Data for Metabolomic Markers of Methotrexate Response, In Vitro (Study ST001211)

(Analysis AN002017)

Values for each metabolite have been scaled by dividing by the mean across all factors

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MetaboliteF1F2
15N2-L-Arginine iSTD 0.9247 1.0753
1-Deoxy-1-(methylamino)-D-galactitol 0.9686 1.0314
1-Methyladenosine B 1.1275 0.8725
1-Methylguanosine 1.2438 0.7562
1-Methylnicotinamide 0.7962 1.2038
2,6-Diaminopimelic acid 0.8458 1.1542
2-Aminopyridine 0.8287 1.1903
2^-Deoxycytidine 1.9918 0.0082
2^-Deoxyguanosine 5^-monophosphate 1.2626 0.7374
2-Deoxyuridine 0.0255 1.9745
2-Methylbutyryl-L-carnitine 1.2669 0.7331
2^-O-Methylcytidine 1.1625 0.8375
2-Pyridone 0.9722 1.0278
3,5-Dihydroxyphenylglycine 0.9686 1.0314
3-Aminotyrosine 0.9643 1.0357
(3-Carboxypropyl)trimethylammonium 1.0368 0.9632
3-Chlorotyrosine 0.9749 1.0251
3-Hydroxybutyrylcarnitine 0.6157 1.3843
3-Hydroxyproline 1.6917 0.3083
3-Indolepropionic acid 0.9847 1.0153
3-Methylhistidine 0.9431 1.0569
3^-O-Methylinosine 0.9666 1.0334
4-Acetamidobutyric acid 1.0523 0.9477
4-Aminobenzoic acid 1.1943 0.8057
4-Guanidinobutyric acid 0.8395 1.1605
4-Hydroxy-3-methoxymandelic acid 1.0083 0.9917
4-Hydroxybenzylcyanide 0.9885 1.0115
4-Hydroxymandelonitrile 0.5079 1.4921
4-Imidazoleacrylic acid 1.2693 0.7307
4-Methyl-5-thiazoleethanol? 1.1929 0.8071
4-Picoline 1.1083 0.8917
4-Pyridoxate 0.9703 1.0297
4-Trimethylammoniobutanoic acid 1.0413 0.9587
5^-S-Methyl-5^-thioadenosine 1.1790 0.8210
6-Aminoindazole 1.0172 0.9828
6-Methoxynaphthaleneacetic acid 0.9780 1.0220
8-Oxo-2-deoxyadenosine 1.3892 0.6108
Acetaminophen 1.1013 0.8987
Acetylcarnitine 0.8680 1.1320
Acetyl-L-carnitine 0.8766 1.1234
Adenine 0.9092 1.0908
Adenosine 1.3188 0.6812
Adenosine 5^-monophosphate 1.5241 0.4759
Ala-Ile 0.8784 1.1216
Arginine 0.8272 1.1728
Aspartic acid 0.4038 1.5962
Asp-Glu 0.8344 1.0828
Benzyldimethylstearylammonium cation 1.1351 0.8649
beta-Alanine 0.9888 1.0112
beta-Homophenylalanine 1.2307 0.7693
Betaine 0.9483 1.0517
beta-Nicotinamide adenine dinucleotide 1.5899 0.4101
Betonicine 1.0126 0.9874
Biliverdin 1.3008 0.6992
Biotin 0.7761 1.2239
Bisphenol A bis(2,3-dihydroxypropyl) ether 1.0464 0.9536
Caffeine 1.0935 0.9065
Carbamic acid, N-(2,2-diphenylacetyl)-, ethyl ester 0.9841 1.0159
Carnitine 0.9657 1.0343
Cetirizine 0.9423 1.0577
Choline 1.0439 0.9561
cis-lambda-Viniferin 1.2973 0.7027
Citrulline 1.0239 0.9761
CocamidoprpylBetaine 1.0444 0.9556
Corticosterone 1.0022 0.9978
Cortodoxone 1.0421 0.9579
Creatine 0.9882 1.0118
Creatinine 0.9449 1.0551
CUDA iSTD 0.9741 1.0259
Cysteine-glutathione disulfide 0.9135 1.0865
Cystine 0.6876 1.3124
Cytidine 0.9805 1.0195
Cytidine 5^-diphosphate ethanolamine 1.1566 0.8434
Cytidine 5^-diphosphocholine 1.1478 0.8522
D3-1-Methylnicotinamide iSTD 1.0190 0.9810
D3-AC(2:0) iSTD 1.0014 0.9986
D3-Creatine iSTD 0.9674 1.0326
D3-Creatinine iSTD 0.9903 1.0097
D3-DL-Alanine iSTD 0.9966 1.0034
D3-DL-Aspartic acid iSTD 1.0127 0.9873
D3-DL-Glutamic acid iSTD 1.0557 0.9443
D3-Histamine, N-methyl- iSTD 0.9787 1.0213
D3-L-Carnitine iSTD 1.0306 0.9694
D5-L-Glutamine iSTD 0.8112 1.1888
D9-Betaine iSTD 1.0024 0.9976
D9-Butyrobetaine iSTD 1.0287 0.9713
D9-Caffeine iSTD 0.9724 1.0276
D9-Choline iSTD 0.8734 1.1266
D9-Crotonobetaine iSTD 1.0310 0.9690
D9-TMAO iSTD 0.9685 1.0315
Deferiprone 0.9629 1.0371
Dehydrocholic acid 1.4573 0.5427
Desmethylranitidine 0.9789 1.0211
Didodecyl 3,3^-thiodipropionate 1.1849 0.8151
Dihydro-4,4-dimethyl-2,3-furandione 1.2787 0.7213
Dihydrocapsaicin 0.8645 1.1355
Dihydrocoumarin 1.0123 0.9877
Diphenylmethylphosphine oxide 0.9551 1.0449
Ecgonine 0.9460 1.0540
Ergothioneine 0.9987 1.0013
Erucamide 1.5557 0.4443
Ethylhexadecyldimethylammonium cation 1.9388 0.0612
Ethylhexanoate 1.0011 0.9989
Flavin-adenine-dinucleotide 1.0484 0.9516
Galacto-N-biose 0.7580 1.2420
Galactosamine 1.8234 0.1766
gamma-Glutamylglutamine 1.0222 0.9778
gamma-Glutamylleucine 0.9447 1.0553
gamma.-Glutamyl-L-glutamic acid 0.7928 1.2072
Glu-Gly-Arg 1.6979 0.3021
Glutamic acid 0.6196 1.3804
Glutamine 1.0067 0.9933
Glutathione (oxidized) 1.3074 0.6926
Glutathione (reduced) 1.0238 0.9762
Glycine 0.6775 1.3225
Glycocholic acid 0.7968 1.2032
Glycodeoxycholic acid 0.9123 1.0877
Gly-Leu 1.0264 0.9736
Gly-Tyr 0.9000 1.1000
Guanine 1.2821 0.7179
Guanosine 5^-monophosphate 1.3960 0.6040
Heptadecasphing-4-enine 0.8887 1.1113
Hexanoyl-L-carnitine 0.9291 1.0709
Hippuric acid 0.9313 1.0687
Histidine 0.8105 1.1895
Homoarginine 0.8490 1.1510
Homoserine 1.0512 0.9488
Hypoxanthine 1.9983 0.0017
Indomethacin 1.0547 0.9453
Inosine 1.3413 0.6587
Inosine-5^-monophosphate 1.7521 0.2479
Isobutylamine 0.9878 1.0122
Isoleucine 0.8723 1.1277
Isomaltose 1.1593 0.8407
Ketoisovaleric acid 0.0039 1.9961
Kynurenine 0.9826 1.0174
Lauroyl-L-carnitine 1.0487 0.9513
Linoleic acid 1.1013 0.8987
Linoleoylcarnitine 0.5120 1.4880
Lysine 0.8472 1.1528
Maltotriose 0.7235 1.2765
Methionine 0.6586 1.3414
Methioninesulfoxide A 0.9378 1.0622
N2,N2-Dimethylguanosine 1.1313 0.8687
N8-Acetylspermidine 0.9757 1.0243
N-Acetyl-5-hydroxytryptamine 1.1767 0.8233
N-Acetylhistidine 0.9852 1.0148
N-Acetyl-L-carnosine 0.6307 1.3693
N-Acetylsulfamethoxazole 1.0761 0.9239
N-.alpha.-Acetyl-L-arginine 0.6668 1.3332
N.alpha.-Methyl-L-lysine 0.9485 1.0515
N-.alpha.-(tert-Butoxycarbonyl)-L-histidine 0.8223 1.1777
Naproxen 1.0336 0.9664
Nelfinavir 1.1017 0.8983
N-epsilon-Acetyllysine 1.0406 0.9594
Nicotinic acid 0.9986 1.0014
N-Methylaniline 1.0253 0.9747
N-Methylglutamic acid 1.0883 0.9117
N-Methylhistidine 0.8768 1.1232
N-Methylisoleucine 0.9388 1.0612
N-Methyllysine 0.9528 1.0472
N-Methylphenylalanine 0.9387 1.0613
N-Methylproline 0.9284 1.0716
N,N-Dimethylarginine 0.7974 1.2026
Norleucine 0.8299 1.1701
N-trimethyllysine 0.9378 1.0622
Octadecanedioic acid 0.9970 1.0030
Ornithine 0.6136 1.3864
Pantothenic acid 0.6895 1.3105
Paraxanthine 0.9538 1.0462
Phenylacetylglutamine 0.9477 1.0523
Phenylacetylglycine 1.2105 0.7895
Phenylacetyl-L-glutamine 0.6685 1.3315
Phenylalanine 0.7174 1.2826
Phosphocholine 1.6704 0.3296
Pipecolic acid 0.8506 1.1494
Piperine 1.0110 0.9890
Proline 0.9750 1.0250
Propionylcarnitine 1.2234 0.7766
Pro-Pro 1.1133 0.8867
(+)-Pseudoephedrine 1.0025 0.9975
Pseudouridine 0.8484 1.1516
Pyridoxal 0.3975 1.6025
Pyridoxine 0.7891 1.2109
Pyroglutamic acid 0.6351 1.3649
Ranitidine 1.0410 0.9590
Ranitidine N-oxide 0.9281 1.0719
(R)-Butyrylcarnitine 1.3085 0.6915
Retinoic acid 1.1926 0.8074
S-Adenosyl-homocysteine 1.3876 0.6124
S-Adenosyl-methionine 1.0268 0.9732
Serine 0.2705 1.7295
Serotonin 0.6958 1.3042
Ser-Pro 0.9322 1.0678
Stachydrine 0.8238 1.1762
Sucrose 1.1003 0.8997
Sulfamethoxazole 1.0240 0.9760
Taurine 0.9799 1.0201
Theobromine 0.9538 1.0462
Threonine 0.9172 1.0828
Tocainide 1.0271 0.9729
trans-Nicotine-1^-oxide 1.1258 0.8742
Trehalose 0.5888 1.4112
Trimethoprim 0.9777 1.0223
Trimethylamine N-oxide 1.0262 0.9738
Tryptophan 0.7905 1.2095
Turanose 0.7728 1.2272
Tyrosine 0.8395 1.1605
UDP-galactose 1.2745 0.7255
Urea 0.9764 1.0236
Uridine-5-diphosphoacetylglucosamine 1.3099 0.6901
Uridine 5^-monophosphate 1.2400 0.7600
Urocanic acid 0.9389 1.0611
Val-Tyr-Val iSTD 0.8837 1.1163
Vanillic acid 0.9233 1.0767
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Factors:

F1Group:Control
F2Group:Methotrexate
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