 0.7903 2.3176 1.2590 0.6767 3.0086 N-stearoyltaurine 0.2499 0.8660 2.2290 1.3306 0.2499 1.0000 1.1017 0.2499 1.2894 0.2499 0.7772 0.5397 2.6461 0.2499 0.2499 0.2499 0.2499 0.5057 2.8062 1.5410 0.2499 0.8387 0.5236 1.1622 0.9815 2.5663 0.2526 0.2499 0.2499 0.2499 o-cresol sulfate 6.0960 1.1728 0.1368 0.4494 1.1597 0.9143 1.0000 6.1134 0.9242 0.1830 0.1368 0.6853 0.1368 0.2382 0.5808 1.1848 1.2489 1.1662 0.1368 0.5338 1.0754 1.0270 0.2997 1.3033 0.1368 0.1368 0.2300 0.4680 1.0445 1.2122 octanoylcarnitine (C8) 1.5493 0.5660 0.5317 2.3498 2.8659 0.1713 0.5362 1.2040 1.6548 0.2837 1.8388 1.7602 0.0268 0.6768 7.4286 1.1760 0.2967 0.3400 0.3418 2.0045 3.0621 0.1216 0.1896 1.3871 1.7634 0.0268 0.4341 3.0624 1.0000 0.1617 oleate/vaccenate (18:1) 1.1345 3.6699 0.3044 2.0158 1.0577 1.6571 1.8397 0.9488 1.3430 0.4394 0.4324 1.1109 0.1711 1.1958 0.7452 0.4267 0.8208 3.4219 0.3567 1.9052 0.6398 1.3685 0.5350 1.5396 0.5266 0.3713 1.4377 0.6240 0.4088 1.0512 oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]* 0.7701 2.0361 0.3994 1.6614 1.8609 0.4742 1.4538 0.8216 1.2130 1.2181 0.9998 1.1430 0.4700 3.1297 1.0002 0.3421 1.3036 1.8386 0.3676 2.2458 1.7874 0.4963 0.8232 0.9899 0.4564 0.7363 3.1224 0.7188 0.3105 1.1130 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* 0.9798 1.0520 0.4983 1.9568 2.5721 0.9215 1.3785 0.9904 1.3052 1.1141 1.8773 1.1138 0.7401 1.6524 0.9594 0.5446 0.8955 0.8458 0.4746 2.0715 2.5884 0.8755 1.0105 0.8472 1.2824 1.0096 1.8513 0.8954 0.5140 0.9212 oleoylcarnitine (C18:1) 3.0735 0.5536 0.9759 4.0437 2.2512 15.5848 0.5433 4.2190 1.7479 0.4554 1.5300 0.8349 0.0150 1.0205 1.5758 1.5491 0.2741 0.4753 1.0323 6.1225 4.7220 16.6248 0.2182 2.0241 0.9795 0.0084 0.6990 0.5809 0.9635 0.2267 oleoylcholine 0.7280 3.5940 0.5782 1.1005 1.1512 6.9367 0.6032 1.0131 1.5011 0.5387 0.5197 0.9552 0.1978 4.8680 4.0091 0.1423 1.1563 3.3609 0.6153 1.4833 1.4877 7.3900 0.5074 0.5724 0.2645 0.1604 4.7887 3.2195 0.1334 0.9869 oleoyl ethanolamide 0.7986 2.4474 1.1464 1.1504 0.5344 1.6027 1.2569 0.6991 2.0900 0.4718 0.7203 1.5092 1.1950 0.4623 0.4007 0.3244 1.0184 2.8980 1.5928 0.9816 0.2895 1.4253 0.7074 1.0793 0.7882 1.0556 0.4792 0.4119 0.3196 1.3330 oleoyl-linoleoyl-glycerol (18:1/18:2) [1] 0.5236 5.9797 0.6329 0.4874 6.1948 0.4658 3.1721 1.2316 1.3069 1.1676 0.1224 0.4832 0.9291 10.4901 0.3268 0.1730 3.7358 0.9193 2.4232 1.6179 2.3613 0.6953 1.0709 2.6744 0.4675 0.1888 8.4403 0.3634 0.1087 2.8043 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] 1.0895 3.7386 0.8413 1.8753 2.8123 0.6645 1.8773 1.1139 0.8430 0.8911 1.0102 0.7464 1.0484 2.6427 0.5204 0.3750 1.5563 2.7257 0.7724 1.8869 2.0893 0.6248 0.9202 0.9760 0.8244 0.9898 2.7288 0.5305 0.3639 1.4464 oleoyl-oleoyl-glycerol (18:1/18:1) [1]* 1.5327 5.7278 1.2958 1.7513 2.8685 0.5649 0.9948 1.6690 0.8746 1.4136 0.3119 0.3325 0.0932 1.7581 0.0932 0.4587 0.5383 5.9583 1.4544 2.2411 3.4755 0.5691 1.0262 1.0000 0.2058 0.4078 1.6737 0.6796 0.4556 0.1220 oleoyl-oleoyl-glycerol (18:1/18:1) [2]* 1.3491 4.1342 1.1198 1.6865 2.0526 0.9645 1.1138 1.3864 0.6246 1.4022 0.7331 0.5540 0.5735 1.5025 0.4682 0.4646 0.8933 3.2652 1.0355 1.8805 2.3918 0.9595 1.2211 0.9235 0.5576 0.7957 1.5932 0.6042 0.4646 0.9117 O-methylcatechol sulfate 3.5597 0.9144 0.1130 0.4780 1.2529 2.3525 0.9988 3.5725 1.9623 0.7623 0.0949 1.6166 0.2578 0.4926 1.4911 1.3384 1.4410 0.9733 0.1560 0.5115 1.3341 2.2144 0.9149 1.6771 0.2605 0.2242 0.4257 1.0892 1.0012 1.1026 O-methyltyrosine 1.5633 1.4450 1.5018 0.6624 0.8101 0.5951 1.0764 1.5506 1.0061 1.7306 0.9709 0.7070 1.8101 1.1149 0.5318 1.1150 1.0183 1.4785 1.7286 0.8091 0.9678 0.7309 1.4321 0.9939 0.5013 1.9186 0.9394 0.6210 0.9500 0.7083 ophthalmate 0.0469 84.6936 1.6401 1.0000 0.1943 0.0596 4.8268 0.0469 3.2216 0.4434 0.6017 2.3233 0.4433 0.0469 12.1678 1.8362 0.1998 66.5956 1.6851 1.4655 0.3047 0.0469 0.3081 2.9594 0.4073 0.4988 0.0864 9.0596 1.3796 0.1435 ornithine 1.3064 0.4076 0.3098 1.0181 0.9849 0.6789 0.6176 1.4128 1.4963 1.4417 1.3481 1.0763 1.7217 0.4557 1.2878 0.7017 1.2019 0.3426 0.3075 1.0978 0.9954 0.6205 1.3221 0.3132 1.3269 1.3231 0.4466 1.0046 0.6310 0.9902 orotate 0.0489 4.6463 0.0226 0.3073 0.0644 4.3776 157.8133 0.2021 45.5672 0.3530 10.9295 24.1280 0.1025 24.0381 1.5615 2.2328 0.6007 5.5695 0.0390 1.0000 0.2580 4.7099 0.0943 39.9300 4.1855 0.0226 19.6094 0.0667 0.9651 0.4100 orotidine 0.7515 1.7655 4.8098 1.4083 0.2607 0.5368 2.7171 0.7059 1.2640 1.1242 0.1654 0.9905 0.5589 1.2778 0.2913 0.0553 1.4564 1.3182 4.7281 1.7032 0.2931 0.5052 1.0095 4.0019 0.2140 0.5356 1.2120 0.2643 0.0402 1.2233 orotidine 5^-phosphate 0.6487 0.6487 0.6487 0.6487 0.6487 0.6487 0.7239 0.6487 1.2761 0.6487 0.6487 0.6487 0.6487 0.6487 0.6487 0.6487 0.6487 0.6487 0.6487 0.6487 0.6487 0.6487 0.6487 6.4425 0.6487 0.6487 0.6487 0.6487 0.6487 0.6487 O-sulfo-L-tyrosine 0.8793 4.3045 1.2404 1.0958 0.6103 1.9485 0.5080 0.7988 0.6556 0.9917 0.9674 0.4748 2.8603 0.6095 1.1557 0.6116 3.0684 3.4712 1.1278 1.1046 0.6226 1.7614 0.8499 0.8921 1.0311 3.2881 0.6725 1.0083 0.4673 2.4137 palmitate (16:0) 1.3643 1.9544 0.6629 1.3434 0.8564 1.0402 1.0745 1.3707 2.0383 0.5456 0.4528 1.8008 0.5446 1.1328 1.1983 0.7681 0.9680 1.9242 0.6412 1.3375 0.6435 0.8593 0.5819 1.0852 0.6064 0.7593 1.2746 0.9714 0.6466 1.0286 palmitoleate (16:1n7) 0.9062 4.1613 0.2166 1.1598 0.3155 1.1615 1.2693 0.9871 2.4126 0.1583 0.1295 1.8353 0.0866 2.4399 1.1058 0.4130 3.1770 3.7572 0.2369 1.0129 0.1570 1.0381 0.2367 1.3752 0.2047 0.1940 3.7543 0.7339 0.4098 4.1941 palmitoleoylcarnitine (C16:1)* 2.5808 0.4551 0.4026 3.2004 1.2944 9.0721 0.4001 3.1433 1.4683 0.2554 1.1610 0.8336 0.0039 1.4783 1.4015 1.5489 0.3840 0.3394 0.4620 4.7111 2.3986 11.9110 0.1154 2.5666 0.7028 0.0027 1.0418 0.5632 0.9582 0.3084 palmitoleoyl ethanolamide* 0.5966 3.1003 1.2204 0.4868 0.3010 1.5726 1.1383 0.7472 3.5369 0.6962 0.4412 3.4364 0.8318 2.2620 0.6518 0.4838 2.4713 2.8193 1.1631 0.4217 0.3010 1.2442 0.8620 1.4133 0.3432 1.0000 2.4413 0.6887 0.4579 2.8246 palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]* 0.8889 3.0279 0.5183 1.0509 1.6482 0.1693 1.9095 1.3144 3.1171 0.5862 0.1686 1.2647 0.3014 14.1796 0.9491 0.5559 3.2343 3.9325 0.9412 1.3703 0.1686 0.2663 0.5837 1.5029 0.1686 0.4435 1.9401 0.3917 0.4455 4.1502 palmitoleoyl-oleoyl-glycerol (16:1/18:1) [1]* 0.4899 5.6726 1.1521 0.9116 0.4899 0.4899 0.4899 1.6430 0.4899 1.0884 0.4899 0.4899 0.4899 5.2594 0.4899 0.7006 0.7028 6.0229 0.4899 0.4899 0.4899 0.4899 0.6599 0.7808 0.4899 0.4899 0.4899 0.4899 0.4899 0.4899 palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]* 1.2585 3.6671 0.9757 0.7890 0.4988 0.5016 0.4988 1.4538 1.3551 1.1454 0.4988 0.4988 0.4988 3.9806 0.4988 0.5402 2.4848 3.4383 0.8392 0.9851 0.7752 0.7122 1.0149 0.8162 0.4988 0.5779 4.4576 0.4988 0.4988 2.5447 palmitoleoyl-palmitoleoyl-glycerol (16:1/16:1) [2]* 1.5985 4.2757 0.9810 1.0127 0.9120 0.9843 1.0197 1.5210 3.6151 0.8263 0.3608 2.8478 0.5112 18.0464 0.8283 1.2315 11.4431 3.1871 0.8344 1.0058 0.9514 0.9942 0.8679 0.9264 0.3808 0.8482 19.5328 0.6992 1.1303 10.9677 palmitoloelycholine 0.5080 4.6588 0.1402 0.9494 0.5949 2.4403 0.4542 0.8090 1.7229 0.3556 0.2522 1.1296 0.1402 17.9560 5.7668 0.1402 3.2770 4.1956 0.2033 1.0506 0.7097 2.7447 0.3285 0.4811 0.1402 0.1402 17.8122 5.2522 0.2555 2.8670 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* 0.8150 2.1519 0.4173 1.3029 1.1884 0.4451 0.9552 1.0163 2.3486 0.6725 0.5131 1.8688 0.3671 4.1639 1.3565 0.3939 2.2805 1.1568 0.3827 1.6204 1.7440 0.5202 0.4188 0.9837 0.3674 0.5439 5.0085 1.1439 0.3371 2.2986 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]* 0.9454 0.7006 0.3505 1.2427 1.5991 0.6672 1.0471 1.0359 2.0965 0.7673 1.1026 1.7007 0.5892 1.4806 1.2419 0.7535 0.9997 0.5786 0.3251 1.2941 1.7807 0.6457 0.6927 0.7617 1.0003 0.9857 1.6177 1.2293 0.6746 1.0315 palmitoylcarnitine (C16) 3.3552 0.4892 0.1749 2.3116 0.7644 4.0884 0.3497 4.1340 4.1649 0.3705 1.1700 2.3280 0.0108 0.9687 2.6995 2.1591 0.4197 0.4400 0.1450 2.8561 1.3323 4.3268 0.1815 1.1444 0.8370 0.0082 0.7058 1.0313 1.5781 0.3069 palmitoylcholine 1.0758 2.4116 0.3694 0.8855 0.7366 4.1505 0.5735 1.5268 4.8451 0.6341 0.7002 3.0927 0.7848 9.1345 10.5621 0.4365 2.3514 2.3777 0.4637 1.1269 0.9242 3.7936 0.5353 0.5814 0.4278 0.3044 8.9361 8.9036 0.3331 2.0259 palmitoyl-dihomo-linolenoyl-glycerol (16:0/20:3n3 or 6) [2]* 0.6748 4.9737 0.6514 2.1092 0.4517 1.3792 0.8220 0.4517 1.4332 1.3913 0.7137 1.2128 0.4517 2.2050 0.7865 0.6743 1.6219 2.7054 0.6397 2.0836 0.5695 1.4763 1.1780 0.7816 0.7064 0.7230 2.6132 0.8165 0.5838 1.6803 palmitoyl dihydrosphingomyelin (d18:0/16:0)* 1.9701 1.7636 0.1118 0.1887 1.5119 1.0547 1.2886 2.2245 0.0728 3.4505 0.9030 0.0600 0.8602 1.8689 0.5688 0.6620 1.6945 1.7419 0.1123 0.2302 1.5063 1.0054 3.2121 0.9946 0.7360 0.8079 1.7868 0.4869 0.5752 1.4501 palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]* 0.7797 1.3899 0.3398 1.1642 1.5937 0.7745 1.0556 1.0480 1.4104 1.1373 0.4127 1.2135 0.2618 1.2296 1.0000 0.3277 0.3269 0.2346 0.5793 1.3546 3.7274 0.8040 1.1886 0.6449 0.3736 0.3579 1.1293 0.6990 0.2346 1.1086 palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [2]* 1.5380 1.0196 0.8333 1.8973 1.5240 0.6261 0.9565 1.7393 2.7266 1.2882 1.2829 2.3519 0.6451 0.6283 1.5802 0.7230 0.9804 0.8507 0.5214 1.7855 1.6102 0.5158 0.9280 0.4547 1.0933 1.1678 0.5142 1.6205 0.7025 0.9506 palmitoyl ethanolamide 0.9359 1.5643 2.3417 0.9036 0.4533 1.7911 1.4112 0.5544 3.6369 0.6139 1.1738 2.4328 2.5781 0.7086 0.6292 0.6639 0.5953 1.9044 2.6931 0.7859 0.2218 1.4594 1.0423 1.4141 1.3406 3.1449 0.9577 0.6689 0.5828 0.7201 palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]* 0.6771 0.1315 1.3533 0.1315 0.2214 0.1641 0.1315 1.0005 2.4208 0.1315 0.1359 1.2261 1.3302 1.3831 0.5483 0.1315 1.4396 1.9942 1.0000 0.4813 0.2340 0.1315 0.1782 0.1315 0.1315 1.5318 1.0748 0.5421 0.2470 1.1189 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* 0.9949 1.8714 0.7104 1.4341 1.4231 0.6955 1.5299 0.7909 1.8022 0.4474 0.8142 2.2249 0.8542 1.8816 1.1177 0.5383 1.0051 1.6349 0.4472 1.4611 1.0360 0.6503 0.5019 0.8576 0.7490 0.9238 2.0121 1.1714 0.4978 1.4381 palmitoyl-myristoyl-glycerol (16:0/14:0) [2] 1.6726 0.7765 1.2267 0.8419 1.3164 0.6725 0.4111 1.8042 2.4506 0.7264 0.4786 2.1588 1.1350 0.9396 0.7867 2.9514 1.8906 0.7483 1.0604 0.9125 1.6217 0.6354 0.5137 0.6374 0.5191 1.9215 1.1310 0.7600 2.7090 1.8626 palmitoyl-oleoyl-glycerol (16:0/18:1) [1]* 1.1742 2.5081 1.0052 1.1691 1.5327 0.3833 0.6028 1.2774 1.7262 0.7835 0.1586 1.4565 0.4017 1.1570 0.9948 0.5988 0.8938 2.5267 1.1827 1.5458 2.0025 0.4002 0.5182 0.7750 0.1739 0.5651 1.1167 1.1508 0.5294 0.8809 palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* 1.2624 2.2029 1.1242 1.4847 1.2480 0.8529 0.8618 1.3203 1.6156 0.9405 0.7357 1.4337 0.8248 1.1535 0.8602 0.8125 0.9611 1.8630 0.9992 1.5613 1.6008 0.8052 0.7973 0.9307 0.6755 1.1012 1.3114 0.9426 0.7487 1.0008 palmitoyl-palmitoyl-glycerol (16:0/16:0) [1]* 1.5027 0.9172 1.2077 0.4251 1.0819 0.3111 0.2910 1.5859 2.0519 0.4973 0.1418 2.0934 0.7801 1.2381 0.7709 1.5914 1.0038 1.4046 1.2686 0.5221 1.3824 0.2933 0.3593 0.3709 0.1691 1.2837 1.3400 0.8241 1.7257 0.9962 palmitoyl-palmitoyl-glycerol (16:0/16:0) [2]* 1.8985 0.8032 1.5104 0.5919 1.1214 0.4658 0.4347 1.9672 2.4761 0.6930 0.9839 2.3777 1.5202 1.0161 0.5117 2.9115 0.8901 1.1331 1.3110 0.7340 1.4047 0.4639 0.5497 0.5079 0.8394 2.4484 1.2528 0.4876 3.4548 0.7848 palmitoyl sphingomyelin (d18:1/16:0) 1.9670 2.5462 0.6900 0.7772 1.5011 0.8851 1.1486 1.7844 0.7091 1.1967 1.1556 0.6427 1.3038 0.6974 1.1753 0.6525 0.4219 2.1261 0.6959 0.7348 1.8560 0.8581 1.2534 1.0642 1.2386 1.3034 0.7802 0.9358 0.5673 0.4203 pantetheine 1.2528 1.1516 1.3021 1.2117 0.8395 0.9228 2.7469 1.0012 2.2637 0.9061 1.1666 2.1559 0.7876 1.0365 0.6662 0.5215 0.5938 0.9786 0.8651 1.0273 0.4982 0.6462 1.2833 1.7693 1.5010 0.9988 1.0795 0.4775 0.5626 0.5966 pantothenate 1.3600 1.8489 1.0444 0.1267 1.2587 0.2311 1.0060 1.5698 0.9569 0.7824 2.6327 0.7109 2.8866 1.2167 0.1525 1.1306 0.3485 1.3125 0.9940 0.1398 1.8659 0.2262 0.7617 0.5257 2.6727 2.4953 1.9183 0.1026 0.7802 0.2861 p-cresol sulfate 3.3730 1.0198 0.8897 0.7737 0.5181 2.0480 1.6150 3.2851 0.9802 0.4116 0.8384 0.8965 2.2371 1.6517 0.2075 1.2535 1.6972 0.8964 1.2128 0.8100 0.4935 2.2406 0.5170 1.4255 0.6884 2.2442 1.6410 0.1045 0.8079 1.4430 penicillin G 1.2478 0.3375 3.3445 1.4605 1.4288 1.5165 0.4384 1.3278 1.4955 0.1077 0.5105 1.0303 1.2568 0.9697 0.7728 0.3749 2.6278 0.3340 3.9303 1.6413 1.3716 1.5468 0.1040 0.4780 0.8093 0.8304 0.9037 0.7488 0.3303 2.1018 pentadecanoate (15:0) 1.6697 1.5183 0.8291 1.3426 1.1269 0.9319 1.3484 1.6110 2.6070 0.7158 0.5097 1.9561 0.7393 0.7638 1.5921 0.6914 1.0915 2.1114 0.8647 1.2151 0.8610 0.8436 0.8649 1.0824 0.6540 0.9172 0.8297 1.1664 0.6244 1.0681 phenol red 0.9596 1.7325 1.7898 0.8234 0.3330 1.4941 1.2049 0.9533 1.6120 0.8183 1.1083 1.1015 0.1756 1.0405 0.6011 0.2911 1.2354 1.5725 1.7317 0.8651 0.3223 1.4712 0.7305 1.7155 1.0600 0.2604 1.0097 0.5068 0.2433 0.9903 phenol sulfate 5.5193 2.9487 0.0507 0.3227 1.2008 3.1150 1.7600 5.1886 1.2454 0.9876 0.0680 0.9859 0.1824 0.3463 0.6471 1.3137 1.6490 2.8960 0.0668 0.3513 1.1005 3.4728 0.9861 2.3704 0.0660 0.1915 0.3089 0.5164 1.0124 1.3654 phenylacetylglycine 0.5991 5.1873 1.1485 0.4633 1.0201 0.6913 3.3216 0.5622 0.5961 1.0731 0.7943 0.4915 0.5988 1.0154 0.4284 4.1314 1.5152 4.6607 1.2605 0.5221 0.9971 0.7541 1.0335 3.3968 0.8149 0.4054 1.0029 0.3261 3.4411 1.2333 phenylalanine 0.8651 1.1562 1.0278 0.5385 0.8741 1.8112 0.8150 0.8327 0.8491 1.8873 1.3554 0.7198 1.0856 1.4079 1.0042 0.7295 1.2972 0.9684 0.9958 0.5625 0.8755 1.7760 1.7805 0.6834 1.3590 1.5625 1.4082 0.7500 0.7124 1.2488 phenylalanylalanine 0.1187 0.4732 0.1187 0.1187 0.1187 3.0217 0.5656 0.1187 0.9418 1.7624 1.3022 0.5066 1.2502 3.5957 0.3710 1.6575 0.7626 0.3732 0.1187 0.1187 0.1187 2.4431 2.3782 0.6127 0.7336 1.0582 3.4188 0.1187 1.4547 0.6681 phenylalanylglycine 0.3615 0.6167 0.1673 0.0579 0.2465 1.7904 1.1191 0.3477 1.0112 2.4034 1.3057 0.6579 1.2156 2.8813 0.9175 1.1427 1.0416 0.7300 0.1498 0.1043 0.2474 1.7710 2.3865 1.3379 1.0368 0.9888 3.1018 0.1483 1.2604 0.7787 phenyllactate (PLA) 1.2838 1.3959 39.3492 0.2418 1.6087 0.5941 0.5097 1.4677 0.6191 1.6255 0.5907 0.5035 0.4685 5.2236 0.4829 0.9681 7.1639 1.0750 38.4517 0.2751 1.9410 0.5359 1.7586 1.0319 0.7557 0.7735 4.2878 0.3175 0.7913 6.2115 phosphate 0.9800 1.5451 1.0605 0.8138 1.3919 0.8152 0.8227 1.5162 1.2639 0.9132 0.5781 1.0780 0.7666 1.0472 1.2948 0.6715 1.2297 1.4760 1.0200 0.8534 1.3154 0.7658 0.9073 0.8964 0.5532 0.8495 1.0588 1.1693 0.5746 1.0253 phosphoenolpyruvate (PEP) 1.3021 0.5305 3.1723 0.4368 5.9327 1.0000 0.1251 0.9203 0.5928 1.0911 1.1303 0.4484 1.0069 0.2654 2.4251 1.9838 0.1193 0.4370 2.0974 0.5116 1.9010 0.6640 0.3924 1.3971 1.6801 1.1092 0.1095 0.4410 1.4265 0.1095 phosphoethanolamine 27.0849 0.4283 13.8391 0.1437 0.1313 0.1307 1.1854 27.6599 6.0248 0.2510 2.3966 4.8659 2.5417 0.2029 50.4263 0.0145 1.2377 0.3123 13.4692 0.2024 0.1613 0.1028 0.2080 0.7292 1.1431 1.9599 0.1843 41.9313 0.0145 1.0000 phosphopantetheine 0.6156 1.0926 0.2590 1.0599 2.1004 2.8846 1.0323 0.8018 8.9271 0.9677 0.4202 6.6946 0.5190 0.4892 1.1993 0.7680 4.3382 1.5989 0.4050 1.4784 1.5356 1.8444 0.8294 2.0178 0.4494 0.4575 0.9024 0.6421 0.6310 3.5352 phosphothreonine 0.4212 0.4212 0.4212 0.4212 0.4212 0.7261 0.4212 0.4212 1.3401 3.6960 1.2555 1.0332 2.2399 1.9785 0.4212 0.9668 0.4212 0.4212 0.6363 0.6960 0.9365 0.7883 2.5027 0.4212 0.5420 2.4050 1.6867 0.4212 0.8593 0.4212 phytosphingosine 0.8208 1.5317 0.4006 0.8215 0.3074 1.0700 0.6995 1.0042 0.9553 0.4306 1.6630 0.7901 1.3698 4.5095 9.4482 0.4681 3.4192 1.4443 0.4839 0.8267 0.3674 0.9958 0.2812 1.0851 1.5267 1.2265 4.3502 8.9310 0.4093 3.0535 pipecolate 0.7562 1.8931 1.7249 0.4734 1.5273 7.6470 0.6072 1.3476 1.0166 0.7167 0.3431 0.6196 2.1849 1.3296 0.6432 0.5680 1.6399 0.9834 1.4373 0.7622 1.7089 7.4104 0.6489 0.5922 0.4148 2.1863 1.2879 0.5111 0.4782 1.0984 pro-hydroxy-pro 2.2499 1.9427 12.6522 0.6790 1.0897 1.3599 1.3413 2.2106 0.9013 0.2734 0.3747 0.7614 0.7043 0.7458 5.7079 0.3361 1.9152 1.7121 12.3918 0.8318 0.9103 1.2848 0.2762 1.6811 0.1911 0.4675 0.4828 5.1077 0.3978 1.4701 proline 1.7310 2.1974 2.2122 0.7346 1.3222 0.5733 0.7583 1.7828 2.1060 1.3011 0.6500 1.6716 0.6419 0.9678 1.1168 0.8639 1.1681 1.8156 2.1872 0.7588 1.4062 0.5584 1.2150 0.5847 0.7222 0.6342 0.9882 0.9093 0.7631 1.0118 prolylglycine 0.0457 0.3594 0.2959 0.1586 1.0059 3.2026 0.4943 0.0457 1.7119 1.5400 1.1423 1.3290 1.2510 3.7145 0.4751 0.9746 1.1068 0.3924 0.3707 0.1636 0.7737 2.5321 1.7082 0.4221 0.6016 1.0000 3.9687 0.1376 1.3090 1.1744 propionylcarnitine (C3) 0.9933 0.9631 1.0822 2.1211 3.2233 1.0067 0.4722 1.0539 0.8483 0.1496 3.2267 0.5704 0.0257 1.4199 1.1271 0.2187 0.9227 0.8025 0.9872 2.4489 3.4414 1.0797 0.1211 1.0176 4.6026 0.0346 1.3572 1.3078 0.1829 0.7227 propionyl CoA 0.3719 0.3719 1.4958 1.6353 0.5526 0.3719 1.2864 0.3719 0.3719 0.3719 0.4196 0.3719 0.3719 0.3719 0.3719 0.3719 0.6027 0.3719 1.0000 1.9420 0.6666 0.5804 0.3719 1.3209 2.3091 0.5744 0.3719 1.4629 0.3719 0.3719 prostaglandin E2 15.2918 0.0738 0.0738 0.0738 0.0738 0.2168 0.0947 14.1639 1.8589 0.0738 0.0738 2.0648 0.0738 0.7814 1.2186 0.0738 0.0738 0.2091 0.0738 0.0738 0.0738 0.1770 0.0738 0.2424 0.0738 0.0738 1.8785 15.1896 0.0738 0.0738 prostaglandin F2alpha 19.9578 0.7475 0.0304 0.0304 0.0304 0.0304 0.0304 15.8754 5.8304 0.0304 0.0304 6.3634 0.0304 0.5058 4.1055 0.0304 0.1149 1.2525 0.0304 0.0304 0.0304 0.0770 0.0304 0.0304 0.0304 0.0304 0.7332 15.7106 0.0304 0.1656 pseudouridine 0.9990 1.1897 2.5887 1.3777 1.0862 1.0598 0.8752 0.7715 1.0782 1.2634 0.9171 1.0214 0.7029 0.8619 0.3887 0.3294 1.4381 0.9864 1.8884 1.0010 0.6830 0.7682 1.7136 0.9368 1.3862 0.8747 1.5081 0.7275 0.4323 1.5033 pterin 0.9008 1.0023 3.7960 0.2024 1.5385 0.2024 0.6094 1.6995 0.2024 0.2024 1.2784 0.2024 0.4661 1.7813 0.2024 0.2024 1.4378 0.8773 2.0920 0.2024 0.8757 0.2024 0.2024 0.6979 1.0000 0.8815 1.4627 0.2024 0.2024 0.7544 putrescine 0.7916 1.7903 0.6917 0.1180 3.4182 0.9970 1.1409 0.8528 1.2883 0.7622 0.1728 1.0030 2.7324 0.1074 5.1763 1.9687 2.8039 1.4775 0.6303 0.1149 3.6452 0.9532 0.8272 0.7730 0.2597 2.4008 0.1122 4.1443 1.8174 2.5787 pyridoxal 0.9444 1.2390 0.3149 0.7523 1.1752 1.5855 0.6444 0.9921 2.0859 1.0429 0.7938 1.7147 0.4371 2.4060 1.9893 0.4990 1.3180 0.8116 0.2544 0.6975 0.5176 1.4743 1.0608 0.3772 1.2593 0.4755 2.6219 1.0079 0.4335 1.2934 pyridoxal phosphate 1.1328 0.6103 1.1137 0.5823 3.5944 0.2470 0.8560 1.6043 1.3986 1.5823 0.5010 0.8543 0.4756 1.2435 1.8440 1.8987 0.8308 0.4748 1.2953 0.7017 4.1605 0.3749 1.1500 1.2885 0.2108 0.8457 0.8863 1.7028 1.6070 0.4374 pyridoxamine 1.4292 1.0314 0.8076 0.9711 1.1679 1.2274 0.7120 1.4020 2.3231 0.8890 0.7878 2.2431 0.4561 2.1952 1.8765 0.7695 1.1995 0.8911 0.2984 1.0150 0.5883 1.0105 0.8675 0.4402 0.9895 0.3738 2.5380 1.0324 0.6145 1.0162 pyridoxamine phosphate 3.7774 1.2301 1.1105 0.4844 1.5154 0.5320 0.9220 3.9185 2.3270 1.0694 0.9428 1.7597 0.5359 1.3050 1.0780 0.9134 0.9392 1.1759 0.7691 0.5509 1.5420 0.4468 0.8167 0.9374 0.8176 0.8277 1.1859 1.1713 0.7440 1.0572 pyridoxate 0.9925 4.7472 0.7292 0.5669 2.7897 0.5202 0.2537 1.1679 0.7338 1.1128 0.9401 0.5724 1.1835 2.0538 2.6140 1.0000 1.7513 3.5065 0.3486 0.6347 1.3779 0.5758 0.9642 0.2537 0.9371 0.9388 1.6691 2.8959 1.1276 1.5515 pyridoxine (Vitamin B6) 0.2784 0.0996 0.0996 0.3213 0.0996 2.8617 0.0996 0.6760 1.0000 4.0444 13.5692 0.5644 2.8833 21.8863 0.0996 0.3562 0.2992 0.0996 0.0996 0.3538 0.0996 3.0383 2.0817 0.0996 8.0325 1.3763 16.0159 0.0996 0.1889 0.2716 pyroglutamine* 1.5608 0.6325 2.4944 0.7965 1.6618 1.1982 0.6149 1.6420 1.0406 1.4413 0.9800 0.9062 1.0834 0.5047 0.9625 0.4079 1.2814 0.6372 2.3485 0.9167 1.7411 1.2330 1.1836 0.7663 0.9452 1.0962 0.3516 0.8059 0.3770 1.0200 pyruvate 0.8065 0.3401 1.0042 0.6534 0.8574 0.2593 2.1743 0.7421 1.0755 1.5721 1.2823 0.8631 1.4860 1.2991 0.9777 1.1753 1.6326 0.2257 0.8890 0.8466 1.3851 0.2422 1.0158 2.4889 0.9958 2.1512 1.2509 0.9292 0.9039 1.5572 quinate 0.4724 0.4724 0.4724 0.7603 0.8700 0.5412 0.4724 0.4724 4.7400 0.8735 2.3516 0.4724 0.5243 0.4724 4.3699 0.4724 0.4724 3.4645 0.4724 1.0000 8.5407 0.4724 0.4724 0.4724 0.4724 0.4724 8.5023 0.4724 0.4724 0.4724 retinol (Vitamin A) 1.1324 0.6426 0.1952 1.1195 0.5279 0.8234 1.1438 1.4313 1.9100 1.8723 1.8226 1.5064 0.6254 1.0850 0.6616 1.4845 0.8884 0.5621 0.1861 1.3811 0.5030 0.8954 1.6577 0.9662 1.3539 0.4639 1.0338 0.6321 1.2520 0.9067 ribitol 2.5849 0.2870 5.9159 1.3141 1.2845 0.6607 0.8878 2.3472 10.2430 0.9204 1.2973 8.8408 2.3569 1.0193 0.5860 0.8082 0.3867 0.2663 5.8160 1.3578 1.3346 0.5071 0.8556 0.8434 1.3840 1.8206 0.9807 0.5043 0.7912 0.3452 riboflavin (Vitamin B2) 0.5843 0.5843 0.5843 0.5843 1.0000 0.5843 1.2142 0.5843 0.5843 0.5843 0.5843 0.5843 0.5843 0.8907 0.5843 0.5843 0.5843 0.5843 0.5843 0.5843 0.5843 0.5843 0.5843 1.3879 0.5843 0.5843 0.5843 0.5843 0.5843 0.5843 ribonate 1.1091 4.3630 2.4697 0.4725 1.1594 2.5567 0.2679 0.9529 1.4605 1.0471 0.7547 1.1466 1.0957 1.6318 0.5219 0.2604 0.5503 2.9221 2.2940 0.5791 1.5024 2.3047 0.9517 0.2410 0.9016 0.8088 1.5869 0.4488 0.1781 0.5748 ribose 3.9007 2.1738 0.4805 0.8666 1.2385 1.4879 1.7148 2.5157 1.3756 0.4291 6.9414 1.2489 0.7028 0.7895 1.9118 0.4091 0.7305 1.0163 0.2401 0.6675 0.9774 1.0136 0.4553 2.0465 9.6732 0.8467 1.0546 0.7133 0.6958 0.9864 ribose 1-phosphate 1.1734 1.0110 0.2746 0.8497 0.5205 3.0806 0.4591 1.0255 0.8531 1.5706 1.1144 0.7319 0.6992 1.4337 0.7096 0.9890 1.0927 0.6587 0.2372 1.1234 1.0173 3.0740 1.8381 0.5971 1.6538 0.9505 1.7237 0.4650 1.0841 0.8148 ribose 5-phosphate 0.7739 2.2491 1.4176 0.6728 0.9212 1.3943 0.8157 0.5981 1.1700 0.8391 9.6057 0.7762 2.0087 0.5267 3.5670 3.3250 0.7390 0.9975 0.8447 1.0025 0.9210 1.2706 0.7533 1.2439 11.6999 1.9869 0.2959 1.0099 1.9891 0.8564 ribulose/xylulose 0.2966 0.2966 0.2966 0.2966 1.0800 3.0946 0.5835 0.2966 0.2966 0.4709 6.2947 0.2966 0.5854 0.6965 2.7122 0.2966 0.2966 0.2966 0.2966 0.2966 0.2966 2.4143 0.7739 0.2966 12.2785 1.0000 0.2966 0.4146 1.0011 0.2966 ribulose/xylulose 5-phosphate 0.6392 2.5793 2.9460 0.1871 0.6193 1.7845 0.4238 0.4651 0.9700 0.8782 6.4288 0.6961 2.1070 0.4759 3.3630 1.3470 0.3280 1.0000 1.3136 0.1871 1.0539 1.2928 0.6227 0.5506 7.9610 2.7069 0.4588 1.0984 1.9968 0.3316 S-1-pyrroline-5-carboxylate 0.6831 2.9022 5.9322 1.0000 0.2003 0.2643 1.3082 0.6651 2.3820 5.9021 3.1676 1.0561 0.6715 1.3611 0.2003 1.1251 0.3772 0.3107 9.7849 1.1071 0.2003 1.2910 4.5088 0.8888 0.3378 0.6054 0.6484 0.2003 0.2530 0.2526 saccharopine 0.0923 0.0923 0.9317 0.0923 0.0923 98.9396 0.0923 0.0923 1.3139 1.2838 0.0923 1.0000 0.1325 21.6192 0.7207 0.0923 0.0923 0.0923 0.7648 0.0923 0.0923 100.9238 1.1807 0.0923 0.0923 0.2173 19.8894 0.5972 0.0923 0.0923 S-adenosylhomocysteine (SAH) 0.9478 2.5841 0.3036 1.2594 1.4925 1.5871 2.4075 0.6150 1.2019 0.9705 1.0295 0.9310 0.7639 0.7851 0.6927 0.6839 1.0928 1.9535 0.3197 1.1264 1.1988 1.3317 0.8955 2.4525 1.0394 1.5314 0.9355 0.8359 0.7578 0.7733 S-adenosylmethionine (SAM) 0.5232 0.6801 0.5019 0.5133 1.6825 1.0470 0.4845 0.5906 0.9874 1.6362 1.3476 0.7216 0.9961 1.1318 1.1731 0.7849 1.8418 0.6300 0.5684 0.6865 1.7750 1.0344 1.6274 0.4782 1.2657 1.2069 1.1046 1.0039 0.7084 1.6027 sarcosine 0.4298 0.4298 0.4298 0.4298 1.0940 0.8984 0.7981 0.4298 0.7696 0.4298 0.4298 0.4298 1.0000 1.2489 0.4298 0.4298 1.6530 1.0247 0.6709 0.4298 1.0105 1.1426 0.4298 0.4298 0.4298 0.9035 1.0055 0.4298 0.4298 0.9052 sedoheptulose 1.8601 0.7604 0.1107 0.1107 2.5483 1.1198 0.1107 1.7417 62.0771 0.5101 1.3760 51.4891 0.1107 0.7828 0.7389 0.9597 1.1861 0.5147 0.1107 0.1107 0.9944 0.7485 0.5498 0.2303 2.3127 0.2808 1.0056 0.1107 1.2263 1.2246 sedoheptulose-7-phosphate 0.4616 0.9851 1.4063 0.0721 2.5281 1.6874 0.2102 0.5578 1.4938 1.3123 0.8683 1.2762 1.0149 0.6055 1.4052 2.6198 1.9004 0.8995 0.9489 0.0851 1.7531 1.4157 1.2470 0.4685 0.8713 0.8666 0.7143 0.1912 1.6581 1.2940 serine 0.6612 1.3649 1.1202 0.3894 0.7055 1.1400 0.6293 0.5991 0.9346 1.8020 1.0681 0.7732 1.0131 1.3429 1.5418 0.7372 1.0131 1.1525 1.0578 0.4116 0.7795 1.1002 1.6220 0.4478 0.8777 0.4007 1.3266 1.2094 0.6773 0.9869 serotonin 0.5657 1.0000 1.1356 0.7446 1.3908 2.1697 0.7171 0.5883 0.3382 0.1979 0.1305 0.2702 2.4091 3.4786 1.8219 1.4693 0.0293 0.8733 1.1960 0.8289 1.2615 2.2695 0.1533 0.4621 0.2321 2.5873 3.3490 1.3754 1.3148 0.0293 S-lactoylglutathione 1.8712 1.3533 1.0144 0.7483 1.0000 0.2200 0.2200 1.2333 1.6484 0.9241 7.3163 0.6248 0.4816 0.2200 0.7688 4.4901 0.2200 0.2200 1.0054 0.4021 0.2200 0.2200 0.2773 0.2619 26.1837 0.9288 0.2200 0.2200 3.5961 0.2200 S-methylglutathione 0.4831 14.1333 0.4341 0.8610 0.9527 3.9946 1.0451 0.6742 1.7055 2.1766 0.6693 1.2049 1.2351 0.8491 1.5191 0.5742 1.9102 11.7116 0.5324 0.9421 1.0045 3.5717 1.3347 1.1212 0.5181 1.6633 0.8092 0.7685 0.3464 0.9955 S-methylmethionine 0.5142 0.5142 1.3618 1.0000 1.4109 0.7398 0.5142 0.5142 0.7877 0.7033 0.5142 0.5142 0.8607 0.5973 1.5021 0.5142 1.8488 0.5142 1.0003 1.3906 1.3104 0.7718 0.6495 0.5142 0.5142 0.5142 0.8386 1.3271 0.5142 1.3901 S-nitrosoglutathione (GSNO) 1.6661 3.6597 0.3261 0.5615 1.0268 0.6526 0.9089 0.9068 2.7800 1.2492 0.5381 2.1734 1.0673 0.8025 2.2881 0.3261 1.0625 4.5596 1.8283 0.7837 0.8609 0.6092 0.3261 1.0330 0.3261 0.7854 0.3261 0.6855 0.3261 1.0000 spermidine 0.5515 0.8660 0.9981 0.9574 0.7176 3.0494 1.4153 0.6384 1.0019 1.0162 0.7545 0.6899 1.1075 0.2277 0.5946 1.2706 1.5497 0.7160 1.0722 1.0333 0.6127 2.8422 0.9200 1.1770 1.0463 1.4367 0.2321 0.4372 1.0057 1.2851 sphinganine 2.0243 1.0797 0.8326 1.0069 0.3096 0.8750 0.9485 1.7790 0.4846 0.9931 1.2473 0.4088 1.6086 3.7326 1.7132 0.7665 5.9767 1.0584 0.8084 0.9904 0.3602 0.7658 0.7502 0.9591 1.0611 0.9477 4.3901 1.7386 1.1004 5.9140 "sphingomyelin (d17:2/16:0_ d18:2/15:0)*" 0.3984 0.3984 0.3984 1.1589 0.3984 1.2945 1.0528 0.3984 0.3984 0.7506 1.8055 0.3984 1.1245 0.3984 0.3984 0.4405 0.3984 0.3984 0.3991 1.0749 0.3984 1.0519 0.5646 0.8895 1.2366 0.9481 0.3984 0.7011 0.3984 0.3984 "sphingomyelin (d18:0/18:0_ d19:0/17:0)*" 1.2475 2.0980 0.0481 0.0481 1.3598 0.7125 1.7523 1.4181 0.1002 2.2343 0.6516 0.0953 0.5074 4.1678 0.2179 0.8954 3.4646 2.3768 0.0481 0.0481 1.2520 0.7089 1.9667 1.0000 0.3844 0.3112 4.0895 0.2100 0.8123 3.0206 "sphingomyelin (d18:0/20:0_ d16:0/22:0)*" 0.5480 1.8012 0.4376 0.1161 1.5766 1.0811 1.3119 0.5135 0.1161 2.5098 0.9577 0.0730 0.3624 5.4780 1.2650 0.8026 6.0061 1.7835 0.4918 0.1270 1.8520 1.0423 2.4860 0.8861 0.6790 0.3524 5.9304 1.1402 0.7850 5.5119 "sphingomyelin (d18:1/14:0_ d16:1/16:0)*" 0.7595 2.2601 0.7293 0.9806 1.2825 1.0402 1.6094 0.7577 0.3524 1.1228 0.9799 0.3060 0.7224 1.0088 1.5878 0.6956 1.0850 1.9987 0.7378 0.9912 1.3856 1.0107 1.0898 1.7129 0.9412 0.7319 1.0238 1.3197 0.5899 0.9578 "sphingomyelin (d18:1/15:0_ d16:1/17:0)*" 1.0893 1.3623 0.9980 1.2557 0.7997 0.6526 0.8864 1.1841 0.7608 1.2628 1.1569 0.6577 1.4251 0.4204 1.7148 0.6504 0.4191 1.2421 0.9820 1.4294 0.7775 0.6468 1.1390 1.0651 1.0020 1.4799 0.3674 1.3910 0.5730 0.3209 "sphingomyelin (d18:1/17:0_ d17:1/18:0_ d19:1/16:0)" 2.0652 1.2230 0.6860 0.8493 2.1003 0.1575 2.8616 2.0472 0.9035 0.7069 1.5929 0.7531 1.1850 0.1575 1.1526 0.3915 0.2324 1.5514 0.7190 0.8449 2.2349 0.1575 0.6544 2.4088 1.4844 1.0963 0.1575 0.9037 0.3907 0.1575 "sphingomyelin (d18:1/18:1_ d18:2/18:0)" 1.4233 0.9992 0.5838 1.6238 1.5011 1.3330 1.0008 1.3320 3.0731 0.5351 0.5600 2.6953 1.1371 0.5312 0.6214 1.9898 0.5593 0.7870 0.5056 1.5016 1.7719 1.3565 0.6704 0.8776 0.5415 1.1119 0.5789 0.6001 1.7823 0.7580 "sphingomyelin (d18:1/19:0_ d19:1/18:0)*" 0.2750 0.2205 0.2205 0.3577 1.8401 0.3525 1.5502 0.5953 1.0103 0.4887 0.4638 0.9897 0.3698 1.9877 1.2977 1.7541 1.9387 1.2245 0.2205 0.4012 1.4927 0.3285 0.2205 1.2784 0.2205 0.2812 1.4768 0.7855 1.4306 1.1256 "sphingomyelin (d18:1/20:0_ d16:1/22:0)*" 0.7284 3.8726 0.2304 0.2536 1.5870 0.7762 1.0782 0.7544 1.1424 0.6097 0.4667 1.0040 0.2109 4.0222 1.5871 2.4820 4.7559 4.2867 0.2460 0.2736 1.6053 0.7729 0.5255 0.9960 0.3596 0.1921 4.3448 1.3258 2.3739 4.5057 "sphingomyelin (d18:1/20:1_ d18:2/20:0)*" 0.4459 1.9824 0.1783 0.2710 1.6982 0.9787 0.1783 0.1783 1.0553 0.3156 0.1783 0.9200 0.1783 2.8825 1.0213 3.0121 1.6324 1.9990 0.1783 0.2076 1.8578 0.7495 0.1783 0.6063 0.3000 0.1783 2.8231 0.6367 2.7037 0.1783 "sphingomyelin (d18:1/21:0_ d17:1/22:0_ d16:1/23:0)*" 0.3388 1.5971 0.4787 0.4723 1.0052 0.6522 1.2840 0.2802 1.4419 0.7024 0.9444 1.0095 0.3523 1.0684 1.5261 1.0745 1.3991 1.3127 0.5682 0.5082 1.1158 0.6244 0.6832 1.4920 0.7030 0.3385 1.0928 1.4077 0.9948 1.4057 "sphingomyelin (d18:1/22:1_ d18:2/22:0_ d16:1/24:1)*" 0.5987 2.2083 0.4872 0.5246 0.5623 1.4701 1.3328 0.5865 1.3050 1.1138 0.3719 1.1333 0.3153 1.5792 0.7480 2.5506 3.4086 1.6422 0.4960 0.5001 0.5976 1.4328 0.9658 1.0342 0.4142 0.3288 1.6882 0.6031 2.2014 3.4925 "sphingomyelin (d18:1/22:2_ d18:2/22:1_ d16:1/24:2)*" 0.2727 0.2727 1.0006 0.7131 0.2727 1.3922 1.6549 0.2727 0.7188 1.1924 0.3623 0.2727 0.2727 0.8604 0.5300 2.0385 2.7548 0.9644 0.8900 0.9994 0.2727 1.2056 1.5957 1.3930 0.2727 0.3372 0.2727 0.4497 1.6205 2.6823 "sphingomyelin (d18:1/24:1_ d18:2/24:0)*" 0.7143 1.9642 0.4704 0.5656 1.4233 1.7118 1.5736 0.8037 0.8387 1.4399 0.8206 0.6420 0.6668 0.9992 0.3289 1.4482 1.0008 2.0183 0.4772 0.5707 1.5747 1.6553 1.6128 1.3649 0.8251 0.6384 1.1593 0.2693 1.2764 1.0239 "sphingomyelin (d18:1/25:0_ d19:0/24:1_ d20:1/23:0_ d19:1/24:0)*" 1.5711 1.0343 0.9034 1.9373 1.1279 0.2217 0.7865 1.9018 1.1982 1.4184 0.6568 0.9384 0.5476 0.2606 3.0396 0.9827 1.3108 1.3588 1.0173 2.1165 0.6669 0.2721 1.0954 1.5273 0.3955 0.4950 0.2239 2.8249 0.9576 0.8617 "sphingomyelin (d18:2/14:0_ d18:1/14:1)*" 0.5138 1.1454 0.5448 1.1658 1.0005 1.6385 1.2755 0.5691 0.8765 0.6045 1.3312 0.5758 0.5831 1.2155 0.9995 1.0734 2.1234 0.9656 0.5943 1.2261 1.2118 1.6876 0.5556 1.9391 0.9646 0.5958 1.1953 0.7484 0.9316 1.8632 "sphingomyelin (d18:2/16:0_ d18:1/16:1)*" 1.2445 1.6772 0.7187 1.2228 0.7519 1.2225 0.8286 1.2724 0.5492 1.2783 1.1745 0.4609 1.4683 0.3747 0.9894 0.8872 0.2216 1.5084 0.7328 1.2233 0.8222 1.2138 1.2455 1.0106 1.1347 1.4913 0.3766 0.7944 0.7620 0.2056 "sphingomyelin (d18:2/23:0_ d18:1/23:1_ d17:1/24:1)*" 0.4040 1.7153 0.4441 0.8559 0.8715 1.8202 2.0467 0.3444 1.0105 1.7249 1.1414 0.6985 0.4325 0.8660 0.4835 1.5559 1.1684 1.2890 0.4856 0.8376 1.0037 1.8062 1.8421 2.1791 0.9385 0.4076 0.9963 0.4144 1.3762 1.2320 sphingomyelin (d18:2/23:1)* 0.6166 0.3680 0.7180 0.5390 0.3680 1.3333 2.3803 0.7923 1.3504 1.8505 0.6832 1.0838 0.7063 0.3680 0.5715 3.7734 2.3637 1.0000 0.7182 0.7258 0.3680 1.4273 1.3798 2.9192 0.4573 0.6353 0.3680 0.3680 3.2546 1.1384 "sphingomyelin (d18:2/24:1_ d18:1/24:2)*" 0.6652 1.4059 0.4703 0.6194 1.0050 2.2434 1.7969 0.6817 0.8847 1.4135 0.8576 0.7268 0.6635 1.3765 0.2939 2.0976 1.4826 1.3579 0.4761 0.6676 0.9950 2.2044 1.3179 1.8089 0.7137 0.6312 1.4405 0.2362 1.8929 1.2728 sphingomyelin (d18:2/24:2)* 0.8002 0.6822 0.5515 0.8363 1.6310 1.0557 2.0748 0.8662 1.7854 1.4421 0.9672 1.1896 0.7763 0.4694 0.4694 2.5775 0.6808 0.5361 0.9068 0.9684 1.5668 1.1033 1.0716 2.0470 0.8218 1.0316 0.4694 0.4694 2.1410 0.4694 sphingosine 0.5237 1.8309 0.1132 0.9795 0.1814 1.4072 0.5649 0.6441 0.6512 0.4220 1.1286 0.5497 1.1313 2.3211 2.0348 0.2863 2.3326 1.5787 0.1738 1.0244 0.2312 1.3074 0.2285 0.7845 1.2068 1.0205 2.5654 1.6871 0.2298 2.2878 sphingosine 1-phosphate 0.4257 0.4257 0.9572 0.4257 0.4257 0.4257 0.4257 0.4257 0.4257 0.5468 0.9672 0.4257 4.8338 2.1261 0.4257 1.0328 0.4257 0.4257 0.4257 0.4257 0.4257 0.4257 0.4257 0.4257 0.5946 3.1331 1.2464 1.1475 0.7292 0.4257 stachydrine 1.9352 1.2383 1.3582 1.1809 1.7484 1.0912 0.6080 2.1499 1.3565 0.8336 0.7373 1.1600 0.4885 0.8271 1.7620 0.6633 0.6613 0.8879 1.2392 0.7985 2.1483 1.2426 0.4104 0.6915 0.7298 0.5386 1.0000 1.0282 0.7355 0.4104 stearate (18:0) 1.3759 1.7949 1.0248 1.1768 1.2929 0.8294 1.1677 1.3905 1.1290 0.8668 0.7695 1.0103 0.7342 0.7851 1.3645 0.6257 0.8273 1.9435 0.9897 1.1339 1.0545 0.7696 0.9600 1.0132 0.8881 0.9200 0.8270 1.0556 0.4802 0.8235 stearidonate (18:4n3) 0.3154 1.2706 0.3154 0.9454 0.6066 0.4478 5.8151 0.3154 1.1831 0.3154 0.3154 0.6754 0.3154 0.3154 3.8410 0.3154 1.0546 0.3154 0.3154 0.5841 0.3154 0.4425 0.3154 4.1660 0.3154 0.3154 0.9045 1.8657 0.3154 1.6551 stearoylcarnitine (C18) 2.5485 0.5545 0.3732 1.8490 1.3189 9.0597 0.4527 3.1819 2.8407 0.2366 1.3765 1.7482 0.0388 0.5774 3.8018 1.0582 0.5098 0.5247 0.2836 2.2202 1.9435 9.7117 0.1499 0.9418 1.0629 0.0312 0.4082 1.8878 0.7938 0.3125 stearoylcholine* 0.3607 0.5155 0.3607 0.3607 0.3607 9.6389 0.3607 0.3607 1.1057 0.3607 0.4566 0.8191 0.3607 0.8943 5.2660 0.3607 0.3607 0.3607 0.3607 0.3607 0.3607 9.3199 0.3607 0.3607 0.3607 0.3607 0.3607 4.7555 0.3607 0.3607 stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [1]* 1.3591 1.1126 0.9617 1.5251 4.7628 0.2096 0.9313 1.5058 1.7950 1.3738 0.6259 1.5148 0.3392 0.2113 1.7652 0.1686 0.7588 1.1373 0.9706 1.8429 6.0842 0.0634 0.0634 1.0294 0.3355 0.3511 0.0634 1.7168 0.1239 0.6730 stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [2]* 1.0857 0.7501 0.9143 1.9562 3.1535 0.5537 1.3216 1.0904 1.4907 1.6245 1.2107 1.3075 0.7069 0.2786 1.2834 0.3967 0.7927 0.5525 0.9035 2.0187 3.5823 0.5765 1.3799 0.8418 1.0935 0.7730 0.3195 1.4739 0.3497 0.7950 stearoyl ethanolamide 0.9887 1.8400 2.6125 0.8415 0.5772 1.3207 2.3346 1.0113 2.6392 0.8320 2.7613 2.4608 1.8692 0.7076 0.6722 0.7169 0.6417 1.6010 2.5312 0.8436 0.5245 1.1688 0.8398 2.1126 2.1258 2.1703 0.6956 0.8487 0.6279 0.6408 stearoyl-linolenoyl-glycerol (18:0/18:3) [2]* 0.6050 2.3446 0.0836 1.3566 0.9178 3.3154 0.0836 0.6774 0.7918 2.4843 1.3079 0.6478 0.3801 7.8073 0.7496 1.0141 9.0124 1.9705 0.0892 1.5232 0.9567 3.7910 2.1986 1.0000 0.6165 0.2040 8.4301 0.6544 0.9252 7.1400 stearoyl-linoleoyl-glycerol (18:0/18:2) [2]* 1.0639 3.7502 1.0517 1.9686 2.1756 1.0415 1.1587 1.1719 0.8661 0.5841 0.6012 0.7965 0.8474 0.7541 1.3085 0.3753 0.6100 2.2496 0.9229 1.5670 2.4143 0.8160 0.5650 0.8005 0.9585 1.1030 1.2633 1.4256 0.3175 0.4338 stearoyl sphingomyelin (d18:1/18:0) 1.3726 1.8113 0.3213 0.4920 1.8249 0.5779 0.9809 1.3319 1.9687 0.4431 0.3657 1.8179 1.0191 1.4421 0.8092 1.1134 1.9101 1.7580 0.3414 0.4808 2.0173 0.5566 0.4222 0.6920 0.3787 0.9120 1.6458 0.6388 1.0649 1.7024 succinate 0.7443 1.1563 1.1709 0.9717 0.7651 0.7162 1.5631 0.9801 1.7867 0.6917 1.3709 1.3167 2.1735 1.3463 0.4602 4.9406 1.0199 0.9627 0.9637 1.1755 0.7770 0.7248 0.6482 1.2633 0.7190 1.8868 1.1411 0.4267 4.2302 0.7830 succinylcarnitine (C4-DC) 2.0871 0.0550 0.6171 1.6122 0.5956 4.5235 0.6082 2.1583 6.2849 1.1481 0.6638 4.3546 0.0771 0.0550 1.9065 0.0550 0.4733 0.0550 0.5295 1.7010 0.5850 4.2107 1.1136 0.7336 0.8864 0.0550 0.0550 1.6675 0.0550 0.3632 succinyl CoA 0.4010 0.4010 2.2197 0.4010 0.4010 0.4010 0.6657 0.4010 0.4010 1.2187 0.4010 0.4010 0.4010 0.6062 0.4010 1.3202 0.4010 0.4010 0.4010 0.4010 0.4010 0.4010 0.4010 0.4010 0.4010 0.4010 0.7813 0.4010 1.5794 0.4010 sulfate* 0.8239 10.4151 10.3668 0.3338 0.3338 0.3338 2.3176 0.6604 0.3338 0.3338 0.7614 0.3338 0.3338 0.3338 0.4758 0.3338 2.5842 9.4165 10.2456 0.3338 0.3338 0.3338 0.3338 1.0000 0.5518 0.3338 0.3338 0.5859 0.3338 1.1982 taurine 1.1114 0.8868 6.0382 2.9364 3.4614 1.6936 1.6581 1.0345 0.8236 0.9603 0.2413 0.7188 3.5355 0.2598 1.0741 0.2609 0.1246 0.6309 5.1705 3.1072 4.1972 1.5724 0.7546 2.1408 0.3176 3.2022 0.2554 0.9655 0.2228 0.1109 taurochenodeoxycholate 0.1696 0.1696 0.1696 0.1696 0.1696 1.3736 0.1696 0.1696 0.1696 0.1696 0.1696 0.1696 0.1696 0.1696 0.1696 0.1696 0.1696 0.1696 0.1696 0.1696 0.1696 1.1914 0.1696 0.8086 0.1696 0.1696 0.1696 0.1696 0.1696 0.1696 taurocholate 0.1264 0.1264 1.2003 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 1.0000 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 0.1264 taurodeoxycholate 0.2162 0.2162 3.4340 0.2162 0.2162 1.0000 0.2162 0.2162 0.2162 0.2162 0.2162 0.2162 0.2162 0.2162 0.2162 0.2162 0.2162 0.2162 2.6816 0.2162 0.2162 0.5690 0.2162 0.2162 0.2162 0.2162 0.2162 0.2162 0.2162 0.2162 tetracosadienoylcarnitine (C24:2)* 0.2573 0.2573 0.2573 1.8644 1.0918 98.8005 0.3823 0.2573 0.5344 0.2573 1.2409 0.2573 0.2573 7.8470 0.5168 0.4075 0.6868 0.2573 0.2573 1.9086 1.1521 99.8681 0.2573 0.8903 1.0000 0.2573 7.1381 0.2573 0.4151 0.4975 thiamin diphosphate 1.6080 0.9099 0.1473 0.8090 1.0862 0.9319 0.2758 1.4185 1.0675 1.8686 1.2450 0.6731 1.3055 1.2218 1.0884 0.9636 1.0364 0.7056 0.1351 0.5736 1.0686 0.7101 1.3768 0.4230 1.4599 1.9124 1.0721 0.9283 0.8743 0.6705 thiamin monophosphate 0.4044 0.4044 0.4044 0.4044 1.1250 1.4682 0.4044 0.4044 0.4044 0.4044 0.6302 0.4044 0.6514 2.2130 1.0321 0.4044 5.0036 0.4044 0.4044 0.6687 1.0000 2.0372 0.4044 0.7835 0.7223 0.8273 2.1956 0.4255 0.4044 3.1120 thiamin (Vitamin B1) 1.2877 0.9541 0.1113 0.5847 1.1194 2.8331 0.7900 1.0459 0.4048 1.3243 1.5243 0.3625 0.3957 2.5850 1.3922 0.7388 6.0255 0.8049 0.1246 0.5852 0.8918 2.7184 1.3593 0.7641 1.4321 0.5677 2.7408 1.1861 0.6781 5.7196 thioproline 1.1092 1.8196 2.1765 0.3030 0.9798 1.3441 0.4739 1.3285 0.6665 0.7748 0.1742 0.6504 1.0202 1.2032 1.4131 0.5096 1.3399 1.6807 1.4537 0.3193 0.9334 1.1987 0.7077 0.4265 0.1827 0.7667 1.2318 1.2674 0.4535 1.0438 threonate 1.9952 0.8698 2.5126 0.8238 1.8719 0.3759 0.7664 1.9453 1.4264 1.0624 0.7778 0.4245 0.5186 2.0506 1.5782 0.3803 1.6779 0.6812 0.3759 1.2799 1.0232 0.3759 0.3759 0.5356 0.4696 1.0000 0.4845 1.3872 0.4035 1.3658 threonine 0.9604 0.9840 1.1395 0.7412 0.9071 3.5233 0.6616 0.9760 1.2063 4.3937 2.4902 0.9719 1.0160 3.8011 1.6427 0.7470 0.9585 0.7932 1.0707 0.7903 0.9412 3.5079 3.9958 0.4203 2.2586 1.8756 3.5021 1.4298 0.7363 0.9812 threonylphenylalanine 0.1238 0.2885 0.1238 0.1238 0.1238 2.4704 0.1419 0.1238 0.1918 0.5735 1.8829 0.1238 1.0356 1.2188 0.6395 1.1037 1.2955 0.4454 0.1238 0.1238 0.1238 2.4997 0.6374 0.2412 1.1961 0.8598 1.1375 0.1238 1.0000 1.4827 thymidine 0.9048 1.3816 0.1018 0.1405 16.6227 0.5875 0.6190 0.5378 0.8031 0.1018 1.2411 1.0952 0.1018 6.2670 3.4266 0.1679 6.3762 0.3213 0.1018 0.1018 7.1315 0.3358 0.1210 16.8372 2.6627 0.4470 11.2910 1.4638 0.6618 3.3899 thymidine 5^-monophosphate 1.6147 1.2097 0.1616 1.0343 0.3846 0.7820 1.9667 1.4146 2.7830 0.8129 0.6874 2.0725 0.6453 2.6269 2.1140 0.6821 2.8639 0.9614 0.1143 0.9657 0.6442 0.9144 1.1749 0.2379 0.7462 1.2024 2.5728 2.4176 0.7427 2.4010 thymine 0.2907 0.4449 11.6541 0.9749 1.2707 5.1999 0.4402 0.2907 0.8184 1.2725 1.9689 0.5385 0.2907 4.3761 1.0251 0.4382 0.7549 0.4362 9.4273 0.6045 0.7553 2.8764 1.5593 0.2907 2.4052 0.2907 4.9005 1.3416 0.4555 0.6447 tiglylcarnitine (C5:1-DC) 8.6441 0.1953 5.8702 19.1188 1.1484 1.0660 0.7939 8.8165 1.4901 0.5923 5.6233 0.9106 0.2624 0.8239 9.5434 0.1953 0.5501 0.1953 5.6747 20.4548 1.0000 0.9731 0.4814 0.7541 7.4311 0.1953 0.7748 8.9116 0.2749 0.7807 trans-4-hydroxyproline 1.5957 1.0129 2.0169 0.8962 1.1489 0.1909 0.4155 1.6986 1.5084 0.3140 0.1621 1.3085 0.7574 0.1902 2.0101 1.0655 1.9723 1.0320 1.9007 0.9402 1.1308 0.1711 0.2633 0.2968 0.1291 0.3206 0.1343 1.8181 0.9871 1.7758 tricosanoyl sphingomyelin (d18:1/23:0)* 0.9798 3.1281 0.3455 0.5493 1.9899 0.6557 1.2698 1.1330 1.5269 0.8850 1.6010 1.1370 1.4231 0.4622 1.4055 0.5167 0.6437 4.1367 0.4498 0.6798 1.8306 0.6871 0.8537 1.7771 1.0202 1.1856 0.5154 1.2513 0.5533 0.6245 trigonelline (N^-methylnicotinate) 2.4349 2.7575 0.4938 1.9269 1.6866 3.5843 1.3243 2.4245 0.9785 0.4739 0.8778 0.9268 2.5111 0.6382 0.8084 0.9505 0.4393 2.0906 0.5323 1.9984 1.5096 3.2416 0.4246 1.0905 1.0215 2.3035 0.7489 0.8257 0.8522 0.4150 trimethylamine N-oxide 0.3209 2.0873 1.2147 0.5175 2.4284 0.4063 0.3209 0.3209 1.1403 0.3209 0.3209 0.3209 0.3209 0.5429 0.3209 0.3209 0.3209 0.3209 1.4397 1.0240 2.3801 0.3209 0.3209 0.4892 0.3209 1.0000 0.9185 0.3209 0.8248 0.3209 tryptamine 0.3164 0.3164 0.3164 0.3164 0.3164 1.4796 0.3164 0.3164 0.3164 0.3832 0.5061 0.4320 0.3922 0.7725 0.3164 0.3164 0.3164 0.3164 0.3164 0.3164 0.3164 0.4231 1.6233 0.3164 1.6406 2.5694 1.8121 1.4863 1.2275 0.3164 tryptophan 0.9425 0.9720 0.8146 0.5934 1.0013 2.2178 0.9987 0.8719 0.8174 2.0123 1.5984 0.7073 1.2916 1.2656 1.2790 0.8285 1.5096 0.7646 0.8323 0.5837 0.9199 2.1970 1.8878 0.7272 1.5501 2.0182 1.3940 1.0313 0.7719 1.4132 tryptophan betaine 0.6111 0.6111 0.6111 0.6111 0.6111 1.3920 0.9331 0.6111 0.6111 0.6111 0.6111 0.6111 0.6111 0.6111 0.6111 0.6111 0.6111 0.6111 0.6111 1.0669 0.6111 1.1288 0.6111 0.8324 0.6111 0.6111 0.6111 0.6111 0.6111 0.6111 tryptophylglycine 0.4820 0.4820 0.4820 0.4820 0.4820 1.7934 0.5072 0.4820 0.5802 1.0535 1.2744 0.4820 0.7171 4.0599 0.4820 1.2646 0.6635 0.4820 0.4820 0.4820 0.4820 1.7758 1.0578 0.5517 0.9465 0.5988 4.0088 0.4820 1.4356 0.6205 tyrosine 0.9639 1.2186 0.9156 0.5472 0.9436 1.8869 0.8097 0.8599 0.8084 1.8655 1.3900 0.7703 1.0498 1.4056 1.0361 0.7121 1.3850 1.0414 0.8944 0.5554 0.8500 1.8135 1.7075 0.6531 1.2680 1.4954 1.2866 0.9402 0.7368 1.3692 tyrosylglycine 0.3376 0.7172 0.0614 0.0614 0.2310 2.0972 1.0146 0.1967 1.0594 2.1187 1.3469 0.6191 1.0913 3.9947 0.5384 2.5704 1.2197 0.8592 0.1281 0.0614 0.3983 2.1248 1.9435 1.0000 0.9771 0.9002 4.2727 0.0614 2.2081 0.9325 UDP-galactose 1.4300 0.6473 1.0059 0.7986 0.6687 0.7605 0.4203 1.6357 1.3842 2.3728 0.5706 0.9941 1.6203 1.8121 0.9685 2.4316 1.0950 0.5877 1.0097 1.0750 0.9438 0.9490 2.0743 0.1327 0.4723 1.1564 1.7269 0.6987 1.3258 0.9186 UDP-glucose 1.1643 0.3017 1.4533 0.7890 0.5664 0.2388 0.3148 1.5488 1.1683 3.6064 1.1059 0.6391 1.6281 1.9315 1.1292 6.0500 0.6326 0.3993 1.3255 1.1373 0.8941 0.6608 2.6525 0.0923 0.5975 0.3273 1.3879 0.8343 2.0109 0.4978 UDP-glucuronate 1.3027 1.7207 2.8770 1.7166 1.0446 0.9763 0.7838 1.0903 0.9165 1.4729 0.5566 0.6973 0.4495 0.7137 0.9667 0.4283 5.5976 1.4759 2.8178 1.7841 1.1885 1.0237 1.3235 0.8566 0.5700 0.4627 0.6928 0.9064 0.3239 3.9798 UDP-N-acetylgalactosamine 1.2852 0.9035 1.0081 0.5399 6.0877 0.4932 0.4633 1.0812 1.8687 1.0368 13.2593 1.1672 0.8191 0.8346 0.9101 1.2645 1.5586 0.6245 1.0940 0.4627 23.8887 0.5262 0.8598 0.3279 9.8599 0.9919 0.6672 0.6362 1.0343 1.7672 UDP-N-acetylglucosamine 1.2635 1.2407 1.2262 0.4619 8.3606 0.4976 0.4141 1.0394 2.3522 1.1816 12.6078 2.6424 0.8574 0.8933 0.9848 1.0152 1.6253 0.5603 0.9387 0.6314 15.9451 0.4447 0.8847 0.3564 10.0010 0.8889 0.9581 1.0223 0.8516 2.1606 uracil 0.1259 1.4345 1.6087 1.6365 2.2558 1.2818 1.5254 0.1477 0.5060 1.2783 0.1389 0.4268 0.0261 0.9606 0.3883 0.3696 0.4627 1.2224 1.2801 1.3822 1.7172 1.0394 1.5283 1.9047 0.1913 0.0955 1.2343 0.6935 0.3701 0.5589 urate 2.1824 1.8588 2.6358 0.9731 0.3643 0.3585 0.8089 1.8360 3.8342 10.1652 0.3610 3.0584 0.6798 1.1880 0.4845 0.3439 0.1869 1.3807 2.0912 1.2353 0.7332 0.1869 8.9160 1.0269 0.4820 0.6289 1.2022 0.6511 0.4610 0.1869 uridine 3.1467 1.5845 0.1447 0.2245 2.4484 1.7023 0.3957 2.9721 0.9502 0.4832 0.5825 0.9191 0.3287 1.0062 2.0587 0.6335 1.4731 1.3844 0.1484 0.1982 1.2060 1.1922 0.5093 1.1919 0.9938 0.8036 1.0711 2.1494 0.7813 1.1681 uridine 3^-monophosphate (3^-UMP) 2.1061 0.8171 0.1168 0.1133 0.1133 0.8797 0.1133 1.3567 0.7528 0.1133 2.5405 1.0810 0.1133 0.9190 0.6999 11.8666 1.5787 0.2894 0.1133 0.1133 0.1133 0.3424 0.4824 0.1133 2.9090 0.1133 1.6481 0.1133 20.1785 1.7448 uridine 5^-diphosphate (UDP) 2.9724 0.7983 5.9430 1.0178 0.5994 0.6505 0.5644 2.5092 0.9822 6.0009 1.2698 0.8228 3.5995 1.0228 1.8605 4.5255 0.8321 0.7742 4.8867 0.9563 0.7870 0.7754 4.3731 0.2236 0.8022 2.6362 0.6133 1.1540 3.8906 0.5500 uridine 5^-monophosphate (UMP) 0.7723 1.3904 0.2989 0.8497 0.0728 0.2805 0.3760 0.8778 1.7898 0.8008 0.8552 1.4592 1.0359 1.5080 1.3774 1.3736 1.8656 0.9972 0.1516 1.0473 0.1549 0.3152 1.0427 0.0172 1.0028 1.5813 1.4397 0.8239 1.1946 1.5108 uridine 5^-triphosphate (UTP) 7.8936 0.8471 42.2615 0.5949 1.9431 0.6102 0.4459 4.6240 0.4622 24.6633 1.0960 0.4211 8.1778 0.1969 1.4732 10.6319 0.0826 0.5683 44.3794 0.5715 1.9221 0.6880 13.0555 0.6412 0.4910 3.7591 0.0826 0.9040 8.8588 0.0826 valerylcarnitine (C5) 0.7008 0.7008 0.7008 0.7008 0.7008 0.7008 2.1462 0.7008 0.7008 0.9704 0.7008 0.7008 0.9081 0.7008 0.7008 0.7008 0.7008 0.7008 0.7008 0.7008 0.7008 0.7008 0.7008 4.6937 0.7008 1.0296 0.7008 0.7008 0.7008 0.7008 valine 0.5537 1.0670 1.0910 0.5636 0.9758 2.9635 0.8068 0.4949 0.7149 2.4320 2.1509 0.5868 1.3590 2.0623 0.9100 0.7040 1.1988 0.7694 0.9989 0.5529 1.0011 3.0870 2.3609 0.6777 2.0505 2.1707 2.2011 0.6955 0.7150 1.2254 valylglutamine 0.2246 0.7408 0.2246 0.2246 0.2246 1.7029 0.3635 0.2246 0.4922 1.3236 1.0654 0.2678 1.1401 2.1638 0.4446 1.1227 1.0983 0.5414 0.2246 0.2246 0.2246 1.4599 1.6225 0.3671 0.7720 0.9346 2.1686 0.2246 1.6481 0.9013 valylglycine 0.4200 1.8173 0.0631 0.0631 0.0631 1.8680 0.7023 0.3103 1.2525 2.0240 0.6732 0.6863 1.0000 2.9683 0.3994 0.9534 3.5141 1.8697 0.0631 0.0631 0.1805 1.9028 2.0916 0.9570 0.5805 0.9658 3.7951 0.0631 1.1977 5.2709 valylleucine 0.0566 0.3342 0.0566 0.0566 0.1818 2.1345 0.3207 0.0566 0.3408 0.7718 1.7907 0.1574 2.8077 1.8656 1.1074 2.9317 1.4436 0.1615 0.0799 0.0566 0.1377 1.7042 1.0000 0.4179 1.2314 1.9342 1.6582 0.0566 2.8050 0.9111 xanthine 1.7760 1.0783 0.1231 1.1758 4.7396 1.4872 0.0122 1.3399 0.4886 0.8251 0.0625 0.5318 0.0384 1.1867 1.2745 0.2590 1.4381 0.9021 0.1320 0.9965 3.8114 1.0035 1.0822 0.0150 0.0364 0.0339 1.4711 1.6684 0.3291 1.3759 xanthosine 1.2521 2.4160 10.7433 0.9345 1.9840 1.0966 1.1006 1.0000 2.8133 0.3854 0.1115 4.1593 0.0604 0.8077 0.4200 0.1228 0.7508 1.1455 7.1876 0.3623 0.6776 0.5036 0.5233 7.8521 0.0946 0.0604 1.2221 1.9736 0.1664 1.0266 xanthosine 5^-monophosphate (xmp) 0.4857 2.5287 7.5912 1.8554 0.4633 0.1389 1.3580 0.7157 5.1719 0.0465 0.0390 5.0066 0.0553 0.0626 0.8859 0.0390 1.1317 2.0541 7.0529 1.1141 0.2979 0.0390 0.0827 2.4537 0.0390 0.0811 0.1097 3.4193 0.0390 1.1259 ximenoylcarnitine (C26:1)* 0.4288 0.2110 0.2110 1.9717 1.1234 23.8606 0.5258 0.4603 1.3486 0.2110 1.2925 1.0447 0.2110 20.3268 0.6903 0.9585 0.6657 0.2110 0.2110 2.0305 1.1715 24.1684 0.2183 0.8740 1.0415 0.2110 19.7125 0.7119 0.8848 0.5448 ximenoyl ethanolamide (26:1)* 0.5178 0.5178 0.7659 0.5178 0.5178 0.5178 0.5794 0.5178 0.5178 0.5178 0.5178 0.5178 1.9070 1.2233 0.5178 0.5178 0.5178 0.5178 0.9409 0.5178 0.5178 0.5178 1.0591 0.6811 0.5178 2.4665 1.3730 0.5178 0.5178 0.5178 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 10-heptadecenoate (17:1n7) 10-nonadecenoate (19:1n9) 1-(1-enyl-oleoyl)-GPE (P-18:1)* 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 1-(1-enyl-palmitoyl)-GPC (P-16:0)* 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 1-(1-enyl-stearoyl)-GPE (P-18:0)* 1,2-dilinoleoyl-GPC (18:2/18:2) 1,2-dioleoyl-GPC (18:1/18:1) 1,2-dioleoyl-GPE (18:1/18:1) 1,2-dioleoyl-GPG (18:1/18:1) 1,2-dioleoyl-GPI (18:1/18:1) 1,2-dioleoyl-GPS (18:1/18:1) 1,2-dipalmitoleoyl-GPC (16:1/16:1)* 1,2-dipalmitoleoyl-GPE (16:1/16:1)* 1,2-dipalmitoyl-GPC (16:0/16:0) 1,2-dipalmitoyl-GPE (16:0/16:0)* 1,2-dipalmitoyl-GPG (16:0/16:0) 13-HODE + 9-HODE 15-methylpalmitate 16-hydroxypalmitate 17-methylstearate 1-arachidonoyl-GPC (20:4n6)* 1-arachidonoyl-GPE (20:4n6)* 1-arachidonoyl-GPI (20:4)* 1-arachidonylglycerol (20:4) 1-dihomo-linolenylglycerol (20:3) 1-dihomo-linoleoylglycerol (20:2) 1-docosahexaenoylglycerol (22:6) 1-lignoceroyl-GPC (24:0) 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* 1-linoleoylglycerol (18:2) 1-linoleoyl-GPC (18:2) 1-linoleoyl-GPE (18:2)* 1-linoleoyl-GPG (18:2)* 1-linoleoyl-GPI (18:2)* 1-methylhistidine 1-methylimidazoleacetate 1-methylnicotinamide 1-myristoylglycerol (14:0) 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* 1-oleoyl-2-arachidonoyl-GPI (18:1/20:4) * 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 1-oleoylglycerol (18:1) 1-oleoyl-GPC (18:1) 1-oleoyl-GPE (18:1) 1-oleoyl-GPG (18:1)* 1-oleoyl-GPI (18:1)* 1-oleoyl-GPS (18:1) 1-palmitoleoyl-2-oleoyl-GPC (16:1/18:1)* 1-palmitoleoyl-2-oleoyl-GPE (16:1/18:1)* 1-palmitoleoyl-2-oleoyl-GPG (16:1/18:1)* 1-palmitoleoyl-2-oleoyl-GPI (16:1/18:1)* 1-palmitoleoylglycerol (16:1)* 1-palmitoleoyl-GPC (16:1)* 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)* 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 1-palmitoyl-2-oleoyl-GPA (16:0/18:1) 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 1-palmitoyl-2-oleoyl-GPG (16:0/18:1) 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* 1-palmitoyl-2-oleoyl-GPS (16:0/18:1) 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 1-palmitoylglycerol (16:0) 1-palmitoyl-GPA (16:0) 1-palmitoyl-GPC (16:0) 1-palmitoyl-GPE (16:0) 1-palmitoyl-GPG (16:0)* 1-palmitoyl-GPI (16:0) 1-palmitoyl-GPS (16:0)* 1-pentadecanoylglycerol (15:0) 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 1-stearoyl-2-oleoyl-GPG (18:0/18:1) 1-stearoyl-2-oleoyl-GPI (18:0/18:1)* 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 1-stearoyl-GPA (18:0) 1-stearoyl-GPC (18:0) 1-stearoyl-GPE (18:0) 1-stearoyl-GPG (18:0) 1-stearoyl-GPI (18:0) 1-stearoyl-GPS (18:0)* 2-aminoadipate 2-aminobutyrate 2-aminophenol sulfate 2-arachidonoylglycerol (20:4) 2'-deoxyadenosine 5'-diphosphate 2'-deoxyadenosine 5'-monophosphate 2'-deoxycytidine 2'-deoxycytidine 5'-monophosphate 2'-deoxyguanosine 2'-deoxyinosine 2'-deoxyuridine 2-hydroxy-3-methylvalerate 2-hydroxyadipate 2-hydroxybutyrate/2-hydroxyisobutyrate 2-hydroxydecanoate 2-hydroxyglutarate 2-hydroxypalmitate 2-hydroxystearate 2-linoleoylglycerol (18:2) 2-methylbutyrylcarnitine (C5) 2-methylbutyrylglycine 2-methylcitrate/homocitrate 2-myristoylglycerol (14:0) 2-oleoylglycerol (18:1) 2'-O-methylcytidine 2-oxoarginine* 2-palmitoleoylglycerol (16:1)* 2-palmitoleoyl-GPC (16:1)* 2-palmitoylglycerol (16:0) 2-palmitoyl-GPC (16:0)* 2-phosphoglycerate 2-stearoyl-GPE (18:0)* 3-(4-hydroxyphenyl)lactate 3-aminoisobutyrate 3’-dephospho-acetyl-coenzyme A 3'-dephosphocoenzyme A 3-hydroxy-2-ethylpropionate 3-hydroxy-3-methylglutarate 3-hydroxybutyrate (BHBA) 3-hydroxybutyrylcarnitine (1) 3-hydroxybutyrylcarnitine (2) 3-hydroxydecanoate 3-hydroxyhexanoate 3-hydroxyhippurate 3-hydroxyisobutyrate 3-hydroxykynurenine 3-hydroxylaurate 3-hydroxyoctanoate 3-hydroxypalmitate 3-ketosphinganine 3-methoxytyrosine 3-methyl-2-oxobutyrate 3-methyl-2-oxovalerate 3-methylcytidine 3-methylglutaconate 3-methylhistidine 3-phosphoglycerate 3-sialyllactose 3-sulfo-L-alanine 3-ureidopropionate 4-acetamidobenzoate 4-acetamidobutanoate 4-ethylphenylsulfate 4-guanidinobutanoate 4-hydroxyglutamate 4-hydroxy-nonenal-glutathione 4-hydroxyphenylpyruvate 4-imidazoleacetate 4-methyl-2-oxopentanoate 4-methylcatechol sulfate "5,6-dihydrothymine" 5-aminovalerate 5-dodecenoate (12:1n7) 5-(galactosylhydroxy)-L-lysine 5-hydroxyindoleacetate 5-hydroxylysine 5-methylcytidine 5-methyltetrahydrofolate (5MeTHF) 5-methylthioadenosine (MTA) 5-methyluridine (ribothymidine) 5-oxoproline 5-phosphoribosyl diphosphate (PRPP) 6-oxopiperidine-2-carboxylate 6-phosphogluconate 7-dehydrocholesterol 7-hydroxycholesterol (alpha or beta) 7-methylguanine acetylcarnitine (C2) acetylcholine acetyl CoA acetylphosphate aconitate [cis or trans] Ac-Ser-Asp-Lys-Pro-OH adenine adenosine adenosine 2'-monophosphate (2'-AMP) "adenosine 3',5'-cyclic monophosphate (cAMP)" adenosine 3'-monophosphate (3'-AMP) adenosine 5'-diphosphate (ADP) adenosine 5'-diphosphoribose (ADP-ribose) adenosine 5'-monophosphate (AMP) adenylosuccinate adipate adipoylcarnitine (C6-DC) adrenate (22:4n6) adrenoylcarnitine (C22:4)* alanine alanylleucine allantoin allo-threonine alpha-hydroxyisocaproate alpha-hydroxyisovalerate alpha-ketoglutarate alpha-tocopherol arabitol/xylitol arabonate/xylonate arachidate (20:0) arachidonate (20:4n6) arachidonoylcarnitine (C20:4) arachidoylcarnitine (C20)* argininate* arginine argininosuccinate asparagine aspartate behenoylcarnitine (C22)* behenoyl dihydrosphingomyelin (d18:0/22:0)* behenoyl sphingomyelin (d18:1/22:0)* benzoate benzoylcarnitine* beta-alanine beta-citrylglutamate beta-guanidinopropanoate beta-hydroxyisovalerate betaine betaine aldehyde "bilirubin (Z,Z)" biotin butyrylcarnitine (C4) butyryl/isobutyryl CoA campesterol carboxyethyl-GABA carnitine carnosine catechol sulfate "ceramide (d16:1/24:1, d18:1/22:1)*" "ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*" "ceramide (d18:2/24:1, d18:1/24:2)*" cerotoylcarnitine (C26)* C-glycosyltryptophan chenodeoxycholate cholate cholesterol choline choline phosphate cis-4-decenoylcarnitine (C10:1) citrate citrulline coenzyme A creatine creatine phosphate creatinine cystathionine cysteine cysteine-glutathione disulfide cysteine sulfinic acid cysteinylglycine cystine cytidine cytidine 5'-diphosphocholine cytidine-5'-diphosphoethanolamine cytidine 5'-monophosphate (5'-CMP) cytidine 5'-monophospho-N-acetylneuraminic acid cytidine diphosphate cytidine triphosphate decanoylcarnitine (C10) deoxycarnitine deoxycholate "diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [1]*" "diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [2]*" "diacylglycerol (14:0/18:1, 16:0/16:1) [1]*" "diacylglycerol (14:0/18:1, 16:0/16:1) [2]*" "diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*" diadenosine triphosphate dihomo-linoleate (20:2n6) dihomo-linolenate (20:3n3 or n6) dihomo-linolenoylcarnitine (20:3n3 or 6)* dihomo-linoleoylcarnitine (C20:2)* dihydrobiopterin dihydroorotate dihydroxyacetone phosphate (DHAP) dimethylarginine (SDMA + ADMA) dimethylglycine dimethylmalonic acid docosadienoate (22:2n6) docosadienoylcarnitine (C22:2)* docosahexaenoate (DHA; 22:6n3) docosahexaenoylcarnitine (C22:6)* docosapentaenoate (n3 DPA; 22:5n3) docosapentaenoate (n6 DPA; 22:5n6) docosapentaenoylcarnitine (C22:5n3)* docosatrienoate (22:3n3) docosatrienoate (22:3n6)* docosatrienoylcarnitine (C22:3)* eicosanoylsphingosine (d20:1)* eicosapentaenoate (EPA; 20:5n3) eicosenoate (20:1) eicosenoylcarnitine (C20:1)* ergothioneine erucate (22:1n9) erucoylcarnitine (C22:1)* erythritol erythronate* ethylmalonate flavin adenine dinucleotide (FAD) flavin mononucleotide (FMN) folate fructose fumarate galactitol (dulcitol) galactonate galactose 1-phosphate galactosylglycerol* gamma-aminobutyrate (GABA) gamma-glutamyl-2-aminobutyrate gamma-glutamylalanine gamma-glutamyl-alpha-lysine gamma-glutamylcysteine gamma-glutamyl-epsilon-lysine gamma-glutamylglutamate gamma-glutamylglutamine gamma-glutamylglycine gamma-glutamylisoleucine* gamma-glutamylleucine gamma-glutamylmethionine gamma-glutamylphenylalanine gamma-glutamylthreonine gamma-glutamyltyrosine gamma-glutamylvaline gluconate glucose glucose 6-phosphate glucuronate glutamate "glutamate, gamma-methyl ester" glutamine glutarate (pentanedioate) glutarylcarnitine (C5-DC) "glutathione, oxidized (GSSG)" "glutathione, reduced (GSH)" glycerate glycerol glycerol 2-phosphate glycerol 3-phosphate glycerophosphoethanolamine glycerophosphoglycerol glycerophosphoinositol* glycerophosphorylcholine (GPC) glycerophosphoserine* glycine glycochenodeoxycholate glycocholate "glycosyl ceramide (d16:1/24:1, d18:1/22:1)*" "glycosyl ceramide (d18:1/20:0, d16:1/22:0)*" "glycosyl ceramide (d18:1/23:1, d17:1/24:1)*" glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1/24:1(2OH))* glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)* glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)* glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) glycosyl-N-stearoyl-sphinganine (d18:0/18:0)* glycosyl-N-stearoyl-sphingosine (d18:1/18:0) glycosyl-N-tetracosadienoyl-sphingosine (d18:1/24:2)* glycylisoleucine glycylleucine glycylvaline guanidinoacetate guanine guanosine guanosine 3'-monophosphate (3'-GMP) guanosine 5'- diphosphate (GDP) guanosine 5'-diphospho-fucose guanosine 5'- monophosphate (5'-GMP) gulonate* HEPES hexadecanedioate hexanoylcarnitine (C6) hippurate histidine histidine methyl ester homoarginine homocitrulline homocysteine homostachydrine* hypotaurine hypoxanthine imidazole lactate imidazole propionate indolelactate inosine inosine 5'-monophosphate (IMP) inositol 1-phosphate (I1P) "Isobar: fructose 1,6-diphosphate, glucose 1,6-diphosphate, myo-inositol 1,4 or 1,3-diphosphate" isobutyrylcarnitine (C4) isocitrate isoleucine isoleucylglycine isopentenyl adenosine isovaleryl/2-methylbutyryl CoA isovalerylcarnitine (C5) isovalerylglycine kynurenate kynurenine lactate lactose lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) lactosyl-N-stearoyl-sphingosine (d18:1/18:0)* lanthionine laurate (12:0) laurylcarnitine (C12) leucine leucylalanine leucylglutamine* leucylglycine lignoceroylcarnitine (C24)* lignoceroyl ethanolamide (24:0)* lignoceroyl sphingomyelin (d18:1/24:0) linoleate (18:2n6) linolenate [alpha or gamma; (18:3n3 or 6)] linolenoylcarnitine (C18:3)* linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]* linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* linoleoylcarnitine (C18:2)* linoleoylcholine* linoleoyl ethanolamide lysine malate maleate malonate malonylcarnitine maltopentaose maltose maltotetraose maltotriose mannitol/sorbitol mannose mannose-6-phosphate margarate (17:0) margaroylcarnitine* mead acid (20:3n9) methionine methionine sulfone methionine sulfoxide methyl glucopyranoside (alpha + beta) methylmalonate (MMA) methylphosphate methylsuccinate myo-inositol myristate (14:0) myristoleate (14:1n5) myristoleoylcarnitine (C14:1)* myristoylcarnitine (C14) myristoyl dihydrosphingomyelin (d18:0/14:0)* N(1)-acetylspermine N1-methyladenosine N1-methylinosine "N1,N12-diacetylspermine" N2-methylguanosine "N2,N2-dimethylguanosine" N(4)-acetylspermidine N6-acetyllysine N6-carbamoylthreonyladenosine N6-methyladenosine "N6,N6-dimethyladenosine" "N6,N6,N6-trimethyllysine" N6-succinyladenosine N-acetylalanine N-acetylarginine N-acetylasparagine N-acetylaspartate (NAA) N-acetyl-aspartyl-glutamate (NAAG) N-acetyl-cadaverine N-acetylcysteine N-acetyl-glucosamine 1-phosphate N-acetylglucosamine 6-phosphate N-acetylglucosamine/N-acetylgalactosamine N-acetylglucosaminylasparagine N-acetylglutamate N-acetylglutamine N-acetylglycine N-acetylhistidine N-acetylisoleucine N-acetylleucine N-acetylmethionine N-acetylmethionine sulfoxide N-acetylneuraminate N-acetylphenylalanine N-acetylputrescine N-acetylserine N-acetyltaurine N-acetylthreonine N-acetyltyrosine N-acetylvaline N-behenoyl-sphingadienine (d18:2/22:0)* N-carbamoylaspartate N-delta-acetylornithine nervonoylcarnitine (C24:1)* N-formylmethionine N-formylphenylalanine N-glycolylneuraminate nicotinamide nicotinamide adenine dinucleotide (NAD+) nicotinamide adenine dinucleotide phosphate reduced (NADPH) nicotinamide adenine dinucleotide reduced (NADH) nicotinamide ribonucleotide (NMN) nicotinamide riboside N-margaroyl-sphingosine (d18:1/17:0)* N-methyl-GABA N-methylproline N-monomethylarginine N-myristoyl-sphingosine (d18:1/14:0)* N-oleoyltaurine nonadecanoate (19:0) N-palmitoylglycine N-palmitoyl-heptadecasphingosine (d17:1/16:0)* N-palmitoyl-sphingadienine (d18:2/16:0)* N-palmitoyl-sphinganine (d18:0/16:0) N-palmitoyl-sphingosine (d18:1/16:0) N-palmitoyltaurine N-stearoyl-sphingadienine (d18:2/18:0)* N-stearoyl-sphinganine (d18:0/18:0)* N-stearoyl-sphingosine (d18:1/18:0)* N-stearoyltaurine o-cresol sulfate octanoylcarnitine (C8) oleate/vaccenate (18:1) oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]* oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* oleoylcarnitine (C18:1) oleoylcholine oleoyl ethanolamide oleoyl-linoleoyl-glycerol (18:1/18:2) [1] oleoyl-linoleoyl-glycerol (18:1/18:2) [2] oleoyl-oleoyl-glycerol (18:1/18:1) [1]* oleoyl-oleoyl-glycerol (18:1/18:1) [2]* O-methylcatechol sulfate O-methyltyrosine ophthalmate ornithine orotate orotidine orotidine 5'-phosphate O-sulfo-L-tyrosine palmitate (16:0) palmitoleate (16:1n7) palmitoleoylcarnitine (C16:1)* palmitoleoyl ethanolamide* palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]* palmitoleoyl-oleoyl-glycerol (16:1/18:1) [1]* palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]* palmitoleoyl-palmitoleoyl-glycerol (16:1/16:1) [2]* palmitoloelycholine palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]* palmitoylcarnitine (C16) palmitoylcholine palmitoyl-dihomo-linolenoyl-glycerol (16:0/20:3n3 or 6) [2]* palmitoyl dihydrosphingomyelin (d18:0/16:0)* palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]* palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [2]* palmitoyl ethanolamide palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]* palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* palmitoyl-myristoyl-glycerol (16:0/14:0) [2] palmitoyl-oleoyl-glycerol (16:0/18:1) [1]* palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* palmitoyl-palmitoyl-glycerol (16:0/16:0) [1]* palmitoyl-palmitoyl-glycerol (16:0/16:0) [2]* palmitoyl sphingomyelin (d18:1/16:0) pantetheine pantothenate p-cresol sulfate penicillin G pentadecanoate (15:0) phenol red phenol sulfate phenylacetylglycine phenylalanine phenylalanylalanine phenylalanylglycine phenyllactate (PLA) phosphate phosphoenolpyruvate (PEP) phosphoethanolamine phosphopantetheine phosphothreonine phytosphingosine pipecolate pro-hydroxy-pro proline prolylglycine propionylcarnitine (C3) propionyl CoA prostaglandin E2 prostaglandin F2alpha pseudouridine pterin putrescine pyridoxal pyridoxal phosphate pyridoxamine pyridoxamine phosphate pyridoxate pyridoxine (Vitamin B6) pyroglutamine* pyruvate quinate retinol (Vitamin A) ribitol riboflavin (Vitamin B2) ribonate ribose ribose 1-phosphate ribose 5-phosphate ribulose/xylulose ribulose/xylulose 5-phosphate S-1-pyrroline-5-carboxylate saccharopine S-adenosylhomocysteine (SAH) S-adenosylmethionine (SAM) sarcosine sedoheptulose sedoheptulose-7-phosphate serine serotonin S-lactoylglutathione S-methylglutathione S-methylmethionine S-nitrosoglutathione (GSNO) spermidine sphinganine "sphingomyelin (d17:2/16:0, d18:2/15:0)*" "sphingomyelin (d18:0/18:0, d19:0/17:0)*" "sphingomyelin (d18:0/20:0, d16:0/22:0)*" "sphingomyelin (d18:1/14:0, d16:1/16:0)*" "sphingomyelin (d18:1/15:0, d16:1/17:0)*" "sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)" "sphingomyelin (d18:1/18:1, d18:2/18:0)" "sphingomyelin (d18:1/19:0, d19:1/18:0)*" "sphingomyelin (d18:1/20:0, d16:1/22:0)*" "sphingomyelin (d18:1/20:1, d18:2/20:0)*" "sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*" "sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*" "sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*" "sphingomyelin (d18:1/24:1, d18:2/24:0)*" "sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)*" "sphingomyelin (d18:2/14:0, d18:1/14:1)*" "sphingomyelin (d18:2/16:0, d18:1/16:1)*" "sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*" sphingomyelin (d18:2/23:1)* "sphingomyelin (d18:2/24:1, d18:1/24:2)*" sphingomyelin (d18:2/24:2)* sphingosine sphingosine 1-phosphate stachydrine stearate (18:0) stearidonate (18:4n3) stearoylcarnitine (C18) stearoylcholine* stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [1]* stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [2]* stearoyl ethanolamide stearoyl-linolenoyl-glycerol (18:0/18:3) [2]* stearoyl-linoleoyl-glycerol (18:0/18:2) [2]* stearoyl sphingomyelin (d18:1/18:0) succinate succinylcarnitine (C4-DC) succinyl CoA sulfate* taurine taurochenodeoxycholate taurocholate taurodeoxycholate tetracosadienoylcarnitine (C24:2)* thiamin diphosphate thiamin monophosphate thiamin (Vitamin B1) thioproline threonate threonine threonylphenylalanine thymidine thymidine 5'-monophosphate thymine tiglylcarnitine (C5:1-DC) trans-4-hydroxyproline tricosanoyl sphingomyelin (d18:1/23:0)* trigonelline (N'-methylnicotinate) trimethylamine N-oxide tryptamine tryptophan tryptophan betaine tryptophylglycine tyrosine tyrosylglycine UDP-galactose UDP-glucose UDP-glucuronate UDP-N-acetylgalactosamine UDP-N-acetylglucosamine uracil urate uridine uridine 3'-monophosphate (3'-UMP) uridine 5'-diphosphate (UDP) uridine 5'-monophosphate (UMP) uridine 5'-triphosphate (UTP) valerylcarnitine (C5) valine valylglutamine valylglycine valylleucine xanthine xanthosine xanthosine 5'-monophosphate (xmp) ximenoylcarnitine (C26:1)* ximenoyl ethanolamide (26:1)* METABOLITES_END #END