Table 2.
Key differentially expressed metabolites identified by liquid chromatography-mass spectrometry-based metabolomics analysis between patients with PD with and without depression.
| Compound IDa | Compound name | m/z value | RT (min) | Ion mode | FCvalueb, c | VIPvaluec | pvaluec |
|---|---|---|---|---|---|---|---|
| HMDB36133 | 3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol | 275.1573 | 6.6012 | Positive | 0.6558 | 1.7468 | 0.0000 |
| HMDB31892 | Capsianoside II | 362.5188 | 6.2251 | Positive | 0.6412 | 1.1183 | 0.0011 |
| HMDB02327 | 1,11-undecanedicarboxylic acid | 511.3255 | 6.2251 | Positive | 0.6114 | 1.3346 | 0.0030 |
| HMDB56318 | DG(20:2n6/0:0/20:5n3) | 349.2424 | 7.8697 | Positive | 2.4783 | 1.1013 | 0.0038 |
| HMDB02472 | (3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-glucopyranosiduronic a | 622.3352 | 6.4951 | Negative | 0.5919 | 1.3399 | 0.0038 |
| HMDB09112 | PE(18:2(9Z,12Z)/24:0) | 291.6477 | 6.7939 | Positive | 0.5684 | 1.2768 | 0.0039 |
| HMDB11768 | Cer(d18:0/24:0) | 564.3164 | 6.3557 | Positive | 0.6219 | 1.1326 | 0.0043 |
| HMDB12052 | Ganglioside GT3 | 849.9375 | 6.2251 | Positive | 0.5873 | 1.0936 | 0.0046 |
| HMDB02231 | Eicosenoic acid | 309.2803 | 7.8649 | Negative | 1.7393 | 1.1741 | 0.0053 |
| 5283546 | Ubiquinone 8 | 707.5316 | 9.3385 | Negative | 0.5691 | 1.5228 | 0.0055 |
| HMDB61687 | Estradiol acetate glucuronide | 491.2330 | 7.8697 | Positive | 2.1162 | 1.0804 | 0.0062 |
| HMDB07004 | CPA(18:0) | 457.2138 | 7.8649 | Negative | 1.7405 | 1.3792 | 0.0066 |
| HMDB05050 | 15H-11,12-EETA | 717.4415 | 9.3385 | Negative | 0.6480 | 1.3399 | 0.0067 |
| HMDB35884 | Melledonol | 435.2033 | 7.8697 | Positive | 1.8629 | 1.1410 | 0.0070 |
| HMDB10393 | LysoPC(20:3(5Z,8Z,11Z)) | 580.3185 | 6.0620 | Negative | 0.6378 | 1.1149 | 0.0072 |
| HMDB00054 | Bilirubin | 602.2940 | 6.9452 | Positive | 0.6526 | 1.1481 | 0.0072 |
| HMDB61112 | 3-carboxy-4-methyl-5-propyl-2-furanpropionic acid | 503.1898 | 7.8697 | Positive | 1.6347 | 1.1415 | 0.0073 |
| HMDB06528 | Docosapentaenoic acid | 329.2489 | 7.0345 | Negative | 1.5535 | 1.2833 | 0.0079 |
| HMDB13132 | Hydroxyvalerylcarnitine | 571.3428 | 6.6101 | Negative | 0.6668 | 1.5142 | 0.0085 |
| HMDB36122 | [6]-gingerdiol 4′-O-beta-D-glucopyranoside | 439.2376 | 7.8649 | Negative | 2.3428 | 1.3651 | 0.0092 |
| HMDB10357 | Tetrahydroaldosterone-3-glucuronide | 539.2509 | 2.8699 | Negative | 0.5838 | 1.4905 | 0.0098 |
| HMDB03876 | 15(S)-hydroxyeicosatrienoic acid | 367.2137 | 7.8628 | Positive | 1.6883 | 1.2439 | 0.0099 |
| HMDB03178 | Heme | 661.1760 | 7.8718 | Negative | 2.2621 | 1.4164 | 0.0101 |
| HMDB04924 | Ganglioside GD2 (d18:0/18:1(9Z)) | 856.9514 | 6.2251 | Positive | 0.5699 | 1.3039 | 0.0101 |
| HMDB33372 | Stearoyllactic acid | 377.2690 | 7.8649 | Negative | 1.6552 | 1.2258 | 0.0101 |
| HMDB04666 | 2-arachidonylglycerol | 417.2318 | 7.8628 | Positive | 1.6767 | 1.0197 | 0.0111 |
| HMDB00207 | Cis-cetoleic acid | 337.3120 | 8.3029 | Negative | 2.0741 | 1.7107 | 0.0126 |
| HMDB40733 | Phytyl acetate | 383.2901 | 8.3010 | Positive | 2.6419 | 1.6090 | 0.0144 |
| HMDB01181 | 4α-carboxy-4β-ethyl-5α-cholesta-8,24-dien-3β-ol | 519.2643 | 8.3010 | Positive | 2.6728 | 1.6980 | 0.0145 |
| HMDB02385 | Celastrol | 485.2448 | 8.3029 | Negative | 2.3661 | 1.5956 | 0.0155 |
| HMDB00235 | Thiamine | 531.2198 | 8.3010 | Positive | 2.3720 | 1.6565 | 0.0157 |
| HMDB06765 | 2-methoxy-estradiol-17b 3-glucuronide | 459.2057 | 7.8718 | Negative | 1.5666 | 1.1844 | 0.0157 |
| HMDB33337 | Fusarin C | 468.1464 | 6.4264 | Negative | 1.7382 | 1.4644 | 0.0168 |
| HMDB00809 | N-glycoloylganglioside GM1 | 812.9456 | 6.2251 | Positive | 0.6698 | 1.2230 | 0.0177 |
| LMPR04000010 | 2-methylbacteriohopane-32,33,34,35-tetrol | 581.4554 | 6.8783 | Negative | 1.5976 | 1.2967 | 0.0178 |
| HMDB00651 | Decanoylcarnitine | 653.4745 | 8.6022 | Positive | 0.6570 | 1.1854 | 0.0180 |
| HMDB06246 | Tetracosatetraenoic acid (24:4n-6) | 405.2998 | 8.3029 | Negative | 2.3812 | 1.6977 | 0.0186 |
| HMDB04309 | Triterpenoid | 535.2935 | 6.0458 | Positive | 0.6488 | 1.3223 | 0.0189 |
| HMDB11494 | LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z)) | 526.2952 | 5.2339 | Negative | 0.4995 | 1.1323 | 0.0200 |
| HMDB00508 | Ribitol | 455.1960 | 7.4471 | Negative | 1.8272 | 1.0417 | 0.0202 |
| HMDB00027 | Tetrahydrobiopterin | 500.2783 | 5.3003 | Positive | 0.5117 | 1.2442 | 0.0210 |
| HMDB02925 | 8,11,14-eicosatrienoic acid | 339.2892 | 9.3361 | Positive | 0.6451 | 1.1500 | 0.0220 |
| HMDB29482 | Didymin | 593.1895 | 7.8649 | Negative | 1.9325 | 1.2976 | 0.0224 |
| HMDB09055 | PE(18:1(9Z)/16:0) | 794.4496 | 6.2251 | Positive | 0.6046 | 1.2594 | 0.0228 |
| HMDB53219 | TG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3] | 901.6793 | 7.3508 | Negative | 1.6115 | 1.3523 | 0.0228 |
| HMDB61701 | 2-oleoylglycerophosphocholine | 521.3495 | 5.5826 | Negative | 0.6010 | 1.3357 | 0.0232 |
| LMST05010016 | 6alpha-glucuronosylhyodeoxycholate | 284.6664 | 6.0595 | Positive | 0.6197 | 1.2900 | 0.0233 |
| HMDB00476 | 3-oxo-4,6-choladienoic acid | 779.4714 | 6.2251 | Positive | 0.5820 | 1.3608 | 0.0234 |
| HMDB08189 | PC(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 850.5363 | 8.2253 | Positive | 0.4798 | 1.1905 | 0.0237 |
| HMDB00387 | 3-hydroxydodecanoic acid | 293.0903 | 2.1975 | Positive | 0.5924 | 1.4002 | 0.0243 |
| HMDB60579 | Ramiprilat | 425.1488 | 6.4264 | Negative | 1.5224 | 1.3263 | 0.0246 |
| HMDB00913 | Vanillactic acid | 469.1365 | 6.6995 | Negative | 2.0884 | 1.2691 | 0.0249 |
| HMDB10326 | Thyroxine glucuronide | 951.6940 | 7.3508 | Negative | 1.7267 | 1.3201 | 0.0250 |
| HMDB00949 | Tetrahydrocortisol | 755.4739 | 7.4452 | Positive | 1.7720 | 1.2388 | 0.0263 |
| HMDB03577 | VPGPR Enterostatin | 557.3389 | 6.9452 | Positive | 0.5808 | 1.1159 | 0.0264 |
| HMDB04913 | Ganglioside GD3 (D18:1/16:0) | 804.9525 | 6.2251 | Positive | 0.6007 | 1.3974 | 0.0266 |
| HMDB60508 | Secalciferol | 877.6602 | 6.8783 | Negative | 2.1024 | 1.4062 | 0.0273 |
| HMDB03598 | Retinyl ester | 649.4431 | 6.8783 | Negative | 1.5325 | 1.2533 | 0.0278 |
| HMDB34336 | Dolichosterone | 969.6667 | 7.3508 | Negative | 1.6119 | 1.3317 | 0.0283 |
| HMDB11874 | Ganglioside GD3 (d18:1/23:0) | 793.9482 | 6.2251 | Positive | 0.6681 | 1.4021 | 0.0286 |
| HMDB35864 | 13-hydroxy-5′-O-methylmelledonal | 232.1028 | 0.6080 | Positive | 0.4595 | 1.1234 | 0.0294 |
| HMDB55312 | TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))[iso3] | 941.6378 | 7.3489 | Positive | 1.7494 | 1.3972 | 0.0294 |
| HMDB10397 | LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)) | 542.3235 | 5.2315 | Positive | 0.5336 | 1.2340 | 0.0298 |
| HMDB13456 | PC(O-22:2(13Z,16Z)/22:3(10Z,13Z,16Z)) | 878.7119 | 7.3489 | Positive | 2.2710 | 1.0600 | 0.0316 |
| HMDB09210 | PA(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 741.4523 | 7.8628 | Positive | 1.9090 | 1.1151 | 0.0320 |
| HMDB00079 | Dihydrothymine | 383.1757 | 6.6995 | Negative | 1.6348 | 1.1711 | 0.0329 |
| HMDB13111 | Ubiquinol-10 | 941.6087 | 6.8764 | Positive | 1.7289 | 1.3385 | 0.0335 |
| HMDB04162 | Galactan | 533.2137 | 8.3010 | Positive | 1.7240 | 1.5959 | 0.0340 |
| HMDB07046 | DG(14:1(9Z)/18:3(6Z,9Z,12Z)/0:0) | 605.1058 | 6.6995 | Negative | 2.2738 | 1.3274 | 0.0341 |
| HMDB02596 | Deoxycholic acid 3-glucuronide | 607.2992 | 6.9452 | Positive | 0.6623 | 1.0737 | 0.0356 |
| HMDB13622 | Nonadeca-10(Z)-enoic acid | 295.2644 | 7.6170 | Negative | 1.7845 | 1.3472 | 0.0357 |
| HMDB61691 | 1-heptadecanoylglycerophosphoethanolamine | 935.5914 | 6.8764 | Positive | 1.9111 | 1.3195 | 0.0373 |
| HMDB01185 | S-adenosylmethionine | 354.1748 | 6.6976 | Positive | 1.8280 | 1.2410 | 0.0378 |
| HMDB10343 | 1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid | 403.1453 | 6.6995 | Negative | 1.7895 | 1.1716 | 0.0409 |
| HMDB07892 | PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[U] | 822.5290 | 8.2685 | Negative | 0.5697 | 1.2126 | 0.0425 |
| HMDB01999 | Eicosapentaenoic acid | 301.2182 | 8.5553 | Negative | 0.4157 | 1.0496 | 0.0427 |
| HMDB04863 | Ganglioside GM1 (d18:1/24:0) | 825.0025 | 6.9452 | Positive | 0.5165 | 1.2551 | 0.0442 |
| HMDB11489 | LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z)) | 498.2638 | 5.3026 | Negative | 0.5686 | 1.2098 | 0.0463 |
| HMDB11891 | Ganglioside GM1 (d18:1/18:1(11Z)) | 513.2805 | 5.1514 | Negative | 2.6454 | 1.0136 | 0.0468 |
| HMDB01138 | N-acetylglutamic acid | 379.1386 | 6.6976 | Positive | 1.6936 | 1.2277 | 0.0473 |
| HMDB32033 | 2,4,12-octadecatrienoic acid isobutylamide | 378.2729 | 9.0679 | Positive | 0.6475 | 1.0131 | 0.0474 |
| HMDB00962 | Lipoamide | 586.3166 | 5.0825 | Negative | 0.4844 | 1.1850 | 0.0479 |
| HMDB00319 | 18-hydroxycorticosterone | 395.2425 | 8.3010 | Positive | 1.6211 | 1.6175 | 0.0484 |
| HMDB07951 | PC(15:0/20:5(5Z,8Z,11Z,14Z,17Z)) | 810.5286 | 8.4060 | Negative | 0.4467 | 1.0508 | 0.0489 |
| HMDB32002 | Dehydrotomatine | 352.1781 | 6.6976 | Positive | 1.5554 | 1.1068 | 0.0492 |
a
Compound ID was mainly exhibited based on the Human Metabolome Database (www.hmdb.ca), and the others based on National Center for Biotechnology Information (www.ncbi.nlm.nih.gov/pccompound/) or LIPID MAPS (www.lipidmaps.org).
b
FC value was calculated as the ratio of the average mass response (area) between the two groups (FC value = PDD/PD). Thus, FC values >1 indicate significantly higher levels in the PDD group relative to the PD group while FC values <1 indicate significantly lower levels in the PDD group.
c
Only metabolites with FC values greater than ± 1.5, VIP values greater than 1.0 and p values less than 0.05 were deemed statistically significant.
PD, Parkinson's disease; RT, retention time; FC, fold change; VIP, variable influence on projection; PDD, Parkinson's disease related depression.