metabolite_name S00028061 S00028062 S00028063 S00028064 S00028065 S00028066 S00028067 S00028068 S00028069 S00028070 TAURINE 188.2335352 192.9139946 206.9950468 1614.05951 225.979898 188.413882 341.4552921 60.18863913 639.7157366 41.75064971 XANTHINE .054595186 .036901457 .059394569 .340199061 .086866035 .029250051 .028827643 .031836352 .058319323 GLUTATHIONE 15.31756263 13.94449356 20.5226926 137.2493669 18.0628466 16.04414899 11.20842885 7.836216498 42.31064712 32.76563379 2'-DEOXYURIDINE .010423362 L-PROLINE 33.43955639 41.85807117 26.61917626 238.6893828 33.76086883 25.52582285 51.82502383 35.8837258 61.53273659 6.230283677 UDP-GLUCURONIC ACID .050225602 .043207065 .002319289 .510968726 .014460432 .003905616 .027202658 .007459916 .062742378 .008476546 L-GLUTAMIC ACID 21.17762878 24.71218188 23.42526063 237.8035332 28.03927402 24.83200004 9.191452813 12.73688951 57.4433383 24.05450158 N-ACETYL-D-GLUCOSAMINE 1-PHOSPHATE .096013138 .099081091 .050840409 .37207764 .086210472 .049569535 .075556602 .024020031 .087248841 .03727909 OLEIC ACID 17.5191328 17.78068559 12.66171135 97.01471145 26.40510165 13.34948782 26.62043692 80.40156704 34.36145676 4.237667115 UDP-N-ACETYLGLUCOSAMINE .452568233 .499474307 .701251363 6.804246836 .877786949 1.148482717 1.396253465 .837341613 1.436335291 1.068699321 STEARIC ACID 23.92524796 29.4836343 18.46377666 131.7128315 27.40671324 21.82047691 27.88941147 98.97446991 54.60490517 .761418101 UDPGLUCOSE .257420082 .273363535 .447442349 2.868293701 .563832982 .538790655 .750447401 .635971335 .619294257 .656184586 CREATINE 38.84033806 45.18953357 39.81278623 69.82668275 23.6128172 23.12171179 28.61203252 37.86116052 99.15384352 13.13022523 CREATININE 382.3832082 473.1432515 501.6922085 909.7899483 362.8574975 304.1324559 484.8133157 648.1118585 1838.30938 91.93630811 L-ALANINE 17.54826147 15.88685361 L-ASPARTIC ACID .922538055 .766520875 .465518761 4.225696216 .919548602 1.761385513 1.920448586 1.879693865 1.34120147 .301399885 L-GLUTAMINE 279.9853009 294.4029107 198.0795947 1534.715464 167.7554672 130.3599327 391.6402093 287.7261669 371.7817065 33.52561426 L-LYSINE 2.359734946 2.767003472 5.612205855 64.10545094 7.240511831 5.951999694 3.056845692 1.841877126 13.71483359 12.94792367 INOSINE 8.211360659 16.7090014 6.037366735 24.27972868 34.57114439 9.26974341 47.34227868 17.64179468 8.550440472 5.298036262 URIDINE 5'-DIPHOSPHATE .033336973 .106740481 .01592963 .031454008 .324116346 .03279568 .077720775 .01615884 .056740225 .165430794 URIDINE 5'-TRIPHOSPHATE .034647713 .028089956 .644844527 5.504999037 .051312747 .80247626 1.558929852 2.291798561 1.400641646 1.074084451 L-METHIONINE .883733665 1.037977769 1.24234729 10.21675261 2.061558112 1.238918582 2.727630935 1.876320459 3.10981347 .454583341 L-PHENYLALANINE 3.793253292 3.931891364 4.098300982 28.16474575 7.971535822 5.160945742 9.97106581 7.744559062 11.00172711 2.192637645 DL-SERINE 21.42544994 1.508413753 1.250001804 L-ORNITHINE .015637867 L-ASPARAGINE 3.449927316 3.365413528 2.267450227 18.00155466 1.789270208 1.675270994 5.568543498 4.016174119 4.750710338 .348718515 L-HISTIDINE 1.203500576 1.213758324 1.669825399 10.67426175 1.806132981 1.142890637 2.494823725 1.974553485 2.373609308 .571905767 L-VALINE 180.1869354 221.5151727 177.8417262 965.687765 184.9198225 130.2483288 290.6522536 361.3283874 418.2147653 41.30830438 L-THREONINE 9.473019499 13.61521187 15.79679129 125.8158848 17.48922709 14.94004806 26.45571582 17.94123151 19.72563354 2.0186192 L-ISOLEUCINE 4.980459729 5.05422909 6.525290153 7.478768379 18.85281762 12.37558642 26.39445949 71.41287326 35.40333643 1.858360303 L-ARGININE .328487424 .382928256 .100598259 .519609223 .336658484 .223886653 .653789896 .420653325 .311259784 D-PANTOTHENIC ACID 13.76533226 12.34961164 9.565434689 83.01371146 10.22213583 9.553514594 13.71406955 17.13118159 18.84649765 2.262211849 DIHYDROXYACETONE PHOSPHATE .040851988 .045183511 5'-GUANYLIC ACID .008776045 .002282746 .007513515 .013121367 .013498135 .013697501 .252409072 .007559282 .041880707 O-PHOSPHO-L-SERINE .621418416 .616976121 .569976182 6.787884825 .618771422 .565906818 .262081916 .269228756 1.655195531 .798291791 3-GLYCEROPHOSPHATE 6.789696826 9.151736067 8.906132774 61.47182733 26.76626336 22.48454344 8.578654201 13.83742313 23.6306309 27.45729807 INOSINIC ACID 20.12119308 30.24026457 38.58254192 83.09861737 60.25398947 36.47559056 116.2286323 53.31621879 46.01683094 58.01721597 GUANOSINE DIPHOSPHATE .013667461 .005066747 .00641848 .002785589 .002593525 PHOSPHOCREATINE .499009427 .658333412 1.231531084 5.563425801 .791930361 1.375813158 .21356284 .63496009 4.34813423 2.292190918 L-GLUTATHIONE (OXIDIZED) 4.328772627 4.550442531 7.662513746 89.39048282 9.27414308 12.84907736 8.903217665 26.37420234 11.36854639 12.72149549 PALMITIC ACID 27.21992666 30.84128233 17.96105751 147.5080715 25.05225963 19.22857608 27.86784996 96.9410328 47.93938167 3.959335057 PC(34:2) 1.845639726 2.879298582 1.13186288 3.016870661 .091875766 .656919747 .296531636 .477057647 .109629117 .436052479 PE(18:2_20:4) .288154106 .035817226 .265212498 .137463281 .079425285 .038498816 .126032213 .134775826 .012360392 .003063829 PI(38:4) 17.96586531 17.87256615 5.829617656 23.70390047 3.772339248 3.321034336 6.388477865 31.53753872 9.651295441 .233800177 PS(38:4) 2.100533272 1.964007895 .045244964 .210793046 .75007665 .465894358 .83060303 .638470683 1.423414581 .110028487 PS(40:6) 4.510636676 4.107655838 .768250719 2.503893277 .030273498 .029755606 .059276481 .341264757 2.1121747 .057121291 metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type TAURINE 1123 XANTHINE 1188 GLUTATHIONE 124886 2'-DEOXYURIDINE 13712 L-PROLINE 145742 UDP-GLUCURONIC ACID 17473 L-GLUTAMIC ACID 33032 N-ACETYL-D-GLUCOSAMINE 1-PHOSPHATE 440272 OLEIC ACID 445639 UDP-N-ACETYLGLUCOSAMINE 445675 STEARIC ACID 5281 UDPGLUCOSE 53477679 CREATINE 586 CREATININE 588 L-ALANINE 5950 L-ASPARTIC ACID 5960 L-GLUTAMINE 5961 L-LYSINE 5962 INOSINE 6021 URIDINE 5'-DIPHOSPHATE 6031 URIDINE 5'-TRIPHOSPHATE 6133 L-METHIONINE 6137 L-PHENYLALANINE 6140 DL-SERINE 617 L-ORNITHINE 6262 L-ASPARAGINE 6267 L-HISTIDINE 6274 L-VALINE 6287 L-THREONINE 6288 L-ISOLEUCINE 6306 L-ARGININE 6322 D-PANTOTHENIC ACID 6613 DIHYDROXYACETONE PHOSPHATE 668 5'-GUANYLIC ACID 6804 O-PHOSPHO-L-SERINE 68841 3-GLYCEROPHOSPHATE 754 INOSINIC ACID 8582 GUANOSINE DIPHOSPHATE 8977 PHOSPHOCREATINE 9548602 L-GLUTATHIONE (OXIDIZED) 975 PALMITIC ACID 985 PC(34:2) PC(34:2) REFMET PE(18:2_20:4) PE(18:2_20:4) REFMET PI(38:4) PI(38:4) REFMET PS(38:4) PS(38:4) REFMET PS(40:6) PS(40:6) REFMET