Table 3. All features (named and un-matched) associated with SLE status.
Association models with SLE as the outcome and feature abundance in plasma as the predictor, adjusted for sex and age. Discovery and replication results are shown. Bold features highlight replicated features.
| Feature | Discovery | Replication | Potential match | Chemical interpretation | Association with SLE status | ||
|---|---|---|---|---|---|---|---|
| P-value | β-coeff (95% CI*) | P-value | β-coeff (95% CI) * | ||||
| unknown_165.0249_5.012 | 5.75E-14 | 0.586 (0.44 – 0.733) | 0.003 | 1.308 (0.507 – 2.108) | 4-Methoxyphenylisothiocyanate, 4-Hydroxybenzyl isothiocyanate | Positive | |
| unknown_451.9869_5.459 | 2.29E-09 | 0.496 (0.338 – 0.654) | 0.008 | 0.664 (0.205 – 1.123) | Positive | ||
| unknown_1046.5034_4.935 | 2.56E-09 | 0.648 (0.441 – 0.856) | 0.001 | 1.361 (0.62 – 2.102) | Positive | ||
| unknown_247.9887_0.701 | 5.54E-09 | −1.167 (−1.55 – −0.785) | 0.002 | −2.235 (−3.539 – −0.932) | Negative | ||
| unknown_294.1864_6.348 | 3.46E-08 | −1.261 (−1.699 – −0.823) | 0.0002 | −3.185 (−4.63 – −1.74) | Tetradecyl sulfate | Sclerosing medication for varices | |
| C5H16N6O2S_224.1049_4.174 | 5.71E-08 | 1.517 (0.981 – 2.053) | 0.76 | −0.305 (−2.24 – 1.63) | 2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one | Positive | |
| unknown_320.0465_0.664 | 1.40E-07 | −0.553 (−0.754 – −0.351) | 0.44 | −0.237 (−0.838 – 0.363) | 8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone | Negative | |
| unknown_453.2856_6.048 | 4.01E-07 | −1.204 (−1.661 – −0.748) | 8.23E-08 | −3.546 (−4.535 – −2.557) | 1-palmitoyl-phosphatidylethenolamine, Glycerophospho-N-Palmitoyl Ethanolamine, hexadecanoyl-lysophosphatidylethanolamine, Sambutoxin | Endogenous cannabinoid precursor, mycotoxin | Negative |
| unknown_382.239_6.981 | 1.26E-06 | −0.529 (−0.739 – −0.319) | 1.38E-05 | −1.938 (−2.67 – −1.206) | Sarcostin | Corticosteroid hormone | Negative |
| C17H18F21IN11OS_950.0128_5.227 | 1.60E-06 | 0.441 (0.264 – 0.619) | 0.568 | 0.185 (−0.442 – 0.812) | Positive | ||
| unknown_240.1361_5.492 | 2.66E-06 | −0.83 (−1.171 – −0.49) | 0.072 | −1.162 (−2.383 – 0.06) | Negative | ||
| C25H50FN3O10_571.348_6.137 | 4.68E-06 | −0.748 (−1.063 – −0.433) | 1.23E-05 | −2.012 (−2.767 – −1.257) | Negative | ||
| C9H16Cl4F2N3O_360.0021_0.7 | 5.97E-06 | −0.524 (−0.748 – −0.301) | 0.418 | −0.368 (−1.245 – 0.51) | n-heptanoyl acetic acid | Metabolite of Heptanoic Acid: used in the synthesis of fragrances and artificial flavor preparations. | Negative |
| C18H32O2_280.241_8.13 | 6.21E-06 | −2.161 (−3.084 – −1.238) | 4.79E-04 | −5.265 (−7.9 – −2.631) | Negative | ||
| Monomethyl phthalate_180.0425_3.878 | 7.21E-06 | 0.615 (0.35 – 0.879) | 0.085 | 0.748 (−0.075 – 1.572) | m-Hydroxyphenylpyruvic acid, Caffeate, 4-Hydroxyphenylpyruvic acid, trans-2,3-Dihydroxycinnamate, Caffeic Acid, Monomethyl phthalate, 2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid, Aspirin | Positive | |
| C32H50F2N9O3S4_774.2878_4.848 | 7.93E-06 | −0.587 (−0.841 – −0.334) | 0.009 | −1.242 (−2.115 – −0.369) | Negative | ||
| C20H32O2_304.2408_8.003 | 8.16E-06 | −1.337 (−1.916 – −0.759) | 0.001 | −3.056 (−4.708 – −1.403) | Negative | ||
| unknown_416.0883_4.063 | 9.81E-06 | 0.608 (0.342 – 0.873) | 3.52E-05 | 1.77 (1.055 – 2.484) | Calomelanol D | Plant metabolite | Positive |
| unknown_240.0748_5.224 | 1.10E-05 | −0.771 (−1.109 – −0.432) | 0.868 | 0.105 (−1.123 – 1.333) | Dinoseb, Dinoterb | Herbicide | Negative |
| C38H67F2O7S_705.4575_7.322 | 1.25E-05 | −0.379 (−0.546 – −0.211) | 0.028 | −0.869 (−1.605 – −0.133) | Negative | ||
| unknown_1240.8754_3.782 | 1.40E-05 | −0.59 (−0.853 – −0.328) | 3.93E-04 | −1.154 (−1.721 – −0.587) | Negative | ||
| C18H23F7I2O4_689.9572_4.963 | 1.57E-05 | 0.568 (0.314 – 0.822) | 0.173 | 0.358 (−0.145 – 0.86) | Positive | ||
| C21H45F2N10O6_571.349_5.253 | 1.66E-05 | −0.876 (−1.268 – −0.483) | 0.089 | −0.552 (−1.168 – 0.063) | Negative | ||
| C13H23BrF2N4O4_416.0877_4.048 | 2.17E-05 | −0.533 (−0.775 – −0.29) | 4.58E-04 | −1.565 (−2.344 – −0.785) | Negative | ||
| C18H31ClN3O_340.2143_9.187 | 2.20E-05 | −0.523 (−0.76 – −0.285) | 0.867 | −0.103 (−1.294 – 1.088) | 14,19-Dihydroaspidospermatine, Ethanol, 2,2'-((4-((2-(diethylamino)ethyl)amino)-3-nitrophenyl)imino)bis- | Alkaloid, metabolite | Negative |
| unknown_1177.3161_4.938 | 2.76E-05 | 0.486 (0.262 – 0.71) | 0.018 | 0.871 (0.188 – 1.553) | Positive | ||
| unknown_942.2446_4.916 | 2.98E-05 | 0.469 (0.252 – 0.686) | 0.067 | 0.556 (−0.017 – 1.128) | |||
| unknown_256.0943_3.946 | 3.01E-05 | −0.554 (−0.81 – −0.297) | 2.67E-04 | −1.264 (−1.863 – −0.664) | Aryl beta-D-glucoside, Phenylgalactoside, Phenyl beta-D-glucopyranoside | Negative | |
| C11H22O3_202.157_4.919 | 3.63E-05 | −0.741 (−1.089 – −0.394) | 0.009 | −1.508 (−2.574 – −0.442) | omega-hydroxy hendecanoic acid, Undecanoic acid, 3-hydroxy-, (S)-, 10-hydroxy-undecanoic acid,4-hydroxy-undecanoic acid, 3-hydroxy-undecanoic acid, 2-hydroxy-undecanoic acid | Undecanoic acid: medium-chain fatty acid found in body fluids, human metabolite and antifungal | Negative |
| unknown_809.3788_4.945 | 3.69E-05 | 0.401 (0.213 – 0.589) | 0.152 | 0.429 (−0.144 – 1.003) | Positive | ||
| unknown_856.677_4.923 | 4.49E-05 | 0.54 (0.284 – 0.796) | 0.896 | −0.047 (−0.74 – 0.647) | PC(19:0/22:2(13Z,16Z)), PC(19:1(9Z)/22:1(11Z)), PC(20:2(11Z,14Z)/21:0), PC(21:0/20:2(11Z,14Z)), PC(22:2(13Z,16Z)/19:0), PC(22:1(11Z)/19:1(9Z)) | Positive | |
| unknown_236.1779_6.127 | 5.03E-05 | −0.573 (−0.847 – −0.3) | 0.023 | −1.156 (−2.1 – −0.213) | Farnesoic acid, Helminthosporol, Sirenin, Kikkanol B, Hernandulcin, Cyperolone, Lubimin, Capnell-9(12)-ene-8beta,10alpha-diol, Curdione, capsidiol, Latia luciferin, (−)-Kanshone A, 4E,7Z,10Z-Tridecatrienyl acetate, 3,7-Epoxycaryophyllan-6-One | Negative | |
| unknown_263.9623_0.695 | 5.73E-05 | −0.378 (−0.56 – −0.196) | 0.127 | −0.552 (−1.24 – 0.137) | Negative | ||
| C12H24O2_200.1782_6.629 | 6.37E-05 | −1.265 (−1.878 – −0.653) | 0.026 | −2.147 (−3.939 – −0.356) | Lauric acid, Isolauric acid, 9-Methyl-undecanoic acid, 8-Methyl-undecanoic acid, 4-Methyl-undecanoic acid, 5-Methyl-undecanoic acid, 2-Methyl-undecanoic acid, 3-Methyl-undecanoic acid, 6-Methyl-undecanoic acid | Lauric acid: Fatty acid, esters of which occur in natural substances. Is main use in manufacturing is as an ingredient in soaps and shampoos | Negative |
| unknown_601.3379_6.082 | 7.23E-05 | −0.954 (−1.419 – −0.489) | 0.001 | −2.13 (−3.292 – −0.968) | Negative | ||
| unknown_571.3493_5.32 | 7.33E-05 | 0.837 (0.428 – 1.246) | 0.008 | 1.937 (0.613 – 3.26) | Positive | ||
| unknown_322.1087_5.022 | 7.75E-05 | 0.549 (0.28 – 0.817) | 0.095 | 0.906 (−0.125 – 1.937) | Positive | ||
| unknown_775.9798_0.636 | 9.46E-05 | 0.531 (0.267 – 0.794) | 0.153 | 0.399 (−0.135 – 0.933) | Positive | ||
| C10H18F6I2N9_631.9678_5.045 | 0.00011072 | 0.47 (0.234 – 0.705) | 0.963 | 0.016 (−0.675 – 0.708) | Positive | ||
| C22H41FN2O9_496.28_6.664 | 0.00011634 | −0.59 (−0.887 – −0.294) | 4.08E-04 | −1.996 (−2.979 – −1.012) | Negative | ||
| C13H11F15O2_484.052_0.658 | 0.00012121 | −0.378 (−0.568 – −0.187) | 0.701 | 0.11 (−0.445 – 0.665) | Negative | ||
*
Coefficient is the mean difference between cases and controls, adjusted for covariates.