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Added taxonomy tables with read counts + some updates in metabolite m…
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…appings to hmdb/kegg
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@efratmuller
efratmuller committed Jan 29, 2024
1 parent 219135a commit 7b148f6
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Binary file modified data/processed_data/KOSTIC_INFANTS_DIABETES_2015/.RData
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104 changes: 104 additions & 0 deletions data/processed_data/KOSTIC_INFANTS_DIABETES_2015/genera.counts.tsv
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28 changes: 14 additions & 14 deletions data/processed_data/KOSTIC_INFANTS_DIABETES_2015/mtb.map.tsv
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Expand Up @@ -4,7 +4,7 @@ Compound Compound.Original.ID m.z RT..min. High.Confidence.Annotation HMDB KEGG
12-HETE 12241 319.2283 9.77 TRUE HMDB0006111 C14777
15-HETE 12086 319.2285 9.64 TRUE HMDB0003876 C04742
2-deoxyadenosine 4760 252.1089 5.32 TRUE HMDB0000101 C00559
2-deoxycytidine TF18 228.0979 6.1 TRUE HMDB0000014 C00881
2-deoxycytidine TF18 228.0979 6.1 TRUE NA NA
2-hydroxyglutarate 12325 147.028584593016 7.01 TRUE HMDB0059655 C02630
3-hydroxyanthranilic acid 1319 154.0497 1.9 TRUE HMDB0001476 C00632
3-methyladipate/pimelate 12148 159.064999087762 6.9 FALSE NA NA
Expand All @@ -21,7 +21,7 @@ adenosine 4624 268.1037 5.12 TRUE HMDB0000050 C00212
adipate 12354 145.049384990926 7.03 TRUE HMDB0000448 C06104
ADMA TF10 203.1503 9.92 TRUE HMDB0001539 C03626
Adrenic acid 15537 331.265 12.61 TRUE HMDB0002226 C16527
alanine TF2 90.055 7.98 TRUE HMDB0000161 C00041
alanine TF2 90.055 7.98 TRUE NA C01401
alpha-glycerophosphocholine 9439 258.1095 10.65 TRUE HMDB0000086 C00670
alpha-hydroxybutyrate 7196 103.038556148228 3.79 TRUE HMDB0000008 C05984
alpha-ketoglutarate 13001 145.01294476768 7.59 TRUE HMDB0000208 C00026
Expand All @@ -40,16 +40,16 @@ butyrobetaine TF20 146.1176 9.02 TRUE HMDB0001161 C01181
C10:2 carnitine TF29 312.2169 7.36 TRUE NA NA
C12 carnitine 6642 344.279 7.06 TRUE HMDB0002250 NA
C12:1 carnitine TF30 342.2639 7.09 TRUE NA NA
C14 carnitine 6482 372.3105 6.92 TRUE NA NA
C14:1 carnitine 6506 370.2948 6.95 TRUE HMDB0240588 NA
C14 carnitine 6482 372.3105 6.92 TRUE HMDB0005066 NA
C14:1 carnitine 6506 370.2948 6.95 TRUE NA NA
C14:2 carnitine TF31 368.2795 6.55 TRUE NA NA
C16-OH carnitine TF32 416.3371 7.24 TRUE NA NA
C16 carnitine 6357 400.3418 6.79 TRUE NA NA
C16 carnitine 6357 400.3418 6.79 TRUE HMDB0000222 C02990
C18 carnitine 6250 428.3733 6.69 TRUE NA NA
C18:1-OH carnitine 6759 442.3522 7.17 TRUE NA NA
C18:1 carnitine 6274 426.3573 6.71 TRUE NA NA
C18:2 carnitine 6316 424.3416 6.76 TRUE NA NA
C2 carnitine 8773 204.1229 8.93 TRUE NA NA
C18:2 carnitine 6316 424.3416 6.76 TRUE HMDB0006469 NA
C2 carnitine 8773 204.1229 8.93 TRUE HMDB0000201 C02571
C20 carnitine 6141 456.4045 6.59 TRUE NA NA
C20:4 carnitine TF33 448.3421 5.24 TRUE NA NA
C22:6 carnitine 6184 472.3421 6.63 TRUE NA NA
Expand All @@ -62,7 +62,7 @@ C4 carnitine 8179 232.154 8.24 TRUE NA NA
C5-DC carnitine TF26 276.1442 8.57 TRUE NA NA
C5 carnitine 7881 246.1697 7.99 TRUE NA NA
C5:1 carnitine TF25 244.1543 8.04 TRUE NA NA
C6 carnitine TF27 260.1856 7.71 TRUE NA NA
C6 carnitine TF27 260.1856 7.71 TRUE HMDB0000756 NA
C7 carnitine TF28 274.2013 7.57 TRUE NA NA
C9 carnitine 6954 302.2317 7.34 TRUE NA NA
carnitine 8856 162.1123 9.11 TRUE HMDB0000062 C00318
Expand All @@ -81,15 +81,15 @@ cytosine 5779 112.0509 6.3 TRUE HMDB0000630 C00380
Deoxycholic acid/Chenodeoxycholic acid 11051 391.2861 8.74 FALSE NA NA
dimethylglycine 8596 104.071 8.72 TRUE HMDB0000092 C01026
Docosahexaenoic acid 14499 327.235 11.75 TRUE HMDB0002183 C06429
Docosapentaenoic acid 14943 329.2492 12.07 TRUE HMDB0006528 C16513
Docosapentaenoic acid 14943 329.2492 12.07 TRUE HMDB0001976 C16513
Eicosapentaenoic acid 14011 301.2178 11.33 TRUE HMDB0001999 C06428
fructose/glucose/galactose 2917 179.054986269836 2.11 FALSE NA NA
fumarate/maleate 12701 115.00229421735 7.27 FALSE NA NA
GABA TF9 104.0706 7.75 TRUE HMDB0000112 C00334
Gamma-Linolenic acid 14109 277.2177 11.41 TRUE HMDB0003073 C06426
gentisate 9539 153.01813672622 4.64 TRUE HMDB0000152 C00628
glucuronate 9849 193.034441700502 4.86 TRUE HMDB0000127 C00191
glutamate 7718 148.0603 7.86 TRUE HMDB0000148 C00025
glutamate 7718 148.0603 7.86 TRUE HMDB0000148 C00302
glutamine 8178 147.0763 8.24 TRUE HMDB0000641 C00064
glycine TF1 76.0393 8.1 TRUE HMDB0000123 C00037
Glycochenodeoxycholic acid 8650 448.3079 6.85 TRUE HMDB0000637 C05466
Expand Down Expand Up @@ -118,11 +118,11 @@ isocitrate 13776 191.018672511853 8.8 TRUE HMDB0000193 C00311
isoleucine TF6 132.1019 7.24 TRUE HMDB0000172 C00407
kynurenic acid 4833 190.0497 5.4 TRUE HMDB0000715 C01717
lactate 7778 89.0227608327148 3.94 TRUE HMDB0000190 C00186
lactose 3466 341.108864325194 2.55 TRUE HMDB0041627 C01970
lactose 3466 341.108864325194 2.55 TRUE HMDB0000186 C00243
leucine TF5 132.1019 7.1 TRUE HMDB0000687 C00123
Linoleic acid 14913 279.2336 12.05 TRUE HMDB0000673 C01595
lithocholate 7316 375.290391586355 3.82 FALSE HMDB0000717 C17658
Lithocholic acid 13035 375.2907 10.45 FALSE HMDB0000717 C17658
lithocholate 7316 375.290391586355 3.82 FALSE HMDB0000761 C03990
Lithocholic acid 13035 375.2907 10.45 FALSE HMDB0000761 C03990
lysine 9134 147.1127 9.6 TRUE HMDB0000182 C00047
malate 12607 133.012918467311 7.17 TRUE HMDB0000156 C00149
methionine TF3 150.0583 7.19 TRUE HMDB0000696 C00073
Expand Down Expand Up @@ -151,7 +151,7 @@ pyruvate 6679 87.0071419456496 3.65 TRUE HMDB0000243 C00022
quinolinate 13046 166.013481905477 7.63 TRUE HMDB0000232 C03722
SDMA TF11 203.1503 9.8 TRUE HMDB0003334 NA
sebacate 12113 201.112474279893 6.87 TRUE HMDB0000792 C08277
serine 7746 106.0503 7.88 TRUE HMDB0000187 C00716
serine 7746 106.0503 7.88 TRUE HMDB0000187 C00065
serotonin 6114 177.1019 6.55 TRUE HMDB0000259 C00780
sorbitol 2687 181.070645156572 1.93 TRUE HMDB0000247 C00794
spermidine TF15 146.1652 10.55 TRUE HMDB0001257 C00315
Expand Down
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445 changes: 445 additions & 0 deletions data/processed_data/MARS_IBS_2020/genera.counts.tsv
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445 changes: 445 additions & 0 deletions data/processed_data/MARS_IBS_2020/species.counts.tsv
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58 changes: 29 additions & 29 deletions data/processed_data/POYET_BIO_ML_2019/mtb.map.tsv
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Expand Up @@ -4,13 +4,13 @@ HILIC_POS_1-methylguanosine/2-O-methylguanosine 1-methylguanosine/2-O-methylguan
HILIC_POS_1-methylhistamine 1-methylhistamine TRUE HMDB0000898 C05127
HILIC_POS_1-methylnicotinamide 1-methylnicotinamide TRUE HMDB0000699 C02918
HILIC_POS_1_2_4-trimethylbenzene 1,2,4-trimethylbenzene TRUE HMDB0013733 C14533
REV_NEG_10-heptadecenoate 10-heptadecenoate TRUE NA NA
REV_NEG_10-nonadecenoate 10-nonadecenoate TRUE NA NA
REV_NEG_10-heptadecenoate 10-heptadecenoate TRUE HMDB0060038 NA
REV_NEG_10-nonadecenoate 10-nonadecenoate TRUE HMDB0013622 C00174
REV_NEG_12_13-diHOME 12,13-diHOME TRUE HMDB0004705 C14829
REV_NEG_13-docosenoate 13-docosenoate TRUE HMDB0002068 C08316
REV_NEG_13-HODE 13-HODE TRUE HMDB0061708 C14762
REV_NEG_13-HODE 13-HODE TRUE HMDB0004667 C14762
REV_NEG_16:0 PC(O) 16:0 PC(O) TRUE NA NA
REV_NEG_17-Methylstearate 17-Methylstearate TRUE HMDB0061710 NA
REV_NEG_17-Methylstearate 17-Methylstearate TRUE HMDB0037397 NA
HILIC_NEG_2-aminoadipate 2-aminoadipate TRUE HMDB0000510 C00956
HILIC_POS_2-deoxyadenosine 2-deoxyadenosine TRUE HMDB0000101 C00559
HILIC_POS_2-deoxycytidine 2-deoxycytidine TRUE HMDB0000014 C00881
Expand All @@ -22,7 +22,7 @@ REV_NEG_2-hydroxyoctanoate 2-hydroxyoctanoate TRUE HMDB0000711 NA
HILIC_POS_2^-O-methyladenosine/3^-O-methyladenosine 2^-O-methyladenosine/3^-O-methyladenosine FALSE NA NA
HILIC_NEG_3-4-dihydroxybenzylamine 3-4-dihydroxybenzylamine TRUE HMDB0012153 NA
HILIC_NEG_3-4-dihydroxyphenylglycol 3-4-dihydroxyphenylglycol TRUE HMDB0000318 C05576
HILIC_POS_3-dehydroxycarnitine 3-dehydroxycarnitine TRUE HMDB0006831 C05543
HILIC_POS_3-dehydroxycarnitine 3-dehydroxycarnitine TRUE HMDB0001161 C01181
HILIC_POS_3-hydroxyanthranilic acid 3-hydroxyanthranilic acid TRUE HMDB0001476 C00632
REV_NEG_3-hydroxydecanoate 3-hydroxydecanoate TRUE HMDB0002203 NA
HILIC_NEG_3-hydroxykynurenate 3-hydroxykynurenate TRUE HMDB0000732 C02794
Expand Down Expand Up @@ -52,8 +52,8 @@ HILIC_NEG_adipate adipate TRUE HMDB0000448 C06104
HILIC_POS_ADMA ADMA TRUE HMDB0001539 C03626
REV_NEG_adrenate adrenate TRUE HMDB0002226 C16527
HILIC_POS_adrenochrome adrenochrome TRUE HMDB0012884 NA
HILIC_NEG_alanine alanine FALSE HMDB0000161 C00041
HILIC_POS_alanine alanine FALSE HMDB0000161 C00041
HILIC_NEG_alanine alanine FALSE HMDB0000161 C01401
HILIC_POS_alanine alanine FALSE HMDB0000161 C01401
HILIC_POS_alanyalanine alanyalanine TRUE HMDB0028680 NA
REV_NEG_alpha-CEHC alpha-CEHC TRUE HMDB0001518 NA
HILIC_NEG_alpha-glycerophosphate alpha-glycerophosphate TRUE HMDB0000126 C00093
Expand All @@ -65,7 +65,7 @@ REV_NEG_alpha-muricholate alpha-muricholate TRUE HMDB0000506 C17647
HILIC_POS_anserine anserine TRUE HMDB0000194 C01262
HILIC_POS_anthranilic acid anthranilic acid TRUE HMDB0001123 C00108
REV_NEG_arachidate arachidate TRUE HMDB0002212 C06425
REV_NEG_arachidonate arachidonate TRUE HMDB0060102 C00219
REV_NEG_arachidonate arachidonate TRUE HMDB0001043 C00219
HILIC_NEG_arginine arginine FALSE HMDB0000517 C00062
HILIC_POS_arginine arginine FALSE HMDB0000517 C00062
HILIC_NEG_ascorbate ascorbate TRUE HMDB0000044 C00072
Expand All @@ -75,16 +75,16 @@ HILIC_NEG_aspartate aspartate FALSE HMDB0000191 C00049
HILIC_POS_atenolol atenolol TRUE HMDB0001924 C13235
HILIC_NEG_azelaic acid azelaic acid FALSE HMDB0000784 C08261
REV_NEG_azelate azelate FALSE HMDB0000784 C08261
HILIC_NEG_benzoate benzoate TRUE HMDB0013677 C00180
HILIC_NEG_benzoate benzoate TRUE HMDB0304270 C00180
HILIC_POS_beta-alanine beta-alanine TRUE HMDB0000056 C00099
HILIC_POS_beta-guanidinopropionic acid beta-guanidinopropionic acid TRUE HMDB0013222 C03065
HILIC_POS_betaine betaine TRUE HMDB0000043 C00719
HILIC_POS_bilirubin bilirubin TRUE HMDB0000054 C00486
HILIC_NEG_butyrate butyrate TRUE HMDB0000039 C00246
HILIC_POS_C10:2 carnitine C10:2 carnitine TRUE NA NA
HILIC_POS_C14 carnitine C14 carnitine TRUE NA NA
HILIC_POS_C14 carnitine C14 carnitine TRUE HMDB0005066 NA
REV_POS_C14:1 MAG +NH4 C14:1 MAG +NH4 TRUE NA NA
HILIC_POS_C16 carnitine C16 carnitine TRUE NA NA
HILIC_POS_C16 carnitine C16 carnitine TRUE HMDB0000222 C02990
REV_POS_C16:0 CE C16:0 CE TRUE NA NA
REV_POS_C16:0 CE +NH4 C16:0 CE +NH4 TRUE NA NA
REV_POS_C16:0 Ceramide (d18:1) C16:0 Ceramide (d18:1) TRUE NA NA
Expand All @@ -108,13 +108,13 @@ REV_POS_C18:1 CE C18:1 CE TRUE NA NA
REV_POS_C18:1 CE +NH4 C18:1 CE +NH4 TRUE NA NA
REV_POS_C18:1 LPC C18:1 LPC TRUE NA NA
REV_POS_C18:1 LPE C18:1 LPE TRUE NA NA
HILIC_POS_C18:2 carnitine C18:2 carnitine TRUE NA NA
HILIC_POS_C18:2 carnitine C18:2 carnitine TRUE HMDB0006469 NA
REV_POS_C18:2 CE C18:2 CE TRUE NA NA
REV_POS_C18:2 CE +NH4 C18:2 CE +NH4 TRUE NA NA
REV_POS_C18:2 LPC C18:2 LPC TRUE NA NA
REV_POS_C18:3 CE C18:3 CE TRUE NA NA
REV_POS_C18:3 CE +NH4 C18:3 CE +NH4 TRUE NA NA
HILIC_POS_C2 carnitine C2 carnitine TRUE NA NA
HILIC_POS_C2 carnitine C2 carnitine TRUE HMDB0000201 C02571
HILIC_POS_C20 carnitine C20 carnitine TRUE NA NA
REV_POS_C20:0 LPE C20:0 LPE TRUE NA NA
REV_POS_C20:3 CE C20:3 CE TRUE NA NA
Expand Down Expand Up @@ -252,7 +252,7 @@ REV_POS_C56:5 TAG C56:5 TAG TRUE NA NA
REV_POS_C56:5 TAG +NH4 C56:5 TAG +NH4 TRUE NA NA
REV_POS_C56:6 TAG C56:6 TAG TRUE NA NA
REV_POS_C56:6 TAG +NH4 C56:6 TAG +NH4 TRUE NA NA
HILIC_POS_C6 carnitine C6 carnitine TRUE NA NA
HILIC_POS_C6 carnitine C6 carnitine TRUE HMDB0000756 NA
HILIC_POS_C9 carnitine C9 carnitine TRUE NA NA
HILIC_POS_cadaverine cadaverine TRUE HMDB0002322 C01672
REV_NEG_caprate caprate TRUE HMDB0000511 C01571
Expand All @@ -263,7 +263,7 @@ REV_NEG_carboxyibuprofen carboxyibuprofen TRUE HMDB0060564 NA
HILIC_POS_carnitine carnitine TRUE HMDB0000062 C00318
HILIC_POS_carnosine carnosine TRUE HMDB0000033 C00386
REV_NEG_carnosol carnosol TRUE HMDB0002121 C09069
HILIC_POS_cellobiose cellobiose TRUE HMDB0000055 C06422
HILIC_POS_cellobiose cellobiose TRUE HMDB0000055 C00185
HILIC_POS_cerulenin cerulenin TRUE HMDB0015168 C12058
REV_NEG_chenodeoxycholate chenodeoxycholate TRUE HMDB0000518 C02528
HILIC_NEG_chenodeoxycholate/deoxycholate chenodeoxycholate/deoxycholate FALSE NA NA
Expand Down Expand Up @@ -293,10 +293,10 @@ REV_NEG_docosahexaenoate docosahexaenoate TRUE HMDB0002183 C06429
REV_NEG_docosapentaenoate docosapentaenoate TRUE HMDB0001976 NA
REV_NEG_dodecanedioate dodecanedioate TRUE HMDB0000623 C02678
REV_NEG_dodecanoate dodecanoate TRUE HMDB0000638 C02679
HILIC_POS_DOPA DOPA TRUE HMDB0000609 C00355
HILIC_POS_ectoine ectoine TRUE METPA0797 C06231
HILIC_POS_DOPA DOPA TRUE HMDB0000181 C00355
HILIC_POS_ectoine ectoine TRUE HMDB0240650 C06231
REV_NEG_eicosadienoate eicosadienoate TRUE HMDB0005060 C16525
REV_NEG_eicosanedioate eicosanedioate TRUE NA NA
REV_NEG_eicosanedioate eicosanedioate TRUE HMDB0242141 NA
REV_NEG_eicosapentaenoate eicosapentaenoate FALSE HMDB0001999 C06428
HILIC_NEG_eicosapentaenoate eicosapentaenoate FALSE HMDB0001999 C06428
REV_NEG_eicosatrienoate eicosatrienoate TRUE HMDB0002925 C03242
Expand All @@ -309,8 +309,8 @@ HILIC_POS_GABA/alpha-aminoisobutyric acid GABA/alpha-aminoisobutyric acid FALSE
REV_NEG_gamma-linolenate gamma-linolenate TRUE HMDB0003073 C06426
HILIC_NEG_gentisate gentisate TRUE HMDB0000152 C00628
HILIC_NEG_glucuronate glucuronate TRUE HMDB0000127 C00191
HILIC_NEG_glutamate glutamate FALSE HMDB0000148 C00025
HILIC_POS_glutamate glutamate FALSE HMDB0000148 C00025
HILIC_NEG_glutamate glutamate FALSE HMDB0000148 C00302
HILIC_POS_glutamate glutamate FALSE HMDB0000148 C00302
HILIC_POS_glutamine glutamine FALSE HMDB0000641 C00064
HILIC_NEG_glutamine glutamine FALSE HMDB0000641 C00064
HILIC_NEG_glycerate glycerate TRUE HMDB0000139 C00258
Expand All @@ -328,24 +328,24 @@ HILIC_NEG_guanine guanine FALSE HMDB0000132 C00242
HILIC_POS_guanosine guanosine FALSE HMDB0000133 C00387
HILIC_NEG_guanosine guanosine FALSE HMDB0000133 C00387
REV_NEG_heptadecanoate heptadecanoate TRUE HMDB0002259 NA
REV_NEG_heptanoate heptanoate TRUE HMDB0000666 C17714
REV_NEG_hexadecanedioate hexadecanedioate TRUE HMDB0000672 C19615
REV_NEG_heptanoate heptanoate TRUE HMDB0304376 C17714
REV_NEG_hexadecanedioate hexadecanedioate TRUE HMDB0304377 C19615
HILIC_NEG_hexose monophosphate hexose monophosphate TRUE NA NA
HILIC_POS_histamine histamine TRUE HMDB0000870 C00388
HILIC_NEG_histidine histidine FALSE HMDB0000177 C00135
HILIC_POS_histidine histidine FALSE HMDB0000177 C00135
HILIC_POS_histidinol histidinol TRUE HMDB0003431 C00860
HILIC_POS_histidinol histidinol TRUE C00860 NA
HILIC_POS_homoserine homoserine TRUE HMDB0000719 C00263
REV_NEG_hydrocinnamate hydrocinnamate FALSE HMDB0000764 C05629
HILIC_NEG_hydrocinnamate hydrocinnamate FALSE HMDB0000764 C05629
REV_NEG_hydroxymyristate hydroxymyristate TRUE NA NA
HILIC_POS_hydroxyproline hydroxyproline TRUE HMDB0240251 C01015
HILIC_POS_hydroxyproline hydroxyproline TRUE HMDB0000725 C01157
REV_NEG_hyodeoxycholate/ursodeoxycholate hyodeoxycholate/ursodeoxycholate FALSE NA NA
HILIC_NEG_hypoxanthine hypoxanthine FALSE HMDB0000157 C00262
HILIC_POS_hypoxanthine hypoxanthine FALSE HMDB0000157 C00262
HILIC_POS_imidazoleacetic acid imidazoleacetic acid TRUE HMDB0002024 C02835
HILIC_NEG_indole-3-propionate indole-3-propionate TRUE HMDB0002302 NA
REV_NEG_indoleacetate indoleacetate TRUE HMDB0000197 C00954
REV_NEG_indoleacetate indoleacetate FALSE HMDB0000197 C00954
HILIC_NEG_indolelactate indolelactate TRUE HMDB0000671 C02043
HILIC_NEG_inositol inositol TRUE HMDB0000211 C00137
HILIC_POS_isoleucine isoleucine TRUE HMDB0000172 C00407
Expand Down Expand Up @@ -388,8 +388,8 @@ HILIC_POS_N-carbamoyl-beta-alanine N-carbamoyl-beta-alanine TRUE HMDB0000026 C02
REV_POS_N-Oleoylethanolamine N-Oleoylethanolamine TRUE HMDB0002088 NA
HILIC_POS_N1-acetylspermidine N1-acetylspermidine TRUE HMDB0001276 C00612
HILIC_POS_N1-acetylspermine N1-acetylspermine TRUE HMDB0001186 C02567
HILIC_NEG_N6-acetyllysine N6-acetyllysine FALSE HMDB0000206 C02727
HILIC_POS_N6-acetyllysine N6-acetyllysine FALSE HMDB0000206 C02727
HILIC_NEG_N6-acetyllysine N6-acetyllysine TRUE HMDB0000206 C02727
HILIC_POS_N6-acetyllysine N6-acetyllysine FALSE HMDB0000197 C00954
HILIC_POS_niacinamide niacinamide TRUE HMDB0001406 C00153
HILIC_POS_nicotinate nicotinate FALSE HMDB0001488 C00253
HILIC_NEG_nicotinate nicotinate FALSE HMDB0001488 C00253
Expand All @@ -415,7 +415,7 @@ HILIC_NEG_phenylacetate phenylacetate TRUE HMDB0000209 C07086
HILIC_POS_phenylalanine phenylalanine FALSE HMDB0000159 C00079
HILIC_NEG_phenylalanine phenylalanine FALSE HMDB0000159 C00079
HILIC_POS_phenylalanine-d8 phenylalanine-d8 TRUE NA NA
REV_NEG_phenyllactate phenyllactate TRUE HMDB0000779 C01479
REV_NEG_phenyllactate phenyllactate TRUE HMDB0000779 C05607
HILIC_POS_phosphocholine phosphocholine TRUE HMDB0001565 C00588
REV_NEG_phytanate phytanate TRUE HMDB0000801 C01607
HILIC_POS_phytosphingosine phytosphingosine TRUE HMDB0004610 C12144
Expand Down Expand Up @@ -443,7 +443,7 @@ HILIC_POS_sarcosine sarcosine TRUE HMDB0000271 C00213
HILIC_POS_SDMA SDMA TRUE HMDB0003334 NA
HILIC_NEG_sebacate sebacate FALSE HMDB0000792 C08277
REV_NEG_sebacate sebacate FALSE HMDB0000792 C08277
HILIC_POS_serine serine TRUE HMDB0000187 C00716
HILIC_POS_serine serine TRUE HMDB0000187 C00065
HILIC_POS_serotonin serotonin TRUE HMDB0000259 C00780
HILIC_NEG_sorbitol sorbitol TRUE HMDB0000247 C00794
HILIC_POS_spermidine spermidine TRUE HMDB0001257 C00315
Expand Down
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