差异代谢物筛选
通过对代谢物进行筛选，寻找差异代谢物（biomarker）。相关差异代谢物筛选条件有：
详细含义：
| 筛选值 | 筛选值含义 | 筛选阈值 | 备注 |
|---|---|---|---|
| p-value | 统计学上显著差异 | p-value ≤ 0.05 | 无 |
| VIP | OPLS-DA第一主成分变量重要性值投影 | VIP ≥ 1 | 无 |
| Fold change | 两两组别间倍性变化 | fold_change ≥1.5或≤0.667 | 含量差异较大 |
本实验采用条件 1
进行代谢物筛选，最终获得的差异代谢物见下表：
DOWNLOAD
| Accession | A_Mean | A_Median | A_RSD | B_Mean | B_Median | B_RSD | FC | log2FC | P.value | -log10(P.value) | FDR | VIP |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1-Nonadecene | 3433076.970 | 3433076.970 | 7.920 | 5014048.160 | 5036350.090 | 4.590 | 0.680 | -0.550 | 0.000 | 5.910 | 0.000 | 1.025 |
| 2-Aminomalonic acid | 330279.860 | 330427.150 | 5.760 | 30146.390 | 30146.390 | 0.000 | 10.960 | 3.450 | 0.000 | 8.720 | 0.000 | 1.065 |
| 2-Butenedioic acid, (E)- | 3346103.600 | 3346103.600 | 8.800 | 1574364.100 | 1555883.070 | 6.520 | 2.130 | 1.090 | 0.000 | 7.860 | 0.000 | 1.049 |
| 3-Deoxyhexitol | 3691828.280 | 3704767.950 | 5.500 | 30146.390 | 30146.390 | 0.000 | 122.460 | 6.940 | 0.000 | 10.330 | 0.000 | 1.066 |
| 4-Aminobutanoic acid | 6696593.670 | 6696593.670 | 8.600 | 33786082.180 | 33684232.620 | 3.620 | 0.200 | -2.330 | 0.000 | 11.860 | 0.000 | 1.063 |
| 9,12-Octadecadienoic acid (Z,Z)- | 13349432.190 | 13449497.350 | 4.240 | 30146.390 | 30146.390 | 0.000 | 442.820 | 8.790 | 0.000 | 11.410 | 0.000 | 1.066 |
| Adenine | 6891574.570 | 7181134.300 | 10.810 | 30146.390 | 30146.390 | 0.000 | 228.600 | 7.840 | 0.000 | 9.000 | 0.000 | 1.065 |
| Benzoic Acid | 486314.480 | 486314.480 | 20.070 | 1352028.080 | 1317153.340 | 7.510 | 0.360 | -1.480 | 0.000 | 4.520 | 0.000 | 1.026 |
| Benzoic acid, 4-ethoxy-, ethyl ester | 6398291.250 | 6398291.250 | 0.860 | 12741906.660 | 12998983.060 | 5.370 | 0.500 | -0.990 | 0.000 | 6.390 | 0.000 | 1.059 |
| Butanedioic acid | 2464299.070 | 2464299.070 | 4.030 | 7583672.820 | 7550416.210 | 3.820 | 0.320 | -1.620 | 0.000 | 12.550 | 0.000 | 1.063 |
| Citric acid | 16225863.600 | 16225863.610 | 11.590 | 85474649.340 | 85072918.840 | 3.630 | 0.190 | -2.400 | 0.000 | 7.290 | 0.000 | 1.062 |
| D-Fucitol | 6525059.980 | 6525059.980 | 1.430 | 30146.390 | 30146.390 | 0.000 | 216.450 | 7.760 | 0.000 | 13.550 | 0.000 | 1.066 |
| D-Galactonic acid | 30146.390 | 30146.390 | 0.000 | 6568359.790 | 6526712.750 | 6.460 | 0.000 | -7.770 | 0.000 | 10.300 | 0.000 | 1.066 |
| DL-Phenylalanine | 5224926.490 | 5361133.820 | 7.070 | 30146.390 | 30146.390 | 0.000 | 173.320 | 7.440 | 0.000 | 9.880 | 0.000 | 1.065 |
| Ethanamine | 30964440.370 | 31001102.840 | 1.040 | 58352206.610 | 58620261.640 | 3.040 | 0.530 | -0.910 | 0.000 | 8.400 | 0.000 | 1.065 |
| Glycerol | 80020497.060 | 78406054.330 | 7.190 | 21946400.280 | 21810585.770 | 2.890 | 3.650 | 1.870 | 0.000 | 11.870 | 0.000 | 1.064 |
| Glycine | 8409891.720 | 8541473.190 | 4.590 | 2130075.490 | 2089587.170 | 11.640 | 3.950 | 1.980 | 0.000 | 9.960 | 0.000 | 1.057 |
| Glycolic acid | 30146.390 | 30146.390 | 0.000 | 5364455.460 | 5420003.600 | 6.150 | 0.010 | -7.480 | 0.000 | 10.240 | 0.000 | 1.066 |
| Guanosine | 7774599.260 | 7774599.260 | 1.650 | 30146.390 | 30146.390 | 0.000 | 257.890 | 8.010 | 0.000 | 13.310 | 0.000 | 1.066 |
| Hydracrylic acid | 30146.390 | 30146.390 | 0.000 | 1653619.820 | 1664994.660 | 12.230 | 0.020 | -5.780 | 0.000 | 8.200 | 0.000 | 1.065 |
| Kaempferol | 6755770.670 | 6860474.910 | 6.670 | 30146.390 | 30146.390 | 0.000 | 224.100 | 7.810 | 0.000 | 10.130 | 0.000 | 1.066 |
| L-Aspartic acid | 10446087.330 | 10465241.570 | 2.420 | 3668188.140 | 3326964.460 | 28.030 | 2.850 | 1.510 | 0.000 | 3.780 | 0.000 | 1.021 |
| L-Leucine | 2566149.820 | 2566149.820 | 7.750 | 30146.390 | 30146.390 | 0.000 | 85.120 | 6.410 | 0.000 | 9.470 | 0.000 | 1.065 |
| L-Methionine | 1129865.070 | 1162263.560 | 10.630 | 30146.390 | 30146.390 | 0.000 | 37.480 | 5.230 | 0.000 | 8.170 | 0.000 | 1.065 |
| L-Threonine | 5325928.700 | 5417099.070 | 5.790 | 30146.390 | 30146.390 | 0.000 | 176.670 | 7.460 | 0.000 | 10.340 | 0.000 | 1.066 |
| Lactic Acid | 834207.020 | 834207.020 | 9.540 | 7235991.170 | 7218073.970 | 1.570 | 0.120 | -3.120 | 0.000 | 7.800 | 0.000 | 1.065 |
| Malic acid | 18731765.110 | 18235105.050 | 9.960 | 122609274.900 | 122491592.100 | 3.820 | 0.150 | -2.710 | 0.000 | 12.160 | 0.000 | 1.062 |
| Methanesulfinic acid | 645084.460 | 669741.470 | 14.620 | 30146.390 | 30146.390 | 0.000 | 21.400 | 4.420 | 0.000 | 7.050 | 0.000 | 1.063 |
| Myo-Inositol | 8232418.850 | 8232418.850 | 13.100 | 29316868.520 | 28945341.480 | 3.060 | 0.280 | -1.830 | 0.000 | 5.990 | 0.000 | 1.057 |
| N,N-Dimethylglycine | 5347292.560 | 5453276.350 | 5.070 | 30146.390 | 30146.390 | 0.000 | 177.380 | 7.470 | 0.000 | 10.640 | 0.000 | 1.066 |
| Niacin | 30146.390 | 30146.390 | 0.000 | 2773173.510 | 2709881.010 | 11.590 | 0.010 | -6.520 | 0.000 | 8.760 | 0.000 | 1.065 |
| Oxalic acid | 90616143.620 | 90616143.620 | 5.690 | 30146.390 | 30146.390 | 0.000 | 3005.870 | 11.550 | 0.000 | 11.410 | 0.000 | 1.066 |
| Palmitic Acid | 4379490.130 | 4399247.270 | 2.330 | 6087613.870 | 6052410.190 | 6.000 | 0.720 | -0.480 | 0.000 | 6.680 | 0.000 | 1.037 |
| Putrescine | 1761248.830 | 1878088.530 | 15.750 | 30146.390 | 30146.390 | 0.000 | 58.420 | 5.870 | 0.000 | 7.460 | 0.000 | 1.064 |
| Scyllo-Inositol | 6775460.500 | 6781412.690 | 8.110 | 30146.390 | 30146.390 | 0.000 | 224.750 | 7.810 | 0.000 | 9.730 | 0.000 | 1.065 |
| Sinapinic acid | 13552586.230 | 13737895.620 | 11.200 | 50709765.020 | 51391121.280 | 4.760 | 0.270 | -1.900 | 0.000 | 9.680 | 0.000 | 1.059 |
| Uridine | 15694983.440 | 16517278.600 | 13.350 | 30146.390 | 30146.390 | 0.000 | 520.630 | 9.020 | 0.000 | 8.800 | 0.000 | 1.065 |
| -Alanine | 863455.370 | 875271.050 | 9.230 | 399022.310 | 396155.440 | 6.720 | 2.160 | 1.110 | 0.000 | 7.730 | 0.000 | 1.044 |
注：Accession，差异代谢物名称；分组_Mean，该代谢物在不同分组中信号分布的平均值；分组_Median，该代谢物在不同分组中信号分布的中位值；分组_RSD，该代谢物在此分组中信号相应的相对标准偏差；FC，代谢物在不同组别中的差异倍数值；log2(FC)，代谢物在不同组别中的差异倍数的log2值，差异倍数FC = 平均值(实验组)/平均值(对照组)；P.value，统计学p 值，越小说明差异越显著；-log10（P.value）：统计学P值的-log10值；FDR，假阳性校正后值，采用BH(Benjaminiand Hochberg)计算，数值越大假阳性的可能越高；VIP，OPLS-DA第一主成分变量重要性值投影。