Spreadsheet: 151254dd-d61c-458a-88d6-c1122035ef4c
Sheet: Sheet1

Additional File 1.  Metabolome Data
Candidates |  |  | Relative area,n=3 |  |  |  |  |  |  |  |  |  | Comparative Analysis
HumanMetabolome Technology DataBase |  |  | VL group |  |  |  |  | Bac group |  |  |  |  | Bac group vs  VL group
Compound name | KEGG ID | HMDB ID | VL1 | VL2 | VL3 | mean | SD | Bac1 | Bac2 | Bac3 | mean | SD | Ratio# | p-value§
Biotin | C00120 | HMDB00030 | N.D. | N.D. | N.D. | N.D. | N.A. | 0.0102554697112114 | 0.0149573617085502 | N.D. | 0.0126064157098808 | 0.003324739715725025 | 1< | NA
Isobutylamine | C02787 | - | N.D. | N.D. | N.D. | N.D. | N.A. | N.D. | N.D. | 0.615167406212182 | 0.615167406212182 | N.A. | 1< | NA
3-Aminopropane-1,2-diol | C06057 | - | N.D. | N.D. | N.D. | N.D. | N.A. | 0.0139751552795031 | 0.014879966264044 | 0.0191609519967728 | 0.0160053578467733 | 0.002770018331901391 | 1< | NA
Cadaverine | C01672 | HMDB02322 | N.D. | N.D. | N.D. | N.D. | N.A. | 0.137075024517816 | 0.26889364137474 | 0.418495361032674 | 0.27482134230841 | 0.1408037807724042 | 1< | NA
N,N-Dimethylglycine | C01026 | HMDB00092 | N.D. | N.D. | N.D. | N.D. | N.A. | 0.0316484145145472 | 0.0387662278984306 | 0.0273699072206534 | 0.03259484987787706 | 0.005756807810792737 | 1< | NA
5-Aminovaleric acid | C00431 | HMDB03355 | N.D. | N.D. | N.D. | N.D. | N.A. | 0.0765568813337692 | 0.152097954757673 | N.D. | 0.1143274180457211 | 0.05341560527615324 | 1< | NA
Trigonelline | C01004 | HMDB00875 | N.D. | N.D. | N.D. | N.D. | N.A. | N.D. | 0.0775625771860598 | N.D. | 0.0775625771860598 | N.A. | 1< | NA
Spermidine | C00315 | HMDB01257 | N.D. | N.D. | N.D. | N.D. | N.A. | 0.096824942791762 | 0.116313744389891 | 0.260548608309802 | 0.1578957651638183 | 0.08943242142197784 | 1< | NA
N-Methylglutamic acid | C01046 | - | N.D. | N.D. | N.D. | N.D. | N.A. | 0.067056227525335 | 0.0675923973613663 | 0.031282775312626 | 0.0553104667331091 | 0.02081031801226825 | 1< | NA
N5-Ethylglutamine | C01047 | - | N.D. | N.D. | N.D. | N.D. | N.A. | N.D. | 0.0687972529293051 | 0.0788019362646228 | 0.07379959459696395 | 0.007074379430027195 | 1< | NA
N8-Acetylspermidine | C01029 | HMDB02189 | N.D. | N.D. | N.D. | N.D. | N.A. | 0.0116663942464857 | 0.0149552697370402 | 0.0278136345300524 | 0.0181450995045261 | 0.008533147288835712 | 1< | NA
Gly-Leu | C02155 | HMDB00759 | N.D. | N.D. | N.D. | N.D. | N.A. | 0.0245382477933965 | 0.0229675592638332 | 0.0282573618394513 | 0.025254389632227 | 0.002716642628732497 | 1< | NA
N6-Acetyllysine | C02727 | HMDB00206 | N.D. | N.D. | N.D. | N.D. | N.A. | 0.0209627329192546 | 0.0195789029790053 | N.D. | 0.02027081794912995 | 0.000978515534759256 | 1< | NA
Castanospermine | C02256 | - | N.D. | N.D. | N.D. | N.D. | N.A. | N.D. | N.D. | 0.193102057281161 | 0.193102057281161 | N.A. | 1< | NA
ADMA | C03626 | HMDB01539 | N.D. | N.D. | N.D. | N.D. | N.A. | 0.00954151683556718 | 0.0326817072803397 | 0.0124041952400161 | 0.01820913978530766 | 0.01261507587513916 | 1< | NA
SDMA | - | HMDB03334 | N.D. | N.D. | N.D. | N.D. | N.A. | 0.00437234390323635 | 0.0105726076086629 | N.D. | 0.007472475755949625 | 0.004384248511251945 | 1< | NA
Inosine | C00294 | HMDB00195 | N.D. | N.D. | N.D. | N.D. | N.A. | N.D. | 0.0153619084912196 | 0.0218636546994755 | 0.01861278159534755 | 0.004597428833411674 | 1< | NA
Trehalose 6-phosphate | C00689 | HMDB01124 | 0.00217227528099377 | 0.00279620284212778 | 0.00243123046051845 | 0.00246656952788 | 0.0003134613814286325 | 0.652192851738921 | 1.08094483435212 | 0.646988108859696 | 0.7933752649835789 | 0.2490561488042727 | 321.6512877565141 | 0.01680057
Gluconic acid | C00257 | HMDB00625 | 0.00261371224841189 | 0.00294963390513367 | N.D. | 0.00278167307677278 | 0.0002375324814153903 | 0.415178400849782 | 0.736895328654441 | N.D. | 0.5760368647521115 | 0.2274882212731773 | 207.0828774100274 | 0.08606715
2-Aminoadipic acid | C00956 | HMDB00510 | 0.0160937840069884 | 0.0220145687903853 | 0.018984460973825 | 0.0190309379237329 | 0.002960666004969259 | 1.15597417456685 | 1.91706075484201 | 0.47870108914885 | 1.183912006185903 | 0.7195867034624222 | 62.20986117081928 | 0.05165543
Putrescine | C00134 | HMDB01414 | 0.00983575276751667 | 0.0138030112208798 | 0.0107684241456992 | 0.01146906271136522 | 0.00207435669756173 | 0.489518633540372 | 0.52795264917618 | 0.970996369503832 | 0.662822550740128 | 0.2675773165237043 | 57.79221610527132 | 0.02570108
N-Acetylglucosamine 6-phosphate | C00357 | HMDB01062 | 0.00188624214394223 | 0.00147899194747856 | 0.00195945223402716 | 0.001774895441815983 | 0.0002588611361200905 | N.D. | N.D. | 0.0923337630172501 | 0.0923337630172501 | N.A. | 52.02208583215407 | NA
Asp | C00049,C00402,C16433 | HMDB00191,HMDB06483 | 0.199255237635245 | 0.244853141276762 | 0.207789102516089 | 0.217299160476032 | 0.02424093863542392 | 7.90472785223929 | 8.76359227687581 | 4.25605082694635 | 6.974790318687151 | 2.39333874387639 | 32.09764042993837 | 0.01934832
N6,N6,N6-Trimethyllysine | C03793 | HMDB01325 | 0.00136251561526375 | 0.00154421583580682 | 0.00135685601193802 | 0.001421195821002863 | 0.000106576032996286 | 0.0320161817587446 | 0.0650320792794963 | 0.0368091972569584 | 0.04461915276506643 | 0.01783981294896795 | 31.39549955443933 | 0.02602367
Lys | C00047,C00739,C16440 | HMDB00182,HMDB03405 | 0.105366880435527 | 0.11366124714415 | 0.106652915655986 | 0.108560347745221 | 0.004464062348977772 | 2.84049117358613 | 4.01268110485255 | 2.67595804759983 | 3.17637677534617 | 0.7289180242318345 | 29.25908806777933 | 0.00908179
Ornithine | C00077,C00515,C01602 | HMDB00214,HMDB03374 | 0.0137175806254453 | 0.0135118885633096 | 0.0145221043655617 | 0.0139171911847722 | 0.0005338700903085524 | 0.309537430532853 | 0.338413807644808 | 0.570935861234368 | 0.4062956998040096 | 0.143311717440127 | 29.19380027261298 | 0.02056492
3-Phosphoglyceric acid | C00197 | HMDB00807 | 0.0144334122739747 | 0.014434001158561 | 0.0236350407511548 | 0.01750081806123016 | 0.00531239269010547 | 0.346676142659544 | 0.516232737151913 | 0.578987008096403 | 0.4806319626359534 | 0.1201775599253361 | 27.46339976533467 | 0.0104752
Choline | C00114 | HMDB00097 | 0.0152828337939649 | 0.0207899550025631 | 0.0118660083082223 | 0.01597959903491677 | 0.004502590088116836 | 0.101748937561294 | 0.492831109370764 | 0.514481645824929 | 0.3696872309189956 | 0.2322937433891981 | 23.13495038963105 | 0.05969303
Piperidine | C01746 | - | 0.0148147485607124 | 0.0138409837414324 | 0.00966219758819564 | 0.01277264329678015 | 0.00273737261993242 | 0.0432126511932003 | 0.0408897858369228 | 0.708067769261799 | 0.2640567354306407 | 0.3845265888709471 | 20.67361698711235 | 0.1877678
Ribulose 1,5-diphosphate | C01182 | - | 0.00245943453275811 | 0.00123997348878231 | 0.0025842962851134 | 0.00209456810221794 | 0.0007427291426120318 | 0.0378886876514057 | 0.0353482756018413 | N.D. | 0.0366184816266235 | 0.001796342587255003 | 17.48259299272635 | 0.008588292
Fructose 1,6-diphosphate | C00354 | HMDB01058 | 0.00515760538463011 | 0.00283273404760537 | 0.00585948557302183 | 0.004616608335085769 | 0.001584239424728623 | 0.0709476757070695 | 0.110308655950494 | 0.04555132308851 | 0.0756025515820245 | 0.03262865216198604 | 16.37621086620074 | 0.03100677
Dihydroxyacetone phosphate | C00111 | HMDB01473 | 0.00293803328569868 | 0.00270122170788604 | 0.00461713624326143 | 0.003418797078948717 | 0.00104452500946162 | N.D. | N.D. | 0.0498095389829526 | 0.0498095389829526 | N.A. | 14.56931716996467 | NA
2-Phosphoglyceric acid | C00631 | HMDB03391 | 0.00404387793366959 | 0.0045309132279495 | 0.00626416645174547 | 0.004946319204454853 | 0.001166979806964187 | 0.069663831510733 | N.D. | N.D. | 0.069663831510733 | N.A. | 14.08397408885196 | NA
[NAME] | C00719 | HMDB00043 | 0.0077964514965311 | N.D. | N.D. | 0.0077964514965311 | N.A. | 0.12252778685845 | 0.1200638573451 | 0.0777127874142799 | 0.10676814387261 | 0.02519281725714998 | 13.69445367807581 | NA
Cyclohexylamine | [NAME] | - | 0.0437793857648423 | 0.0520951338214911 | 0.047213403778455 | 0.04769597445492946 | 0.004178824269906471 | 0.11676610003269 | 0.136449893069068 | 1.69356595401371 | 0.6489273157051559 | 0.9047371311118148 | 13.60549444939767 | 0.183353
ADP-glucose GDP-fucose | C00498 ; C00325 | HMDB06557 ; HMDB01095 | 0.00590309332450459 | 0.00646393587207815 | 0.00733248203573353 | 0.006566503744105424 | 0.0007201931325875963 | 0.0724378520063886 | 0.0947022866198777 | N.D. | 0.08357006931313316 | 0.01574333269448255 | 12.72672225126679 | 0.04705819
ppGpp_divalent | [NAME] | - | 0.0017770090168005 | 0.00128172343789956 | 0.00269542626735357 | 0.00191805290735121 | 0.000717327649542264 | 0.0272052698747487 | 0.0203607274922647 | N.D. | 0.0237829986835067 | 0.004839822332773165 | 12.39955300104339 | 0.04929817
5'-Deoxy-5'-methylthioadenosine | [NAME] | HMDB01173 | 0.0148982287297001 | 0.0174009075432412 | 0.0107223313724699 | 0.01434048921513707 | 0.00337404059575123 | 0.243318895063746 | 0.272131690713575 | 0.0140782573618394 | 0.1765096143797202 | 0.1414054581877671 | 12.30847928070724 | 0.09279674
N-Acetylleucine | C02710 | HMDB11756 | 0.00244141669735329 | 0.00198207883434142 | N.D. | 0.002211747765847355 | 0.0003248009177914308 | 0.0170644291096387 | 0.0368877820541845 | N.D. | 0.0269761055819116 | 0.01401722729294265 | 12.19673689670333 | 0.1219451
Arg | C00062,C00792 | HMDB00517,HMDB03416 | 0.110152082979287 | 0.129305925611832 | 0.101914002408347 | 0.1137906703331553 | 0.01405378428200746 | 1.33785550833605 | 1.74169402692852 | 1.02168212989108 | 1.36707722171855 | 0.3608943257639549 | 12.01396579979741 | 0.01316918
3-Hydroxybutyric acid | C01089,C03197 | HMDB00011,HMDB00357,HMDB00442 | 0.0226045006300611 | 0.0273430854256146 | 0.0217657505781904 | 0.02390444554462203 | 0.003007334132706691 | 0.0384924001008734 | 0.0633310693532563 | 0.746027837724316 | 0.2826171023928152 | 0.4015175862747721 | 11.8227842543036 | 0.1907539
Uracil | C00106 | HMDB00300 | 0.0116305764007525 | 0.0129866020289983 | 0.00995891981585937 | 0.01152536608187006 | 0.001516580629026684 | 0.103158711997384 | 0.139718063797102 | 0.158471157724889 | 0.1337826445064584 | 0.02812985184295062 | 11.60766986108188 | 0.01008039
Homoserinelactone | - | - | 0.0100742675360529 | 0.0128726844673404 | 0.00826789119800879 | 0.0104049477338007 | 0.002320138424363365 | 0.145881006864988 | 0.168258080062652 | 0.0476200080677692 | 0.1205863649984698 | 0.06417359491276137 | 11.58932923869885 | 0.04844183
Adenine | [NAME] | HMDB00034 | 0.00999675023627869 | 0.010018416672468 | 0.00910044191446333 | 0.009705202941070008 | 0.0005238504396209448 | 0.0707338999673095 | 0.0999578300551221 | 0.161194029850746 | 0.1106285866243925 | 0.0461644620780154 | 11.39889472648118 | 0.03079825
Citric acid | C00158 | HMDB00094 | 0.0198759246809435 | 0.0164640924343873 | 0.0179967667465544 | 0.01811226128729507 | 0.001708845827266419 | 0.183085352713267 | 0.219726813070711 | N.D. | 0.201406082891989 | 0.02590942509132634 | 11.11987507784388 | 0.03442971
Guanine | C00242 | HMDB00132 | 0.00172625063728164 | 0.00233847439069926 | 0.00202808202208996 | 0.002030935683356953 | 0.0003061218525345092 | N.D. | 0.0119883129009909 | 0.0280354981847519 | 0.0200119055428714 | 0.01134707353310437 | 9.853539778174328 | 0.1330597
[NAME] acid | C00258 | HMDB00139,HMDB06372 | 0.00803032401698631 | 0.00863597697490306 | 0.00801289107793986 | 0.008226397356609743 | 0.0003548134363745589 | 0.0603101095088531 | 0.0954494000452796 | 0.0843821966021175 | 0.08004723538541673 | 0.0179662559097207 | 9.730533539216946 | 0.01012004
2-Oxoglutaric acid | C00026 | HMDB00208 | 0.0150392619894618 | 0.0186935397172484 | 0.0113813876150876 | 0.01503806310726593 | 0.003656076198504695 | 0.127834200692358 | 0.139695117349634 | N.D. | 0.133764659020996 | 0.008386934599448326 | 8.895072328587647 | 0.004341289
Ribose 5-phosphate | C00117 | HMDB01548 | 0.00494026524505945 | 0.00400799511525595 | 0.00472407264126612 | 0.004557444333860507 | 0.0004879606985737719 | N.D. | N.D. | 0.0371327701424788 | 0.0371327701424788 | N.A. | 8.147717760717986 | NA
N-Acetylmuramic acid | C02713 | - | 0.0128512211024888 | 0.0151719315092084 | 0.0121624426789454 | 0.0133951984302142 | 0.001576765440602657 | 0.101652949402783 | 0.173126556486302 | 0.0448995553495647 | 0.1065596870795499 | 0.06425416726642451 | 7.955065961486164 | 0.0633396
GDP-mannose GDP-galactose | C00096 ; C02280 | [NAME] | 0.00549543979847051 | 0.00420630737356288 | 0.0055198052499481 | 0.005073850807327163 | 0.000751413418769634 | 0.033311171737087 | 0.0417251528186551 | N.D. | 0.03751816227787105 | 0.00594958307955212 | 7.394415741135108 | 0.04264573
S-Adenosylmethionine | C00019 | HMDB01185 | 0.0266689325569677 | 0.0275585567910688 | 0.0207647943398074 | 0.02499742789594797 | 0.003692458250935322 | 0.155095619483491 | 0.204479050573812 | 0.18210972166196 | 0.180561463906421 | 0.02472809420722319 | 7.223201709312247 | 0.002176998
Glucose 1-phosphate | C00103 | HMDB01586 | 0.0411110698202383 | 0.0494538584781099 | 0.0476401653110905 | 0.04606836453647956 | 0.004387875215155782 | 0.232444576904559 | 0.437748094483435 | 0.294367278362759 | 0.321519983250251 | 0.1053106624212163 | 6.979192478075776 | 0.02400564
Cytidine | C00475 | HMDB00089 | 0.00751917807810762 | 0.00934124005594618 | 0.00651636581529473 | 0.007792261316449511 | 0.00143209966837909 | 0.0131374632232755 | 0.0533600409650893 | 0.0900161355385236 | 0.05217121324229613 | 0.0384531214305768 | 6.69525971006162 | 0.09239151
Hexylamine | C08306 | - | 0.0199428160842434 | 0.0612180318842597 | 0.0189441297972494 | 0.0333683259219175 | 0.02412372142138619 | 0.031055900621118 | 0.0528479773487153 | 0.553126260588947 | 0.2123433795195935 | 0.2953277038722785 | 6.363620998442681 | 0.2018799
N-Acetylglucosamine 1-phosphate | C04256 | HMDB01367 | 0.0182194099384127 | 0.0209887431699692 | 0.0174589395683543 | 0.0188890308922454 | 0.001857733170520524 | 0.0851158134452111 | 0.149928307297562 | N.D. | 0.1175220603713866 | 0.04582935390860874 | 6.221709363588019 | 0.100917
Adenosine | C00212 | HMDB00050 | 0.0284518304517767 | 0.0441810276629812 | 0.027214901793585 | 0.0332825866361143 | 0.009458568112480626 | 0.0619279176201373 | 0.283743486249585 | 0.26623638563937 | 0.2039692631696974 | 0.1233224737308299 | 6.128407788725599 | 0.06851543
Urocanic acid | C00785 | HMDB00301 | 0.00498197722780247 | 0.00605028827471852 | 0.00620812039432367 | 0.005746795298948219 | 0.0006670365476929228 | 0.0399027459954233 | 0.0301213891984698 | N.D. | 0.03501206759694656 | 0.006916463720330933 | 6.092450796595188 | 0.05307085
2-Amino-2-(hydroxymethyl)-1,3-propanediol | C07182 | - | 0.0557796600568261 | 0.0373491383402211 | 0.0195750246308256 | 0.03756794100929093 | 0.01810330943607817 | 0.0422115070284406 | 0.553902225970661 | 0.0427591770875352 | 0.2129576366955456 | 0.2952668025745635 | 5.668600167437417 | 0.2059214
Trp | C00078,C00525,C00806 | HMDB00929 | 0.041787787447564 | 0.0511489851843882 | 0.0456548918836388 | 0.046197221505197 | 0.004704104253818705 | 0.235677508989865 | 0.341772342540438 | 0.207139975796692 | 0.2615299424423317 | 0.07094173510928738 | 5.661161730536341 | 0.01539883
Malic acid | C00149,C00497,C00711 | HMDB00156,HMDB00744 | 0.202651099256876 | 0.20390466399119 | 0.167565142089117 | 0.1913736351123943 | 0.02062828425161363 | 0.933591630558548 | 1.31178024300052 | 0.998276436423678 | 1.081216103327582 | 0.202276785382786 | 5.64976519724141 | 0.007707271
Glycerol 3-phosphate | C00093 | HMDB00126 | 0.0506492614376656 | 0.0546851271025013 | 0.0522772210794705 | 0.05253720320654579 | 0.002030454615584617 | 0.140963035985847 | 0.381118406158025 | 0.348840577611053 | 0.2903073399183083 | 0.1303390018057929 | 5.525747892916727 | 0.04399957
[NAME] | C00387 | HMDB00133 | 0.00668437638823048 | 0.00840458454898138 | 0.00674682968144132 | 0.007278596872884394 | 0.0009756337881090119 | N.D. | 0.0368987017681255 | 0.0404195240016135 | 0.0386591128848695 | 0.00248959727665173 | 5.311341397253328 | 0.007435142
Fumaric acid | C00122 | HMDB00134 | 0.0489792333185812 | 0.0524629860607357 | 0.0404869590014237 | 0.04730972612691353 | 0.006160093077918211 | 0.184552603223365 | 0.31131235378462 | 0.205364772677896 | 0.233743243228627 | 0.0679780242702517 | 4.940701677316524 | 0.02035361
Uric acid | C00366 | HMDB00289 | 0.0294377647073396 | 0.0336316715114003 | 0.0290353288503917 | 0.0307015883563772 | 0.002545491922252345 | 0.0905110158417203 | 0.187487736774583 | 0.162710195095809 | 0.1469029825707041 | 0.05038374813948399 | 4.784865879429006 | 0.02878236
Glucose 6-phosphate | [NAME] | HMDB01401 | 0.474898339994301 | 0.504798634776663 | 0.475919390923825 | 0.4852054552315963 | 0.01697586963204195 | 1.22656793293442 | 2.62134933212587 | 3.04617412337239 | 2.298030462810893 | 0.9519154324368218 | 4.736200795009624 | 0.04110403
Trimethylamine N-oxide | C01104 | HMDB00925 | 0.00373573756220017 | 0.00424659354846875 | 0.00606984207463572 | 0.00468405772843488 | 0.001227005358712047 | N.D. | 0.0144733275098647 | 0.0295683743444937 | 0.0220208509271792 | 0.01067380997909469 | 4.701233888194882 | 0.1365165
Adenylosuccinic acid | C03794 | HMDB00536 | 0.00652470864597093 | 0.00531998726626551 | 0.0049106871397449 | 0.005585127683993781 | 0.0008390416774361551 | 0.0205644329306036 | 0.037642442079843 | 0.0195530321683588 | 0.0259199690596018 | 0.01016454687421822 | 4.640891046033722 | 0.03492179
CDP | C00112 | HMDB01546 | 0.0139863447329925 | 0.0137012895515533 | 0.0159702171647596 | 0.01455261714976847 | 0.001235923325289025 | 0.0768701712556454 | 0.0969058938948004 | 0.0215228191127268 | 0.0650996280877242 | 0.03904563043095662 | 4.473396600608018 | 0.07610672
Uridine | C00299 | HMDB00296 | 0.0204109013174959 | 0.0217455967698042 | 0.0178551880297067 | 0.0200038953723356 | 0.001976881488811007 | 0.067403563255966 | 0.102563330220789 | 0.0971762807583703 | 0.08904772474504176 | 0.01893693138820356 | 4.451519221010842 | 0.01104538
N-Acetylglucosamine | C00140 | HMDB00215 | 0.0122835105796207 | 0.0133346834673974 | 0.0121281609559641 | 0.0125821183343274 | 0.0006563528670060504 | 0.0390037593984962 | 0.0679237326425494 | 0.0610730133118192 | 0.05600016845095493 | 0.01511262814159029 | 4.450774262563675 | 0.01880372
FAD_divalent | C00016 | HMDB01248 | 0.0257936574967145 | 0.0250948506656507 | 0.0262434501456222 | 0.02571065276932913 | 0.000578781072534287 | 0.0771682065155092 | 0.147128518602369 | N.D. | 0.1121483625589391 | 0.04946941109054577 | 4.361941470919152 | 0.1253536
2-Isopropylmalic acid | C02504 | HMDB00402 | 0.00344928936531048 | 0.00373348919981003 | 0.00303405819436843 | 0.00340561225316298 | 0.0003517551711594599 | 0.00920852533681805 | 0.0203758206927779 | N.D. | 0.01479217301479797 | 0.007896470273712255 | 4.343469518897715 | 0.1424468
Sedoheptulose 7-phosphate | C05382 | HMDB01068 | 0.143418591478239 | 0.15400199356007 | 0.153652926387919 | 0.150357837142076 | 0.006012096951977645 | 0.444034327548392 | 0.863655573164289 | 0.588459365902408 | 0.632049755538363 | 0.2131797105601748 | 4.203636920775384 | 0.02943791
Pyridoxamine 5'-phosphate | C00647 | HMDB01555 | 0.0193673992051495 | 0.0217898980437823 | 0.0187165467294296 | 0.01995794799278713 | 0.001619547152229158 | 0.0570652173913043 | 0.0816289647278532 | 0.102884227511093 | 0.08052613654341684 | 0.02292940458434573 | 4.034790378876588 | 0.02011231
Leu | C00123,C01570,C16439 | HMDB00687 | 0.357658858289431 | 0.418162889455663 | 0.340726422106094 | 0.3721827232837293 | 0.04071005538776257 | 1.08407567832625 | 1.91163890478628 | 1.47924566357402 | 1.491653415562183 | 0.4139211128696905 | 4.007852386057797 | 0.01913704
Argininosuccinic acid | C03406 | HMDB00052 | 0.00344355697074318 | 0.00316121233600617 | 0.00276556639375903 | 0.003123445233502793 | 0.0003405694806400752 | 0.0127084014383785 | 0.015196240850628 | 0.00875352964905203 | 0.01221939064601951 | 0.003249073802333643 | 3.912151400943904 | 0.018344
CMP | C00055 | HMDB00095 | 0.107470757616195 | 0.122902456462631 | 0.108103262818214 | 0.1128254922990133 | 0.008732635385367424 | 0.34325255813598 | 0.491962870726737 | 0.481149428616948 | 0.438788285826555 | 0.08291284026971484 | 3.889088156280017 | 0.01063841
Cytosine | C00380 | HMDB00630 | 0.00335113249793535 | 0.00346499250042719 | 0.00311702378963258 | 0.003311049595998373 | 0.0001774134583220302 | N.D. | 0.0100304226030904 | 0.0148850342880193 | 0.01245772844555485 | 0.003432728842440677 | 3.762471109043747 | 0.08439199
[NAME] | C00025,C00217,C00302 | HMDB00148,HMDB03339 | 10.71924480059116 | 12.75156909887885 | 10.22245934227864 | 11.23109108058289 | 1.339995895884983 | 32.67127747724992 | 53.15719603637545 | 36.72333872705185 | 40.85060408022574 | 10.84868444902019 | 3.637278318475325 | 0.01875887
ADP | C00008 | HMDB01341 | 0.209247879244467 | 0.197639040377419 | 0.20270213600213 | 0.203196351874672 | 0.005820178000437393 | 0.981208494769099 | 1.04771715342238 | 0.167750532276986 | 0.7322253934894882 | 0.4899793384670625 | 3.603536120279916 | 0.1006044
Glutathione (GSH) | C00051 | HMDB00125 | 0.0232283570208312 | 0.0432317146491655 | 0.0252357933430512 | 0.03056528833768263 | 0.01101527197917105 | N.D. | N.D. | 0.106131504638967 | 0.106131504638967 | N.A. | 3.472288678138267 | NA
GABA | C00334 | HMDB00112 | 0.0157449561580041 | 0.0168977716459189 | 0.015308562308787 | 0.01598376337090333 | 0.000821077489038841 | 0.0266018306636155 | 0.0693996807132745 | 0.067991125453812 | 0.05466421227690067 | 0.02431293798241945 | 3.419983830366933 | 0.05374516
6-Phosphogluconic acid | C00345 | HMDB01316 | 0.00486368944458896 | 0.00537739344630173 | 0.00540448168347245 | 0.00521518819145438 | 0.0003047080076634426 | 0.0151615886043543 | 0.0307071164440419 | 0.0070535753081413 | 0.01764076011884583 | 0.01202007573252495 | 3.382574026331786 | 0.1090615
GDP | C00035 | HMDB01201 | 0.0587032338636207 | 0.0460261876555837 | 0.0566165323671315 | 0.05378198462877864 | 0.006797269363570002 | 0.196932529402324 | 0.26146705908988 | 0.0725489912083773 | 0.1769828599001938 | 0.09602604374831437 | 3.290746169405779 | 0.07667761
4-Oxovaleric acid | - | HMDB00720 | 0.012033661820995 | 0.0112338675587239 | 0.0115134855185052 | 0.01159367163274137 | 0.0004058818487905872 | N.D. | 0.0379744924911327 | N.D. | 0.0379744924911327 | N.A. | 3.275450063971968 | NA
Anthranilic acid | C00108 | HMDB01123 | 0.00737905065159253 | 0.00747742217215475 | 0.00660567056342653 | 0.007154047795724604 | 0.0004774488775686898 | N.D. | 0.020392180487364 | 0.0245865268253327 | 0.02248935365634835 | 0.00296585073822263 | 3.143584485106238 | 0.049628
Ala-Ala | C00993 | HMDB03459 | 0.0405445292165684 | 0.0542500743628527 | 0.0465018465917275 | 0.04709881672371621 | 0.006872246499004067 | 0.118625367767244 | 0.196436639657821 | 0.125554659136748 | 0.146872222187271 | 0.04306364335628248 | 3.118384545599736 | 0.02615759
Allantoic acid | C00499 | HMDB01209 | N.D. | 0.00329824598026271 | 0.0047177822649129 | 0.004008014122587805 | 0.001003763733016507 | 0.0105764307602955 | 0.0142932608859708 | N.D. | 0.01243484582313315 | 0.002628195786383453 | 3.10249551094508 | 0.03489071
Ribulose 5-phosphate | C00199,C01101 | HMDB00618 | 0.0163748340388442 | 0.0164620049369314 | 0.0165174799074895 | 0.01645143962775503 | 7.19074424443471e-05 | 0.0271670602260482 | 0.052622443589163 | 0.066794855629807 | 0.0488614531483394 | 0.02007982392757758 | 2.97004117900453 | 0.0540437
Val | C00183,C06417,C16436 | HMDB00883 | 0.671165651488183 | 0.748713680866279 | 0.579645431341933 | 0.666508254565465 | 0.08463029456925168 | 1.55684047074207 | 2.54885689327991 | 1.81847519160951 | 1.974724185210497 | 0.5141346678130009 | 2.962790290568768 | 0.01884818
Nicotinamide | C00153 | HMDB01406 | 0.0527862997116952 | 0.065739926206735 | 0.0381331274522795 | 0.05221978445690323 | 0.01381211566045133 | 0.174852893102321 | 0.230940690984668 | 0.0526220250100847 | 0.1528052030323579 | 0.09118093077395414 | 2.926193675856081 | 0.09779902
GTP | C00044 | HMDB01273 | 0.0207723119923334 | 0.0113559861598918 | 0.0276503976566251 | 0.01992623193628344 | 0.008180088636570673 | 0.0410830142827666 | 0.0695947475662214 | N.D. | 0.055338880924494 | 0.02016083994811308 | 2.777187433200961 | 0.1096399
Ribose 1-phosphate | C00620 | HMDB01489 | 0.00326122820827266 | 0.00321474608202821 | 0.00285163728012513 | 0.003109203856808667 | 0.0002242667007903947 | 0.00737446219919454 | 0.00967474152894121 | N.D. | 0.008524601864067876 | 0.001626543112687117 | 2.741731406707328 | 0.06495534
Fructose 6-phosphate | C00085 | HMDB00124 | 0.151975937180816 | 0.155023823564715 | 0.154628983118726 | 0.1538762479547523 | 0.001657516371744505 | 0.370327915205147 | 0.574130254320428 | 0.27262720333705 | 0.4056951242875417 | 0.1538315703839095 | 2.63650257710233 | 0.05248268
UDP-glucuronic acid | C00167 | HMDB00935 | 0.0182058965618591 | 0.0163586738128662 | 0.0171653886718709 | 0.01724331968219873 | 0.0009260739186896803 | 0.0477467770161321 | 0.0717228888385782 | 0.0160334863780542 | 0.04516771741092149 | 0.02793413768022877 | 2.619432814758444 | 0.1113371
Ophthalmic acid | - | HMDB05765 | 0.0318119072535322 | 0.0428867975874791 | 0.039723328128691 | 0.03814067765656743 | 0.005704549575989528 | 0.112107714939522 | 0.129175577577637 | 0.0535901573215006 | 0.09829114994621986 | 0.03964167049942267 | 2.577068788113028 | 0.05845838
XMP | C00655 | HMDB01554 | 0.00567674426723152 | 0.00604852387836152 | 0.00524617387858315 | 0.005657147341392063 | 0.0004015338219413846 | 0.0124716293358398 | 0.0163308429552486 | N.D. | 0.0144012361455442 | 0.002728876120331443 | 2.545671038152679 | 0.07262745
Acetyl CoA_divalent | C00024 | HMDB01206 | 0.0275988193813351 | 0.0239289833365515 | 0.0320599514802303 | 0.02786258473270563 | 0.004071896346767388 | 0.0636037812268354 | 0.075103765753528 | N.D. | 0.06935377349018171 | 0.008131717042364714 | 2.489136386861228 | 0.02494199
Urea | C00086 | HMDB00294 | 0.781532397759153 | 0.770892797245726 | 0.808078334668103 | 0.786834509890994 | 0.01915137966679454 | 1.65415576985943 | 1.45284496520979 | 2.69995966115369 | 1.935653465407636 | 0.6695180958413484 | 2.460051562400074 | 0.04308756
[NAME] acid | C00074 | HMDB00263 | 0.0209705081817864 | 0.0265884550953203 | 0.0355615943168546 | 0.02770685253132044 | 0.00735955557550069 | 0.0607915510824793 | 0.0744245717304354 | N.D. | 0.06760806140645735 | 0.009640001348225982 | 2.440120592190387 | 0.02039032
AMP | C00020 | HMDB00045 | 0.677674437984299 | 0.693459348596418 | 0.66071806742864 | 0.6772839513364524 | 0.01637413304555337 | 1.297118228295 | 1.97717908082408 | 1.65152151557724 | 1.641939608232106 | 0.3401316664130573 | 2.42430018457125 | 0.01962613
[NAME] | C00188,C00820 | HMDB00167 | 0.183525188650274 | 0.21731357074597 | 0.184463278463727 | 0.195100679286657 | 0.01924264569548437 | 0.403563255966001 | 0.57696014940209 | 0.438221056877773 | 0.4729148207486213 | 0.09175709019997426 | 2.423952712403314 | 0.01502887
[NAME] | C00407,C06418,C16434 | HMDB00172 | 0.255508945794537 | 0.306909732989893 | 0.243839412778069 | 0.2687526971874997 | 0.03355613261573 | 0.588774926446551 | 0.772869664748938 | 0.579023799919322 | 0.646889463704937 | 0.1092109399668948 | 2.407006405794782 | 0.008789807
β-Ala | C00099 | HMDB00056 | 0.0673804221115116 | 0.0917954040592624 | 0.0686350201367803 | 0.07593694876918476 | 0.01374814377258966 | 0.111331317423994 | 0.273923913370884 | 0.161960467930617 | 0.1824052329084983 | 0.0832020394908548 | 2.402061655952635 | 0.07764566
UDP | C00015 | HMDB00295 | 0.0608991575535833 | 0.0586284097966255 | 0.0590404240552378 | 0.05952266380181553 | 0.001209748000129256 | 0.108928066515356 | 0.147437929212889 | 0.169995510044465 | 0.1421205019242367 | 0.03087902912208876 | 2.387670390516054 | 0.02075484
Phe | C00079,C02057,C02265 | HMDB00159 | 0.380723236406894 | 0.445487282369991 | 0.357607900301331 | 0.3946061396927387 | 0.04555488668546454 | 0.666680287675711 | 1.10212657007741 | 0.943081887858007 | 0.9039629152037093 | 0.2203431113752164 | 2.29079789763936 | 0.0252552
5-Oxoproline | C01879 | HMDB00267 | 0.017259960203106 | 0.0256073312910649 | 0.025754897582189 | 0.0228740630254533 | 0.004862515483521337 | 0.034014229273176 | 0.0556335370915402 | 0.0627000564865373 | 0.0507826076170845 | 0.01494549458209103 | 2.220095641101266 | 0.03615693
Pro | C00148,C00763,C16435 | HMDB00162,HMDB03411 | 0.694710040577325 | 0.886759614958641 | 0.702203234560361 | 0.7612242966987757 | 0.1087813131331447 | 1.23087610330173 | 1.77606253200397 | 1.98039532069382 | 1.66244465199984 | 0.3874616513959629 | 2.183909078059402 | 0.0275493
Pterin | C00715 | HMDB00802 | 0.0357474009343816 | 0.037383946484061 | 0.0341432217696167 | 0.0357581897293531 | 0.001620389294976744 | 0.0658303367113435 | 0.0785565830296093 | 0.0785599031867688 | 0.07431560764257387 | 0.007348460371951948 | 2.078282155921608 | 0.004905837
Met | C00073,C00855,C01733 | HMDB00696 | 0.0751619664350091 | 0.101228411039877 | 0.0731809198965217 | 0.08319043245713593 | 0.01565271988698708 | 0.140262340634194 | 0.178890930449712 | 0.194150867285195 | 0.171101379456367 | 0.02777590960999008 | 2.056743478819243 | 0.006851878
GMP | C00144 | HMDB01397 | 0.129700262046893 | 0.133667680842514 | 0.12385436520667 | 0.1290741026986923 | 0.004936531939446899 | 0.165982713954927 | 0.35837295298468 | 0.263965934272844 | 0.262773867070817 | 0.09620065897197382 | 2.03583725609335 | 0.06494629
Thymidine | C00214 | HMDB00273 | 0.0138994481364543 | 0.0171161136390965 | 0.0130730628071651 | 0.01469620819423863 | 0.002136044229330392 | 0.0312602157567832 | 0.0307539383716377 | 0.0219846712384025 | 0.0279996084556078 | 0.005215235516529289 | 1.905226714642251 | 0.01662058
N-Acetylglutamic acid | C00624 | HMDB01138 | 0.0759395456577579 | 0.089844846751593 | 0.0759772623862752 | 0.08058721826520869 | 0.008017363627267887 | 0.154741435307243 | 0.191910044524941 | 0.102675144475182 | 0.1497755414357887 | 0.04482423365970165 | 1.858552071407708 | 0.06125042
Homoserine | C00263 | HMDB00719 | 0.0226499587071306 | 0.0242865912701175 | 0.0211392981222956 | 0.02269194936651457 | 0.001574066692103068 | 0.0453988231448185 | 0.0630139462031988 | 0.013291649858814 | 0.04056813973561043 | 0.02521067859240811 | 1.7877767608399 | 0.1751693
Hypoxanthine | C00262 | HMDB00157 | 0.0437614971572021 | 0.0552088805068065 | 0.0475907883592701 | 0.04885372200775957 | 0.005827254708571198 | 0.0500163452108532 | 0.118256573993192 | 0.0872730939895119 | 0.08518200439785235 | 0.03416813863567562 | 1.743613401335576 | 0.1045357
Gly | C00037 | HMDB00123 | 0.372828397568341 | 0.342540614775107 | 0.299378323721069 | 0.3382491120215056 | 0.0369126141577044 | 0.490070284406668 | 0.724901352450375 | 0.520088745461879 | 0.578353460772974 | 0.1277986322984299 | 1.709844727504274 | 0.03518413
Ser | C00065,C00716,C00740 | HMDB00187,HMDB03406 | 0.0442802667787686 | 0.0573543279180299 | 0.0690383319025368 | 0.05689097553311177 | 0.01238553465711689 | 0.0908180778032036 | 0.105229073164854 | 0.0944534086325131 | 0.0968335198668569 | 0.007494524264038679 | 1.702089284978032 | 0.006050506
ATP | C00002 | HMDB00538 | 0.180220020292587 | 0.140358110188553 | 0.20765475898423 | 0.17607762982179 | 0.03383902013787631 | 0.264028672520384 | 0.318451437627348 | N.D. | 0.291240055073866 | 0.0384827062580575 | 1.654043477122182 | 0.04664272
Triethanolamine | C06771 | - | 0.180126353198632 | 0.201558139093342 | 0.182901885770584 | 0.188195459354186 | 0.01165533365558144 | 0.259909284079764 | 0.270038254164282 | 0.399677289229528 | 0.3098749424911913 | 0.07793583975635089 | 1.646559080408009 | 0.05435043
dTDP | C00363 | HMDB01274 | 0.00535917991822154 | 0.00489100653908578 | 0.00501867193380846 | 0.00508961946370526 | 0.0002420159958178219 | 0.00529585730988789 | 0.0059995472039846 | 0.0125863592254102 | 0.00796058791309423 | 0.004021456830819832 | 1.564083124457972 | 0.1733029
[NAME] | C01181 | HMDB01161 | 0.0121523274569257 | 0.00949945889158212 | 0.0110305767934409 | 0.01089412104731624 | 0.001331688039382668 | 0.0147311212814645 | 0.0171390704539293 | 0.0189995966115369 | 0.01695659611564357 | 0.002140080155965843 | 1.556490518326012 | 0.007861853
UMP | C00105 | HMDB00288 | 0.326920110043929 | 0.363529331948626 | 0.300362325677945 | 0.3302705892235001 | 0.03171650916083892 | 0.390961125503412 | 0.652139461172741 | 0.486855377632076 | 0.5099853214360763 | 0.1321165261465511 | 1.54414391737122 | 0.06719469
Benzoic acid | C00180 | HMDB01870 | 0.232704848712118 | 0.198947901282245 | 0.184278672059615 | 0.2053104740179927 | 0.0248321443930668 | 0.337918491177392 | 0.260335069051392 | N.D. | 0.299126780114392 | 0.054859763892953 | 1.456948465708465 | 0.1096744
Citrulline | C00327 | HMDB00904 | 0.116559185949094 | 0.142207089469587 | 0.118504519972574 | 0.125756931797085 | 0.01427942039101598 | 0.143960444589735 | 0.230458748757492 | 0.167386042759177 | 0.1806017453688014 | 0.04473790621580282 | 1.436117618233651 | 0.08765536
NADP+ | C00006 | HMDB00217 | 0.0856522850556694 | 0.084121972476346 | 0.0852754870323891 | 0.08501658152146817 | 0.0007973319229140297 | 0.141513254927134 | 0.174039695117349 | 0.0477383659458598 | 0.1210971053301143 | 0.06557911871089102 | 1.424393961306656 | 0.2241596
dAMP | C00360 | HMDB00905 | 0.00815982720895846 | 0.0100105940495885 | 0.00818482803159446 | 0.008785083096713808 | 0.001061397231009671 | 0.00815393903268453 | 0.0167987321711568 | N.D. | 0.01247633560192066 | 0.006112791850168683 | 1.42017274789212 | 0.2726001
Valeric acid | C00803 | HMDB00892 | 0.0218792827550171 | 0.0181956715740252 | 0.0218884129170781 | 0.0206544557487068 | 0.002129374451150696 | 0.0288024331904292 | N.D. | N.D. | 0.0288024331904292 | N.A. | 1.394490057780029 | NA
CTP | C00063 | HMDB00082 | 0.0137937791171035 | 0.00975383186251741 | 0.0172010341378724 | 0.0135828817058311 | 0.003728077751479206 | 0.0147947759768296 | 0.0228888385782205 | N.D. | 0.01884180727752505 | 0.005723366552791933 | 1.387173037768289 | 0.1909934
Tyramine | C00483 | HMDB00306 | 0.0151546321058767 | 0.0104519362821105 | 0.0119725978463151 | 0.01252638874476743 | 0.002399760461405157 | 0.0124223602484472 | 0.0139612638934907 | 0.0252722872125857 | 0.01721863711817453 | 0.007016980546473581 | 1.374589075033071 | 0.1852396
Lactic acid | C00186,C00256,C01432 | HMDB00190,HMDB01311 | 1.12126791507743 | 1.12639275220883 | 1.22098721166487 | 1.156215959650376 | 0.05615204630776837 | 1.74684579349977 | 1.93691796845521 | 1.08309314485175 | 1.58895230226891 | 0.4482766704616384 | 1.37426947708747 | 0.1056944
2-Hydroxyvaleric acid | - | HMDB01863 | 0.0278082767179161 | 0.0271572981520428 | 0.028583470149019 | 0.02784968167299263 | 0.0007139869879545706 | 0.0383166357168512 | 0.0350464115915779 | N.D. | 0.03668152365421455 | 0.002312397654980597 | 1.317125419418587 | 0.03877035
NAD+ | C00003 | HMDB00902 | 0.259184310068929 | 0.256152637813972 | 0.236696378210975 | 0.2506777753646254 | 0.0122027603000897 | 0.321167381187097 | 0.425681080673156 | 0.2358964703156 | 0.3275816440586177 | 0.09505475610552631 | 1.306783752896048 | 0.1489189
Diethanolamine | C06772 | HMDB04437 | 0.0742049259262572 | 0.0586675442538083 | 0.051234998242713 | 0.06136915614092617 | 0.01172085425804258 | 0.0870995423340961 | 0.0479231302147655 | 0.100847115772488 | 0.0786232627737832 | 0.02746129181624452 | 1.281152743786068 | 0.1990952
UDP-glucose | C00029 | HMDB00286 | 0.102816525508187 | 0.0839821101468032 | 0.0799622158060383 | 0.08892028382034282 | 0.01220118999987158 | 0.128124594022482 | 0.16535355822202 | 0.0379523389232127 | 0.1104768303892382 | 0.06550839900842353 | 1.242425525906428 | 0.2969513
Ala | C00041,C00133,C01401 | HMDB00161,HMDB01310 | 1.58764970528518 | 1.82573461005385 | 1.45005848020603 | 1.62114759851502 | 0.1900650422157833 | 1.28914677999346 | 2.87028223741679 | 1.87565550625252 | 2.011694841220923 | 0.7992980415178711 | 1.240907887143432 | 0.2415869
dADP | C00206 | HMDB01508 | 0.00788392910432214 | 0.00775087805361737 | 0.00666255695411589 | 0.007432454704018467 | 0.0006700616050052408 | N.D. | 0.00893517470379594 | N.D. | 0.00893517470379594 | N.A. | 1.202183539573407 | NA
UDP-N-acetylglucosamine | C00043 | HMDB00290 | 0.0689024548174624 | 0.0728964549074455 | 0.0673604951784265 | 0.0697198016344448 | 0.002857053446254277 | 0.072002262011203 | 0.085253943098634 | N.D. | 0.0786281025549185 | 0.009370353559043781 | 1.12777289538461 | 0.1964306
[NAME] acid | C00666 | HMDB01370 | 0.0376912962979526 | 0.0388996829294533 | 0.0334921613477526 | 0.0366943801917195 | 0.002838257159999766 | 0.0410673422687152 | 0.049881020512666 | 0.0323315853166599 | 0.04109331603268037 | 0.008774746429499564 | 1.119880369091329 | 0.2498895
Butyric acid | [NAME] | HMDB00039 | 0.0126586554865997 | 0.014403732445451 | 0.0125954302512586 | 0.01321927272776977 | 0.001026259214186706 | N.D. | 0.0144668326918723 | N.D. | 0.0144668326918723 | N.A. | 1.094374326772288 | NA
5-Aminoimidazole-4-carboxamide ribotide | C04677 | HMDB01517 | 0.0149761995655449 | 0.0145039323233324 | 0.0126069626079061 | 0.0140290314989278 | 0.001253981273833671 | 0.0142063473868421 | 0.0159082333408799 | N.D. | 0.015057290363861 | 0.001203415098906267 | 1.07329507136767 | 0.3187194
His | C00135,C00768,C06419 | HMDB00177 | 0.0248264059700246 | 0.0281091583390819 | 0.0249534751070216 | 0.02596301313870937 | 0.001859701873205981 | N.D. | 0.0221693424500737 | 0.0304759983864461 | 0.0263226704182599 | 0.00587369274159244 | 1.013852678717568 | 0.5
Suberic acid | C08278 | HMDB00893 | 0.00559228566377142 | 0.00719351623290209 | 0.0170060324709227 | 0.009930611455865403 | 0.006179576987069219 | N.D. | 0.00867104369481548 | N.D. | 0.00867104369481548 | N.A. | 0.8731631212591673 | NA
2-Aminobutyric acid | C02261,C02356 | HMDB00452 | 0.0678753402562244 | 0.0890044237986443 | 0.0747884053628941 | 0.07722272313925427 | 0.0107728348224999 | 0.0530606407322654 | 0.0828639416849905 | 0.0478620411456232 | 0.06126220785429304 | 0.01888736450076567 | 0.7933184089328223 | 0.8559426
[NAME] acid | C08261 | HMDB00784 | 0.00944472409626479 | 0.0121982913833323 | 0.029539607354708 | 0.0170608742781017 | 0.01089424699550149 | 0.00881878692007305 | 0.0179231756093879 | N.D. | 0.01337098126473047 | 0.006437774980772635 | 0.783721926952633 | 0.664776
[NAME] acid | C02679 | [NAME] | 0.0593969205267063 | 0.04999869531409 | 0.109682147282871 | 0.07302592104122242 | 0.03209113352619318 | 0.0440175153029643 | 0.0678514829069504 | N.D. | 0.05593449910495735 | 0.01685316011535904 | 0.765954038065235 | 0.7499978
Pelargonic acid | C01601 | HMDB00847 | 0.0798190108433585 | 0.0733692730811984 | 0.0936364456018736 | 0.08227490984214351 | 0.01035437832102328 | 0.0564585769198438 | 0.0604105350539581 | N.D. | 0.05843455598690095 | 0.002794456395597558 | 0.7102354302060764 | 0.9757509
dTMP | C00364 | HMDB01227 | 0.0243871402204256 | 0.0261385993935819 | 0.0218401866983701 | 0.0241219754374592 | 0.002161439843295138 | 0.0167205422713343 | 0.0172288883857822 | N.D. | 0.01697471532855825 | 0.0003594549847159421 | 0.703703366773108 | 0.9869258
N-Acetylornithine | C00437 | HMDB03357 | 0.0278197663151555 | 0.0283907878665139 | 0.0323571268069807 | 0.02952256032955003 | 0.002471354231845205 | 0.0203293559986923 | N.D. | N.D. | 0.0203293559986923 | N.A. | 0.6886040970621382 | NA
Adipic acid | C06104 | HMDB00448 | 0.00559679012262263 | 0.00817359628842952 | 0.0160226369677031 | 0.009931007792918417 | 0.005430556325677053 | N.D. | 0.00658818202399818 | N.D. | 0.00658818202399818 | N.A. | 0.6633951116920951 | NA
Isobutyryl CoA_divalent | C00630 | HMDB01243 | 0.00417450724035454 | 0.00376480166164797 | 0.00437600514972144 | 0.004105104683907983 | 0.000311456196100322 | 0.00270524312799468 | N.D. | N.D. | 0.00270524312799468 | N.A. | 0.6589949188383033 | NA
UTP | C00075 | HMDB00285 | 0.0465929962421552 | 0.0373317607519165 | 0.0580559801559594 | 0.0473269123833437 | 0.01038158427955241 | 0.0256386742780286 | 0.0320277714889442 | N.D. | 0.0288332228834864 | 0.004517773963498479 | 0.6092352412500506 | 0.9600353
Succinic acid | C00042 | HMDB00254 | 0.920720398104073 | 0.984595312524462 | 0.756697678222088 | 0.8873377962835409 | 0.1175590554078508 | 0.404815944122209 | 0.882778658214474 | 0.321451848847819 | 0.5363488170615007 | 0.3028986946590972 | 0.6044471669164819 | 0.9146035
3-Ureidopropionic acid | C02642 | HMDB00026 | 0.0299692908517819 | 0.0341431083880866 | 0.0307190529209362 | 0.03161048405360157 | 0.002225123660564725 | 0.0136255607265946 | 0.0203607274922647 | N.D. | 0.01699314410942965 | 0.00476248209242759 | 0.5375793702056113 | 0.954415
[NAME] | C00152,C01905,C16438 | HMDB00168 | 0.0410036701460008 | 0.0454942439987595 | 0.0403830309455356 | 0.04229364836343197 | 0.002789114119204657 | 0.0211261850277868 | 0.0232235910720202 | N.D. | 0.0221748880499035 | 0.00148309003677909 | 0.5243077603368076 | 0.9991672
S-Adenosylhomocysteine | C00021 | HMDB00939 | 0.0162667072141773 | 0.0207772974957122 | 0.0164724048328272 | 0.01783880318090557 | 0.002546888200568047 | 0.00831562602157567 | 0.0118527666495978 | 0.00756353368293666 | 0.009243975451370044 | 0.002290361185145879 | 0.5181948226921793 | 0.9904448
dCMP | C00239 | HMDB01202 | 0.0127881586785719 | 0.0144068636916348 | 0.012430832070016 | 0.0132086181467409 | 0.001052979043328535 | 0.00438646767081623 | 0.00895781450456569 | N.D. | 0.00667214108769096 | 0.003232430345299893 | 0.5051354360892966 | 0.8971059
Tyr | C00082,C01536,C06420 | HMDB00158 | 0.0500702127849878 | 0.0601358150485098 | 0.0480891664698121 | 0.0527650647677699 | 0.006459652150192632 | 0.0287675711016672 | N.D. | 0.0150463896732553 | 0.02190698038746125 | 0.009702340433920976 | 0.4151796360694042 | 0.9563456
Gln | C00064,C00303,C00819 | HMDB00641,HMDB03423 | 0.560014787915649 | 0.810662683771177 | 0.85458018125983 | 0.7417525509822186 | 0.1589139626960046 | 0.196755475645635 | 0.295972770264164 | 0.137515127067365 | 0.2100811243257213 | 0.08006488528955637 | 0.2832226516073788 | 0.9928832
CMP-N-acetylneuraminate | C00128 | HMDB01176 | 0.0361077421512619 | 0.0386802841084037 | 0.0336964977281257 | 0.03616150799593043 | 0.002492328177748832 | 0.00640393712220209 | N.D. | N.D. | 0.00640393712220209 | N.A. | 0.1770926456640796 | NA
Glutathione (GSSG)_divalent | C00127 | HMDB03337 | 2.50232402827592 | 2.90373966039909 | 2.36784913835322 | 2.591304275676077 | 0.2788059831230166 | 0.399170480549199 | 0.286725503780234 | 0.0185356998789834 | 0.2348105614028055 | 0.195555823220646 | 0.09061481648716953 | 0.9998088
Glyoxylic acid | C00048 | HMDB00119 | 0.00250898358012137 | 0.00305714002411059 | 0.00254969921517071 | 0.002705274273134224 | 0.0003054039468752649 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Propionic acid | C00163 | HMDB00237 | 0.0171450965024003 | 0.0163795487874249 | 0.0167292559113811 | 0.0167513004004021 | 0.000383249651791312 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Glycolic acid | C00160 | [NAME] | 0.0396662646437142 | 0.0378995600599111 | 0.0451460310870399 | 0.04090395193022173 | 0.003778457086052594 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
3-Hydroxypropionic acid | C01013 | HMDB00700 | 0.00717109849111889 | 0.00643679840515194 | 0.00650320075316772 | 0.006703699216479516 | 0.0004061389902552592 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
2-Hydroxybutyric acid | C05984 | HMDB00008 | 0.00180966634347174 | 0.00241314705897702 | 0.00203913033450124 | 0.002087314578983333 | 0.0003046121050761505 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
2-Hydroxyisobutyric acid | - | HMDB00729 | 0.00585692262127973 | 0.00512480625414237 | 0.00623795655027373 | 0.005739895141898609 | 0.0005657273801417579 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Methyl sulfate | C02704 | - | 0.00514521812278929 | 0.00583246789167975 | 0.00603142252667643 | 0.00566970284704849 | 0.0004649826944979805 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
2-Furoic acid | C01546 | HMDB00617 | 0.00222069821364423 | 0.00189962268483485 | 0.0018650965887289 | 0.00199513916240266 | 0.0001961011907812577 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Hexanoic acid | C01585 | HMDB00535 | 0.0210583451293849 | 0.0231806154986248 | 0.0225331764932829 | 0.02225737904043086 | 0.001087683803450325 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Citraconic acid | C02226 | HMDB00634 | 0.00959337123835456 | 0.0109238741865283 | 0.0147100451019984 | 0.01174243017562709 | 0.002654734127401672 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
5-Oxohexanoic acid | C02129 | - | 0.0178905844422747 | 0.0146813696070807 | 0.0178300717731941 | 0.01680067527418317 | 0.001835621918789185 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Heptanoic acid | - | HMDB00666 | 0.0154728161538903 | 0.0151688002630246 | 0.0182745917021548 | 0.01630540270635657 | 0.001712128906173351 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Glutaric acid | C00489 | HMDB00661 | 0.00511481302554366 | 0.00545567460089658 | 0.00766587198245404 | 0.006078786536298093 | 0.001384982604020005 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
2-Hydroxy-4-methylvaleric acid | C03264 | HMDB00624 | 0.00306528424824523 | 0.00282855905269365 | 0.00436027920883839 | 0.003418040836592423 | 0.0008245420347997912 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
o-Hydroxybenzoic acid | C00805 | HMDB01895 | 0.0016959287574788 | 0.0014769044500227 | 0.00215340550491802 | 0.00177541290413984 | 0.0003451835982436672 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
6-Hydroxynicotinic acid | C01020 | HMDB02658 | 0.00166327143080757 | 0.00155518560461754 | 0.00193324233255542 | 0.001717233122660177 | 0.0001947193378313279 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Octanoic acid | C06423 | HMDB00482 | 0.0265751811073986 | 0.0277094412291185 | 0.0321941461757656 | 0.0288262561707609 | 0.002971304228834358 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Citramalic acid | C02612,C02614 | HMDB00426 | 0.0718641365121299 | 0.0739349848917371 | 0.0591169569675353 | 0.0683053594571341 | 0.00802447247399974 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
3-Phenylpropionic acid | C05629 | HMDB00764 | 0.0348127102315404 | 0.0336775964554293 | 0.038989849429358 | 0.03582671870544257 | 0.002797528874491311 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Orotic acid | C00295 | HMDB00226 | 0.00584115701530052 | 0.00670504182823027 | 0.00523673831405333 | 0.005927645719194706 | 0.0007379627526928852 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Dihydroorotic acid | C00337 | [NAME] | 0.0171360875846979 | 0.0206839685414133 | 0.013693100924895 | 0.0171710523503354 | 0.003495564962784718 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Pimelic acid | C02656 | HMDB00857 | 0.00271506257256401 | 0.00301330257753748 | 0.00657029810093537 | 0.004099554417012287 | 0.00214491667411021 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
8-Hydroxyoctanoic acid | - | - | 0.0044763059833853 | 0.00455387569996399 | 0.00529649688940889 | 0.004775559524252727 | 0.0004528090867511481 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Phthalic acid | C01606 | HMDB02107 | 0.00276461161992727 | 0.00577193046545974 | 0.00828232886506933 | 0.005606290316818779 | 0.002762585454509214 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Decanoic acid | C01571 | HMDB00511 | 0.0411313398850687 | 0.0319585423005265 | 0.0774827591268118 | 0.050190880437469 | 0.02407633767160401 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
N-Carbamoylaspartic acid | C00438 | HMDB00828 | 0.0160336212808654 | 0.0158388869463565 | 0.0122903469981275 | 0.01472095174178313 | 0.002107216156489435 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Homocysteic acid | C16511 | HMDB02205 | 0.00340311866208563 | 0.00383577657514729 | 0.00324897938643669 | 0.00349595820788987 | 0.0003042155832933597 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Undecanoic acid | - | HMDB00947 | 0.01487372312668 | 0.0136626708486199 | 0.0214585705329416 | 0.01666498816941383 | 0.004195293292726025 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
10-Hydroxydecanoic acid | C02774 | - | 0.00451346776890774 | 0.00324501479513821 | 0.0072234488456111 | 0.004993977136552349 | 0.002032277371026455 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Quinic acid | C00296 | HMDB03072 | 0.0127712669578799 | 0.0126356221003355 | 0.0108655767541238 | 0.0120908219374464 | 0.001063258764970214 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
trans-Ferlic acid | C01494 | HMDB00954 | 0.00103489942106442 | 0.00118465480620195 | 0.00159146521736395 | 0.001270339814876773 | 0.0002880066178689925 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
[NAME] acid | [NAME] | HMDB00792 | 0.00440761298590442 | 0.00382638283659591 | 0.0151126291886043 | 0.007782208337034875 | 0.006354979112275599 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Pantothenic acid | C00864 | HMDB00210 | 0.00139075167030964 | 0.00165538548249894 | 0.00160823955430586 | 0.00155145890237148 | 0.0001411587597849681 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Dodecanedioic acid | C02678 | HMDB00623 | 0.00279726894659851 | 0.00168356669815308 | 0.00362640196762972 | 0.002702412537460436 | 0.000974884877740197 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
2-Deoxyglucose 6-phosphate | C06369 | - | 0.00337496579426559 | 0.00349551448984171 | 0.00342615832038564 | 0.003432212868164313 | 6.050198478462663e-05 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Shikimate 3-phosphate | C03175 | - | 0.00163399244827473 | 0.00163555425666824 | 0.00177598292372499 | 0.001681843209555987 | 8.153112380699001e-05 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Glucosamine 6-phosphate | C00352 | HMDB01254 | 0.00549431368375771 | 0.00478245667138093 | 0.00481108951415229 | 0.005029286623096977 | 0.0004029796338295067 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
3'-AMP | C01367 | [NAME] | N.D. | N.D. | 0.00171832114048716 | 0.00171832114048716 | N.A. | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
IMP | C00130 | HMDB00175 | 0.0400986926934299 | 0.043260253526566 | 0.0368301535480867 | 0.04006303325602753 | 0.003215198303358093 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
NADPH_divalent | C00005 | HMDB00221 | 0.00164637971011555 | 0.0010594049588502 | 0.00269332947523583 | 0.00179970471473386 | 0.0008276827587260756 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
CoA_divalent | C00010 | HMDB01423 | 0.0018637198496862 | 0.0034015771043279 | 0.0025947802457021 | 0.002620025733238733 | 0.0007692393872483703 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
dCDP | C00705 | HMDB01245 | 0.00214975298673774 | 0.00235052213530114 | 0.00231276170586619 | 0.002271012275968357 | 0.0001066973473255718 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
dCTP | C00458 | HMDB00998 | 0.00255853262748463 | 0.00203426627073798 | 0.00331607673420434 | 0.00263629187747565 | 0.0006444333881653988 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
dTTP | C00459 | HMDB01342 | 0.004563016816271 | 0.00374288293836141 | 0.00483625101956516 | 0.004380716924732524 | 0.000569024057566987 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
dATP | C00131 | HMDB01532 | 0.0041407237989705 | 0.00323144606167511 | 0.00414640641282901 | 0.00383952542449154 | 0.0005266198407176591 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
dGTP | C00286 | [NAME] | 0.00184682812899418 | 0.00120761727821644 | 0.00214292154432933 | 0.001732455650513317 | 0.0004780264798393858 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
ADP-ribose | C00301 | HMDB01178 | 0.00337046133541439 | 0.00307801499866922 | 0.00316615609778599 | 0.003204877477289867 | 0.0001500190784264782 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
dTDP-glucose | C00842 | HMDB01328 | 0.00338960528553201 | 0.00363120182447277 | 0.00390842050746562 | 0.003643075872490133 | 0.0002596113506566003 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
NADH | C00004 | HMDB01487 | 0.0036350982929227 | 0.00362389558337725 | 0.00512351153969542 | 0.00412750180533179 | 0.0008625879192207725 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
1-Methyl-2-pyrrolidone | C11118 | - | N.D. | 0.0230176762083172 | N.D. | 0.0230176762083172 | N.A. | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
3-Aminoisobutyric acid | C05145 | HMDB03911 | 0.0154020911782331 | 0.0223721433589225 | 0.0182527381988096 | 0.01867565757865507 | 0.003504219235688589 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
2-Methylserine | C02115 | - | 0.00513403039274438 | 0.0058952338157953 | 0.00472450925600502 | 0.0052512578215149 | 0.0005941007500972766 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Nicotinic acid | C00253 | HMDB01488 | 0.00260875528086604 | 0.00248087134277161 | 0.00313142778126674 | 0.002740351468301463 | 0.0003446651814841779 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Histidinol | C00860 | HMDB03431 | 0.012522025348157 | 0.0172838256048706 | 0.0114828621307536 | 0.0137629043612604 | 0.003093158555729118 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Stachydrine | C10172 | HMDB04827 | 0.00134462700762352 | 0.00298400724009391 | 0.00382570017803333 | 0.002718111475250253 | 0.001261727560748829 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Carnitine | C00318,C00487,C15025 | HMDB00062 | 0.0062580312394718 | 0.00448075742520995 | 0.00443354862499495 | 0.005057445763225567 | 0.001040005424040895 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Pyridine-2-carboxylic acid butyl ester | - | - | 0.0142274059431917 | 0.0254953831743761 | 0.0196844949672453 | 0.01980242802827103 | 0.005634914274040445 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
S-Lactoylglutathione | C03451 | HMDB01066 | 0.0347277502988888 | 0.0408615964913391 | 0.0240633084240304 | 0.0332175517380861 | 0.008500361478658394 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
Cysteine glutathione disulphide | - | HMDB00656 | 0.00300230464895098 | 0.00292704845926497 | 0.00331579887418401 | 0.003081717327466653 | 0.0002061831744025362 | N.D. | N.D. | N.D. | N.D. | N.A. | <1 | NA
In blue those metabolites detected only in free-living conditions.
In red the metabolites detected only during bacterial nitrogen fixation.
§  p-value in [NAME] t-test.
#　In ratio calculation is Bacteroid conditions as numerator and the free living condition was denominator.
In [NAME] where peak intensity was saturated, Relative area was calculated using 13C data.
They were sorted by the ratio (Bac/VL) in descending order.
N.D. ; not detected.　N.A. is not available.