Data for (Study ST003434)

(Analysis AN005641)

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

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MetaboliteF1F2F3F4F5
2-Hydroxybutyric 17 3.5125 1.2836 1.5962 0.2931 NA
2-Hydroxybutyric 57 2.7268 1.6452 1.7750 0.1542 0.1150
3-Hydroxybutyric 17 4.7664 2.2860 0.4348 0.2752 0.0160
3-Hydroxybutyric 59 5.0933 2.6981 0.4692 0.2107 NA
3-Hydroxyisobutyric 73 2.8698 1.7169 1.2875 0.4586 0.0022
3PGA 97 2.1427 3.8452 0.8299 0.5463 0.1022
Acetic PAR 2.7053 0.6236 0.8132 0.8574 1.5103
Acetic PAR ATTN 2.7387 0.6551 0.8627 0.8277 1.2335
Acetyl-CoA 408 NA 0.5787 1.3124 0.1718 NA
Acetyl-CoA 461 0.8813 0.2319 1.5062 0.0647 NA
Acetyl-CoA 79 0.8169 1.3640 1.8722 0.5458 0.1205
alpha-Cyclodextrin 101 NA 1.0000 NA NA NA
alpha-Cyclodextrin 161 1.7396 1.6384 0.5870 0.5256 NA
AMP 193 0.9325 1.0329 1.2339 0.8523 NA
AMP 79 1.0832 1.2162 1.3097 0.9787 0.0025
Ascorbic 157 0.5925 1.1156 0.5013 0.9649 5.2756
Ascorbic 79 0.6505 0.2169 0.3935 1.4016 1.6480
Asparagine 113 0.8597 0.4036 1.0353 0.9602 5.6477
Aspartic 115 0.3707 0.4686 0.4763 0.7923 14.3988
Aspartic 88 0.3615 0.4944 0.4574 0.7963 14.9577
Benzoic 77 0.6513 0.6278 0.7750 1.1057 2.8538
Butyric PAR 0.9771 0.9394 0.6452 0.3574 7.5588
Butyryl-CoA 408 NA 0.5617 1.3590 0.6160 NA
Butyryl-CoA 79 0.6722 0.6920 0.7944 1.5038 0.0963
C75 209 1.2878 1.0692 0.9180 1.0688 0.5314
CDP 1.3807 1.8079 0.3770 1.3308 0.5081
Cellobiose 161 0.7135 0.4108 1.7191 0.7818 1.6859
Cholic 343 3.2623 1.8925 1.7347 0.0258 0.0036
cis-Aconitic 111 2.8569 1.1354 1.0561 0.7229 0.0021
cis-Aconitic 85 2.8184 1.1227 1.0308 0.7294 0.0733
Citraconic 85 0.5850 0.5527 0.5257 1.4327 1.4229
Citric 87 2.5253 0.8628 1.2383 0.6878 0.0439
Citric/Isocitric 111 2.3872 0.9567 1.2545 0.7301 0.0221
Citric/Isocitric 173 1.8312 0.7783 1.2130 0.8953 0.0180
Citrulline 131 1.3388 0.7269 1.1162 1.1347 0.0050
Coenzyme A 408 0.2539 0.3350 1.9272 0.1778 NA
Coenzyme A 79 1.0133 1.2074 1.7389 0.5373 0.3855
Cystine 120 1.7034 0.5716 0.5516 0.7614 9.6671
Cystine 74 1.6907 0.5577 0.5591 0.7831 9.3593
[D3] Acetic PAR 1.5922 0.9201 1.0317 0.9834 0.8797
Deoxyuridine 111 1.7269 1.9136 1.3371 0.6747 0.0082
dGDP 79 0.4823 0.4307 0.6474 1.7128 0.0199
DHAP 79 1.9008 0.8118 1.5549 0.6805 0.0043
DHAP 97 1.8181 0.6134 1.5955 0.4647 NA
EDTA 273 1.4721 1.3122 1.3312 0.8514 0.0001
Ethanolamine phosphate 63 1.1972 1.6488 1.2030 0.8887 0.0196
Ethanolamine phosphate 79 1.3221 1.8880 1.0685 0.9490 0.0453
Ethyl sulfate 80 0.7923 0.9193 0.7137 1.2049 NA
Ethyl sulfate 97 0.7091 0.4836 0.8665 1.4000 0.1772
FAD 517 1.6037 1.4542 1.0444 0.7194 NA
FAD 79 1.8782 1.7360 1.2291 0.7387 0.0157
FAICAR 79 0.6108 0.3142 0.1678 1.9117 0.2600
Fasnall 178 0.0281 0.0048 0.0433 2.2829 0.0089
fMet 128 0.2260 0.1917 0.2852 2.0706 0.0126
Folic 311 0.0085 0.0114 0.0083 0.0074 28.2597
Formic PAR 0.9188 1.0647 1.1534 0.8871 2.4777
Formyl-CoA 408 0.8742 1.6395 1.0482 0.8659 0.8149
Formyl-CoA 79 0.8610 0.7579 1.6501 0.7806 0.2365
Fructose-1,6-bisphosphate 177 NA NA NA NA NA
Fructose-1,6-bisphosphate 97 0.7052 0.4039 0.8527 1.2381 1.5921
Fructose 89 1.0903 0.8052 1.1769 1.0763 1.0064
Fumaric 71 1.0203 0.8317 1.3773 1.0109 0.0209
Glucono-1,5-lactone 129 1.1240 0.3491 1.7839 0.5315 3.6008
Glucose 1-phosphate 151 1.6550 1.0639 1.6758 0.5314 0.3583
Glucose 1-phosphate 79 1.1238 0.5858 1.4603 0.9067 NA
Glucose 59 0.5999 0.5685 1.4144 0.7663 5.3114
Glucose 6-phosphate 139 3.8063 1.0426 0.4323 0.5642 NA
Glucose 6-phosphate 97 2.7059 1.3401 0.5764 1.0666 0.0264
Glucose 71 0.5909 0.5542 1.3907 0.7540 5.7755
Glucose 89 0.6250 0.5880 1.4273 0.7636 5.0918
Glutamic 102 0.9414 1.0845 0.8220 0.6457 10.1029
Glutamic 128 0.9724 1.1418 0.8937 0.5715 10.2330
Glycerol 1-phosphate 79 1.1841 1.6122 1.4884 0.7455 0.0574
Glycerol 2-phosphate 79 NA NA NA 0.3896 0.4790
Glycerol 3-phosphate 79 0.8213 0.7882 1.5586 0.9520 0.0034
Glyoxylic 45 0.5756 0.5093 0.6554 1.3258 0.1341
GMP 79 0.8638 1.1823 0.8120 1.3637 0.0760
GSSG 179 0.7826 1.0816 1.1546 1.1775 0.0091
GSSG 306 0.8456 1.1910 1.1735 1.1287 0.0155
HEPES 107 0.0046 0.0045 0.0050 0.0048 10.9526
HEPES 80 0.0004 0.0010 0.0004 0.0004 19.9913
Hippuric 134 1.9773 0.9128 1.8989 0.3971 0.0628
HMG-CoA 408 0.7490 3.0162 0.8789 0.6527 0.9113
HMG-CoA 426 0.2735 1.3632 NA NA NA
Homocysteic 80 0.6177 0.4828 0.6852 1.4645 1.1814
IMP 79 1.0263 1.2175 1.3053 0.9925 0.0086
Indole-3-carboxylic 116 1.3672 1.4329 1.5200 0.6562 0.6925
Isocitric 117 2.4564 0.8716 1.0213 0.8185 0.0149
Isocitric 73 2.4269 0.8620 1.0817 0.8572 0.0110
Itaconic 41 0.8956 0.7082 0.8214 1.1823 0.8997
Itaconic 85 1.2380 0.5045 1.1170 1.0376 0.5335
Ketoglutaric 101 0.8682 0.5665 0.8703 1.4047 0.2482
Ketoglutaric 57 1.0614 0.6096 1.2950 1.0048 0.4802
Lactic 71 1.3325 1.0065 1.5315 0.8041 0.0015
Lactic 87 1.4129 1.1578 1.5924 0.7151 0.0023
Lauroyl-CoA 408 0.5034 0.6773 0.7519 1.3505 0.3448
Lipoic 137 0.5591 NA 1.6768 NA 1.3230
Lipoic 171 0.3273 0.1979 0.2083 0.0983 26.5119
Maleic 27 NA NA NA NA NA
Maleic 71 0.7711 0.6430 0.6175 1.0284 2.6579
Malic 115 0.9689 0.7844 1.3548 1.0522 0.0244
Malic 71 0.9566 0.7851 1.3618 1.0514 0.0148
Malonic 59 2.5605 1.0870 0.9989 0.7236 0.5215
Malonyl-CoA 408 0.6277 1.3046 1.1814 1.0636 0.2358
Malonyl-CoA 426 NA NA 0.4338 1.1887 NA
Mannitol 89 0.6729 0.3339 1.0688 1.2941 1.4782
Mannose 59 0.6600 0.7531 1.7212 0.9324 NA
Mannose 95 0.6623 0.7909 1.6493 0.9116 NA
Methylcrotonyl-CoA 408 0.7380 0.9086 0.7077 1.2842 NA
Methylcrotonyl-CoA 79 0.7861 0.5991 1.1496 1.1951 0.1134
Methylmalonic 55 2.4247 0.9880 1.7747 0.2632 0.1099
Methylmalonic 73 2.3522 0.6959 1.7774 0.2823 0.1528
Mevalonate pyrophosphate 79 0.6087 0.4699 0.4906 1.7408 0.1730
myo-Inositol 161 1.1364 1.2525 0.7404 0.7690 7.8318
Myristic PAR 3.1757 2.1553 0.8912 0.5561 0.0880
Myristoyl-CoA 408 0.3838 0.5075 0.8419 1.2899 0.3803
N-Acetylcysteine 120 NA NA 0.5107 1.4893 NA
N-Acetylcysteine 84 0.6825 0.5410 1.5614 0.9481 0.3019
N-Acetylglycine 74 3.5630 2.9867 1.1666 0.1357 0.0230
N-Acetyl-L-aspartic 156 0.7786 0.8305 1.2282 0.9308 NA
N-Acetyl-L-aspartic 88 1.1748 1.2435 1.3993 0.8904 0.0096
N-Acetylleucine 130 2.2470 1.9305 1.4734 0.4469 0.0417
NAD+ 273 0.4739 0.7187 1.3861 NA NA
NAD+ 540 1.4980 2.3212 1.9873 0.1101 0.0051
NADH 335 NA NA 1.0000 NA NA
NADH 408 1.5531 1.0539 2.0086 0.2585 0.0903
NADP+ 134 0.6264 1.9266 0.8205 NA NA
NADP+ 408 1.2253 2.6738 0.4135 0.1524 NA
NADP+ 620 2.1574 4.9008 0.9487 0.2538 0.1877
NADPH 328 1.9212 0.5982 0.7119 NA NA
NADPH 408 1.1574 1.6386 1.5647 0.5405 0.8854
N-Formylleucine 114 1.7565 0.8568 1.3817 0.7656 0.4142
O-Acetylserine 116 1.5707 1.3667 1.2575 0.8650 0.0175
Octanoic PAR 1.0032 0.8265 0.5754 1.3876 0.6064
Oleoyl-CoA (18:1) 79 0.7403 1.0101 0.8934 1.2437 0.9674
O-Phospho-L-serine 79 NA 1.0000 NA NA NA
O-Phospho-L-serine 97 2.1818 2.1813 1.2065 0.4852 0.3183
Orotic 111 1.2265 0.8988 0.7448 1.3800 0.0253
Orotic 67 1.0762 0.7915 0.9081 1.2639 0.4023
Oxalic 61 0.7542 0.7431 0.8197 1.1365 1.0644
Oxaloacetic 87 5.9035 0.6105 0.3127 0.5117 0.1384
Palmitic PAR 2.5965 2.1810 0.9580 0.6579 0.0552
Palmitoleic PAR 3.1058 2.6297 1.0846 0.3696 0.0139
Palmitoleyl-CoA (16:1) 79 0.3760 0.6202 0.6411 1.3936 NA
Palmitoyl-CoA (16:0) 79 0.7838 0.6774 0.6783 1.3388 0.3065
Pemetrexed 297 0.5907 0.5844 0.8187 1.1014 0.7900
Pemetrexed 321 NA NA NA NA NA
Penicillin G 289 0.6956 0.6131 0.4988 1.3512 1.7966
PEP 79 1.6028 3.3177 1.6695 0.2251 0.0226
Phenol Red 195 NA NA NA NA 1.0000
Phenol Red 93 0.0016 0.0015 0.0023 0.0017 17.9673
Phenylalanine 147 1.5329 1.2746 1.2308 0.5566 4.9625
Phenylalanine 72 1.3819 1.0958 1.1277 0.5268 4.8347
Phenyllactic 147 1.4035 0.8589 1.6324 0.6496 0.1684
Phosphocreatine 79 2.1473 2.2086 0.4681 1.1066 0.0062
Propionic PAR 0.6998 0.5512 0.5274 1.4122 0.1097
Propionyl-CoA 408 0.9260 0.8924 1.6174 0.6320 1.2371
Pyroglutamic 82 0.9647 2.9378 0.3987 0.2756 14.5917
Pyruvic 32 0.5377 0.6428 0.4253 1.1609 9.1216
Riboflavin 243 0.6930 0.5737 0.6692 0.9854 5.1791
S-2-hydroxyisocaproic 113 1.9513 1.2814 0.6282 0.5606 0.2012
S-2-hydroxyisocaproic 85 2.4380 1.2989 1.0804 0.7564 0.1591
Saccharin 42 0.9224 0.9762 1.0456 0.9568 1.0198
Sorbitol 71 0.6208 0.3221 1.0530 1.3079 1.6425
Stearic PAR 2.1099 1.5471 1.3412 0.6208 0.1409
Succinic 73 1.4810 0.1938 1.8391 0.7023 0.0132
Succinic 99 1.4917 0.1891 1.8285 0.7063 0.0164
Succinyl-CoA 408 1.1404 2.9854 0.7928 0.8401 0.3984
Sucrose 89 0.3635 0.5098 1.5028 1.0725 0.0782
Sunset Yellow 2- 171 1.4516 1.5106 1.0379 0.8439 0.7647
Tartrazine 2- 211 2.0335 3.6402 0.4023 0.1997 7.1824
Taurine 80 1.4603 1.3657 1.2456 0.9027 0.0019
Trehalose 59 0.5278 0.4846 1.4083 0.9006 2.2699
UDP 111 0.8560 1.0811 0.6299 1.4979 0.0707
UDP 79 0.6974 0.9064 0.4793 1.6686 0.1072
UDP-glucose 273 1.2540 1.8933 1.1251 0.7170 NA
UDP-glucose 323 1.3608 2.1659 1.2386 0.7888 0.0034
UDP-N-acetyl-D-glucosamine 79 1.5564 1.2672 1.5071 0.7097 0.0154
Uric 124 1.5936 1.1778 1.5137 0.7212 0.0001
Uric 96 1.3995 1.0616 1.3720 0.6367 NA
Uridine 111 1.4573 0.6302 1.7460 0.6954 0.0003
UTP 79 0.3875 0.5558 0.7266 1.6237 0.0865
Valeric PAR 1.4029 1.1341 0.7282 1.0835 1.5060
Xanthine 108 1.9045 0.3713 1.5224 0.7815 0.0005
Xanthosine 151 1.8266 0.2959 2.5283 0.0651 0.0007
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Factors:

F1Sample source:BT-474 Xenograft in an NSG mouse | Sample Type:Tumor | Drug Treatment:10 mg/kg Fasnall, 2 g/kg [D3] acetate bolus
F2Sample source:BT-474 Xenograft in an NSG mouse | Sample Type:Tumor | Drug Treatment:Vehicle (DMSO), 2 g/kg [D3] acetate bolus
F3Sample source:Murine plasma - Pharmacokinetics experiment | Sample Type:Plasma | Drug Treatment:10 mg/kg Fasnall
F4Sample source:Murine plasma spiked with Fasnall | Sample Type:Plasma-based standard | Drug Treatment:NA
F5Sample source:NA | Sample Type:QC | Drug Treatment:NA
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