Data for (Study ST003411)
(Analysis AN005603)Values for each metabolite have been scaled by dividing by the mean across all factors Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study| Metabolite | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Acetyl-CoA 303 | 2.5851 | 2.4941 | 2.1752 | 2.6783 | 2.5305 | 2.5405 | 2.3251 | 0.0004 | 0.0004 | 0.0004 | 0.0006 | 0.0004 | 0.0005 | 0.0006 | 0.0003 | 0.0003 |
| Acetyl-CoA 428 | 1.8508 | 1.7884 | 1.5872 | 1.9132 | 1.8181 | 1.8019 | 1.5695 | 0.0007 | 0.0011 | 0.0008 | 0.0006 | 0.0004 | 0.0006 | 0.0008 | 0.0006 | NA |
| Acyl-L-carnitine (18:2) 85 | 1.4302 | 1.9287 | 1.6685 | 1.6540 | 1.1324 | 1.3938 | 1.4689 | 0.5828 | 0.6349 | 1.0145 | 0.7161 | 1.0500 | 0.6272 | 0.8410 | 1.0411 | 0.1518 |
| Adenosylcobalamin 147 | 2.8112 | 3.3763 | 1.8304 | 1.5512 | 2.0489 | 2.4957 | 1.4111 | 0.1784 | 0.1300 | 0.1714 | 0.1503 | 0.2367 | 0.2253 | 0.1423 | 0.1823 | 0.2220 |
| Adenosylcobalamin 341 | 1.3523 | 1.4551 | 0.9672 | 0.6342 | 0.5707 | 1.1799 | 1.2333 | NA | NA | NA | NA | NA | NA | 0.1817 | NA | NA |
| Alanine PARENT POS | 1.7143 | 1.7240 | 1.6602 | 1.7174 | 1.6731 | 1.6968 | 1.5721 | 0.6785 | 0.7421 | 0.7676 | 0.7611 | 0.7079 | 0.7798 | 0.7308 | 0.0561 | 0.5171 |
| Asparagine 87 | 0.4456 | 0.5092 | 0.6247 | 0.4669 | 0.4950 | 0.4952 | 0.4065 | 1.6659 | 1.7068 | 1.7291 | 1.7066 | 1.6705 | 1.7594 | 1.7150 | 1.7623 | 0.2617 |
| Biotin 227 | 2.1184 | 1.3786 | 1.1363 | 1.2598 | 1.4528 | 1.1020 | 1.0484 | 0.9384 | 0.9808 | 1.0402 | 0.9690 | 0.9467 | 1.0615 | 0.9340 | 0.9279 | 0.0255 |
| Cerulenin 207 | 0.8751 | 0.6530 | 0.8082 | 1.0378 | 0.6369 | 0.6850 | 0.6021 | 0.9361 | 0.9317 | 0.9908 | 1.0008 | 1.0147 | 0.9623 | 1.1764 | 1.0382 | 4.5963 |
| Cerulenin 89 | 1.5373 | 0.7538 | 1.3257 | 1.8640 | 0.7681 | 0.8038 | 0.7580 | 1.0998 | 1.0590 | 0.9727 | 1.2335 | 1.1544 | 0.9005 | 1.4601 | 1.3861 | 0.1374 |
| Choline 60 | 0.3900 | 0.3983 | 0.4567 | 0.4779 | 0.5055 | 0.4630 | 0.3846 | 1.2376 | 1.2759 | 1.3431 | 1.2479 | 1.2595 | 1.3163 | 1.1858 | 2.0742 | 4.9750 |
| Citrulline 113 | 0.1763 | 0.1827 | 0.2031 | 0.1887 | 0.1327 | 0.1674 | 0.2091 | 2.0153 | 2.0516 | 1.9686 | 1.8386 | 1.9069 | 1.9557 | 2.0235 | 2.0128 | 0.3781 |
| Citrulline 70 | 0.1696 | 0.1684 | 0.1574 | 0.1540 | 0.1386 | 0.1192 | 0.1407 | 2.0504 | 1.9933 | 2.1069 | 2.0212 | 1.8717 | 2.0847 | 2.0066 | 1.9013 | 0.3613 |
| Cyanocobalamin 147 | 0.0210 | 0.0207 | 0.0178 | 0.0207 | 0.0185 | 0.0119 | 0.0152 | 0.1573 | 0.1381 | 0.1282 | 0.1815 | 0.1294 | 0.1750 | 0.1595 | 0.1451 | 23.9880 |
| Cyanocobalamin 457 | 0.0253 | 0.0181 | 0.0177 | 0.0183 | 0.0114 | 0.0127 | 0.0189 | 0.0943 | 0.1361 | 0.1090 | 0.0965 | 0.1199 | 0.1212 | 0.0868 | 0.1127 | 22.0016 |
| Cysteine 76 | 2.0965 | 2.3754 | 1.6870 | 2.1075 | 2.0866 | 1.6872 | 1.5873 | 0.3239 | 0.3886 | 0.3884 | 0.3432 | 0.3366 | 0.4504 | 0.3730 | 0.5225 | 0.8503 |
| Cysteine PARENT POS | 0.8200 | 1.0205 | 1.0254 | 0.9377 | 0.8345 | 1.0957 | 0.8303 | 1.2416 | 1.2280 | 1.1395 | 1.2295 | 1.1905 | 1.0864 | 1.2233 | 1.2003 | 0.8163 |
| Doxycycline 321 | 0.3360 | 1.8208 | 0.8509 | 1.0276 | 0.8112 | 0.8437 | 0.6497 | 1.3506 | 0.7340 | 0.6388 | 0.9708 | 1.2938 | 0.9295 | 1.1040 | 0.5101 | 0.7775 |
| Fasnall 218 | 0.5090 | 0.5105 | 0.6793 | 0.6950 | 0.4239 | 0.4087 | 0.6061 | 1.7954 | 1.6426 | 1.2664 | 1.7958 | 1.1712 | 1.5564 | 1.4284 | 1.5727 | 0.3791 |
| Folic 295 | 0.1710 | 0.2131 | 0.1850 | 0.1636 | 0.1673 | 0.1280 | 0.1283 | 1.5987 | 1.6790 | 1.7222 | 1.6847 | 1.5403 | 1.6721 | 1.6600 | 1.4296 | 4.7834 |
| Glutamine 130 | 0.5438 | 0.5360 | 0.6063 | 0.5130 | 0.5494 | 0.4996 | 0.4875 | 1.4031 | 1.4735 | 1.4199 | 1.4537 | 1.4640 | 1.5064 | 1.4902 | 1.6095 | 2.6492 |
| Glutamine 84 | 0.6349 | 0.6304 | 0.6863 | 0.6217 | 0.6687 | 0.5957 | 0.5850 | 1.3956 | 1.4407 | 1.4336 | 1.4159 | 1.4180 | 1.4437 | 1.4461 | 1.5478 | 2.0536 |
| Glycine PARENT POS | 1.2006 | 1.1634 | 1.0668 | 1.1187 | 1.1429 | 1.0694 | 1.0939 | 1.0309 | 1.0092 | 1.0208 | 1.0051 | 0.9805 | 1.0471 | 1.0275 | 1.0131 | 2.0066 |
| GSK2194069 344 | 1.0674 | 0.6949 | 1.3849 | 0.7398 | 0.7445 | 0.9968 | 2.0591 | 0.9130 | 1.2620 | 0.9455 | 0.9999 | 1.2641 | 0.6013 | 0.6883 | 0.7186 | 0.8878 |
| Histidine 110 POS | 0.6190 | 0.6932 | 0.6801 | 0.6339 | 0.6297 | 0.5933 | 0.5695 | 1.4909 | 1.5249 | 1.5093 | 1.5162 | 1.5111 | 1.5121 | 1.5029 | 1.5151 | 1.2472 |
| Histidine 83 | 0.3672 | 0.4411 | 0.4248 | 0.3846 | 0.3867 | 0.3587 | 0.3589 | 1.6210 | 1.6695 | 1.6417 | 1.6205 | 1.6261 | 1.6566 | 1.6428 | 1.7017 | 2.1465 |
| Isoleucine 69 | 0.5235 | 0.6065 | 0.5670 | 0.5296 | 0.5117 | 0.4757 | 0.4817 | 1.5265 | 1.5535 | 1.5479 | 1.5171 | 1.5374 | 1.5619 | 1.5280 | 1.7004 | 1.7470 |
| Leucine 86 | 0.5418 | 0.6170 | 0.6315 | 0.5176 | 0.5082 | 0.4708 | 0.5134 | 1.6103 | 1.6054 | 1.4610 | 1.5083 | 1.3932 | 1.5994 | 1.5064 | 1.6826 | 1.7494 |
| Lysine 84 | 0.1193 | 0.1594 | 0.1407 | 0.1127 | 0.1147 | 0.0834 | 0.0906 | 1.7065 | 1.7646 | 1.7648 | 1.7217 | 1.7403 | 1.8127 | 1.7399 | 1.9583 | 3.4399 |
| Malonyl-CoA 303 | 3.1330 | 2.6361 | 2.1434 | 2.4099 | 2.3220 | 2.3702 | 2.1738 | 0.0095 | 0.0130 | 0.0135 | 0.0132 | 0.0139 | 0.0085 | 0.0145 | 0.0153 | 0.0179 |
| Malonyl-CoA 428 | 1.8508 | 1.5648 | 1.3255 | 1.4984 | 1.4545 | 1.3662 | 1.2617 | NA | 0.0030 | NA | 0.0042 | 0.0017 | NA | 0.0039 | NA | 0.0049 |
| Methionine 104 | 0.6198 | 0.7058 | 0.6428 | 0.6095 | 0.5905 | 0.5649 | 0.5729 | 1.4706 | 1.4838 | 1.4887 | 1.4765 | 1.4459 | 1.5052 | 1.4764 | 1.5561 | 1.6856 |
| Methionine 61 | 0.4892 | 0.5742 | 0.5085 | 0.4841 | 0.4691 | 0.4474 | 0.4565 | 1.5269 | 1.5562 | 1.5781 | 1.5471 | 1.5275 | 1.6021 | 1.5661 | 1.6745 | 1.9883 |
| Methotrexate 134 | 1.2318 | 1.0021 | 0.6207 | 1.4343 | 0.6162 | 1.0906 | 3.1639 | NA | 0.5193 | 0.8148 | 0.5116 | 0.7744 | NA | 1.2125 | 0.6280 | NA |
| Methotrexate 308 | 1.7224 | 1.1979 | 0.9162 | 1.2805 | 0.7567 | 1.5075 | 1.0832 | 0.6896 | 1.1684 | 1.0689 | 0.8079 | 0.5281 | 0.6536 | 1.4347 | 1.0328 | 0.4433 |
| Methylcobalamin 147 | 1.0825 | 1.0111 | 1.2144 | 0.9119 | 1.4908 | 1.0380 | 1.4046 | 0.8773 | 0.8420 | 0.4085 | 0.8048 | 0.9101 | 0.4605 | 0.6774 | 0.4391 | 4.5168 |
| Methylcobalamin 636 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| Myristoyl-CoA 428 | 2.5249 | 3.1974 | 2.0626 | 2.6737 | 1.9805 | 2.5320 | 2.3365 | 0.0029 | 0.0026 | 0.0028 | 0.0023 | 0.0026 | 0.0024 | 0.0034 | 0.0016 | 0.0016 |
| NAD+ 428 | 2.5452 | 2.4208 | 2.2337 | 2.4562 | 2.4484 | 2.3797 | 2.1788 | 0.0006 | 0.0003 | 0.0004 | 0.0009 | 0.0003 | 0.0005 | 0.0011 | 0.0000 | 0.0000 |
| NAD+ 524 | 2.6792 | 2.5234 | 2.2883 | 2.5248 | 2.5453 | 2.4471 | 2.3195 | 0.0005 | 0.0006 | 0.0006 | 0.0009 | 0.0006 | 0.0008 | 0.0014 | 0.0001 | 0.0001 |
| NADH 348 | 1.8292 | 2.0053 | 1.0980 | 1.4953 | 1.3605 | 1.1527 | 1.7243 | NA | 0.0002 | 0.0003 | 0.0004 | NA | 0.0002 | 0.0003 | 0.0006 | 0.0006 |
| NADH 649 | 3.0027 | 3.2786 | 1.8498 | 2.3326 | 2.1855 | 1.9056 | 2.7656 | 0.0009 | 0.0012 | 0.0020 | 0.0012 | 0.0008 | 0.0016 | 0.0008 | 0.0016 | 0.0010 |
| Niaciamide 106 | 0.3477 | 0.4149 | 0.4201 | 0.3756 | 0.3816 | 0.3212 | 0.2960 | 1.3392 | 1.5687 | 1.7998 | 1.5047 | 1.4404 | 1.7868 | 1.3301 | 1.8465 | 3.2001 |
| Niaciamide 80 | 0.3383 | 0.4248 | 0.4100 | 0.3718 | 0.3771 | 0.3161 | 0.2922 | 1.3585 | 1.5485 | 1.7924 | 1.5033 | 1.4299 | 1.7608 | 1.3436 | 1.8971 | 3.2487 |
| O-Acetyl-L-carnitine 145 | 2.2633 | 2.2559 | 1.9817 | 2.2200 | 2.1702 | 2.1437 | 2.0275 | 0.1773 | 0.1664 | 0.1732 | 0.1734 | 0.1824 | 0.1766 | 0.1710 | 0.0494 | NA |
| O-Acetyl-L-carnitine 85 | 2.4047 | 2.3946 | 2.1151 | 2.4099 | 2.3116 | 2.2450 | 2.1918 | 0.1723 | 0.1766 | 0.1782 | 0.1759 | 0.1745 | 0.1790 | 0.1751 | 0.0286 | 0.0003 |
| Ornithine 70 | 0.2335 | 0.2976 | 0.2561 | 0.2274 | 0.2290 | 0.1849 | 0.1849 | 1.9545 | 2.0043 | 2.0204 | 1.9907 | 1.9847 | 2.0600 | 1.9688 | 1.7236 | 0.0053 |
| pABA 120 | 0.0871 | 0.0965 | 0.0786 | 0.0601 | 0.0677 | 0.0409 | 0.0440 | 0.9207 | 1.1197 | 1.0379 | 0.9685 | 1.0775 | 1.0550 | 0.9872 | 9.2242 | 0.6663 |
| Pantothenic 202 | 2.1865 | 1.5781 | 1.4041 | 1.6212 | 1.7326 | 1.5419 | 1.3451 | 0.3820 | 0.4981 | 0.5385 | 0.6752 | 0.5079 | 0.5026 | 0.5784 | 0.6558 | 2.3678 |
| Penicillin G 289 POS | 0.6716 | 0.8042 | 0.7435 | 0.6874 | 0.6841 | 0.5671 | 0.5798 | 1.5653 | 1.5737 | 1.5938 | 1.5656 | 1.5504 | 1.6109 | 1.5744 | 1.5613 | 0.0000 |
| Proline 70 | 0.6737 | 0.7182 | 0.6432 | 0.6481 | 0.6356 | 0.5790 | 0.5735 | 1.4401 | 1.4747 | 1.4865 | 1.4493 | 1.4473 | 1.5064 | 1.4722 | 1.5652 | 1.5302 |
| Puro Heavy 121 | 0.6703 | 0.3586 | 1.0684 | 1.3583 | 0.4106 | 0.3571 | 0.7060 | 0.5152 | 1.0116 | 1.1224 | 0.6848 | 6.1823 | 0.8476 | 0.7114 | 0.6840 | 0.3908 |
| Pyridoxine 134 | 0.3455 | 0.4079 | 0.3715 | 0.3286 | 0.3374 | 0.2621 | 0.2754 | 1.5117 | 1.5643 | 1.5893 | 1.4876 | 1.4813 | 1.6061 | 1.4558 | 1.7178 | 3.8866 |
| Pyridoxine 152 | 0.3567 | 0.4148 | 0.3739 | 0.3346 | 0.3441 | 0.2667 | 0.2799 | 1.5082 | 1.5525 | 1.5924 | 1.4930 | 1.5117 | 1.6445 | 1.4809 | 1.7132 | 3.6977 |
| Serine 60 | 0.6112 | 0.7034 | 0.6760 | 0.6851 | 0.6581 | 0.6404 | 0.6249 | 1.4116 | 1.4311 | 1.4310 | 1.4266 | 1.4076 | 1.4710 | 1.4272 | 1.6610 | 1.5998 |
| Thiamine 122 | 0.3260 | 0.3801 | 0.3442 | 0.3152 | 0.3155 | 0.2763 | 0.2834 | 1.5354 | 1.5845 | 1.6599 | 1.5773 | 1.5510 | 1.6217 | 1.5866 | 1.4240 | 3.8280 |
| Threonine 102 | 0.3411 | 0.3728 | 0.3666 | 0.3638 | 0.3583 | 0.3342 | 0.3247 | 1.4808 | 1.5323 | 1.5280 | 1.4943 | 1.4847 | 1.5030 | 1.5059 | 1.6693 | 4.0098 |
| Threonine 74 POS | 0.3806 | 0.4172 | 0.4066 | 0.3982 | 0.3988 | 0.3773 | 0.3609 | 1.5033 | 1.5250 | 1.5269 | 1.5124 | 1.4814 | 1.5471 | 1.5361 | 1.6860 | 3.4117 |
| Tryptophan 118 | 0.4322 | 0.4973 | 0.4082 | 0.4103 | 0.4140 | 0.3671 | 0.3663 | 1.4713 | 1.4945 | 1.5489 | 1.4797 | 1.4725 | 1.5595 | 1.5099 | 1.7670 | 3.2020 |
| Tryptophan 146 | 0.4750 | 0.5436 | 0.4419 | 0.4641 | 0.4596 | 0.4047 | 0.4122 | 1.4887 | 1.5118 | 1.5609 | 1.4934 | 1.4894 | 1.5709 | 1.5393 | 1.7359 | 2.6128 |
| TVB-2640 386 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| TVB-2640 412 | 1.2421 | 0.9393 | 1.2413 | 1.1598 | 1.0339 | 1.3743 | 1.1674 | 0.9011 | 1.2340 | 1.0376 | 0.9685 | 0.8725 | 1.1131 | 0.8810 | 0.6335 | 0.6875 |
| TVB-3166 116 | 1.1708 | 1.7926 | 1.2528 | 1.4289 | 0.7525 | 1.5054 | 1.1667 | 1.2756 | 1.1507 | 1.0805 | 1.1421 | 0.6746 | 0.7182 | 1.3400 | 0.4189 | 0.2401 |
| TVB-3166 342 | 1.0226 | 2.2753 | 2.2586 | 0.9928 | 1.0103 | 1.1506 | 1.1793 | 0.6236 | 0.9398 | 0.7132 | 1.0329 | 0.4860 | 0.4424 | 0.8991 | 0.5207 | 0.2767 |
| Tyrosine 123 | 0.4079 | 0.5412 | 0.4486 | 0.4382 | 0.4059 | 0.3956 | 0.3827 | 1.5526 | 1.5855 | 1.6004 | 1.5318 | 1.5386 | 1.6191 | 1.5765 | 1.7090 | 2.3995 |
| Tyrosine 136 | 0.4417 | 0.5789 | 0.4906 | 0.4466 | 0.4221 | 0.4130 | 0.4133 | 1.5288 | 1.5983 | 1.5991 | 1.5587 | 1.5447 | 1.6135 | 1.5789 | 1.6311 | 2.2111 |
| Urea 44 | 0.3908 | 0.4461 | 0.4142 | 0.3796 | 0.3776 | 0.3343 | 0.3378 | 1.8645 | 1.8747 | 1.9147 | 1.8646 | 1.8743 | 1.9241 | 1.8900 | 1.4263 | 0.0016 |
| Valine 55 | 0.3934 | 0.4622 | 0.4355 | 0.4048 | 0.3870 | 0.3717 | 0.3651 | 1.4363 | 1.4725 | 1.4902 | 1.4444 | 1.4388 | 1.5059 | 1.4535 | 1.7394 | 3.7985 |
| Valine 72 | 0.4634 | 0.5386 | 0.4960 | 0.4732 | 0.4543 | 0.4306 | 0.4341 | 1.4529 | 1.4965 | 1.5068 | 1.4562 | 1.4673 | 1.5027 | 1.4767 | 1.6925 | 2.9866 |
| VY-3-135 355 | 0.9221 | 0.4832 | 1.0709 | 0.7671 | 0.4928 | 0.4681 | 0.9821 | 1.3588 | 1.1674 | 1.9414 | 1.5158 | 1.3083 | 1.2742 | 1.7144 | 1.3463 | 0.1618 |
| VY-3-135 412 | 0.9654 | 1.0916 | 1.3270 | 1.4280 | 0.5984 | 0.8708 | 1.1348 | 0.7692 | 0.8868 | 1.9056 | 1.8613 | 1.4679 | 0.9096 | 0.6819 | 0.7019 | 0.1658 |
| VY-7-137 233 | 1.1098 | 0.4502 | 0.5687 | 0.3984 | 0.7725 | 0.6045 | 0.4404 | 4.3275 | 0.6604 | 0.4398 | 1.5776 | 2.4416 | 0.8225 | 0.6528 | 0.5227 | 0.2916 |
| VY-7-137 508 | 1.2109 | 1.2021 | 1.3423 | 1.1906 | 1.0440 | 1.0821 | 1.3618 | 0.8147 | 0.8685 | 0.8821 | 0.9962 | 0.8863 | 1.2572 | 1.1082 | 1.9650 | 0.0375 |
Factors:
| F1 | Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug Treatment:100 uM C75 |
| F2 | Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug Treatment:15 uM C75 |
| F3 | Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug Treatment:1 uM C75 |
| F4 | Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug Treatment:20 uM C75 |
| F5 | Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug Treatment:40 uM C75 |
| F6 | Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug Treatment:5 uM C75 |
| F7 | Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug Treatment:Control |
| F8 | Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug Treatment:100 uM C75 |
| F9 | Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug Treatment:15 uM C75 |
| F10 | Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug Treatment:1 uM C75 |
| F11 | Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug Treatment:20 uM C75 |
| F12 | Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug Treatment:40 uM C75 |
| F13 | Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug Treatment:5 uM C75 |
| F14 | Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug Treatment:Control |
| F15 | Sample source:NA | Sample Type:Medium | Drug Treatment:NA |
| F16 | Sample source:NA | Sample Type:QC | Drug Treatment:NA |