| Compound.Name | InChiKeys | Pubchem.ID | SMILES | pvalue | foldchange | CID | ClusterLabel | HasPathway | TreeLabels | FDR |
|---|---|---|---|---|---|---|---|---|---|---|
| SM (d42:2) B | DACOGJMBYLZYDH-GXJPFUDISA-N | 52931217 | CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCC/C=C\CCC)O | 1.3e-13 | 0.3 | 52931217 | Unsaturated SM | No | a | 5e-11 |
| N-Tetracosenoyl-4-sphingenyl-1-O-phosphorylcholine | WKZHECFHXLTOLJ-QYKFWSDSSA-N | 44260126 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O | 3.7e-13 | 0.27 | 44260126 | Unsaturated SM | Yes | a | 1.4e-10 |
| LPC (16:0) | ASWBNKHCZGQVJV-UHFFFAOYSA-N | 86554 | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O | 1.5e-12 | 0.36 | 86554 | Saturated LysoPC | No | b | 5.7e-10 |
| PC (18:1/16:0) | WTJKGGKOPKCXLL-VYOBOKEXSA-N | 5497103 | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC | 5.4e-12 | 0.37 | 5497103 | Unsaturated PC | Yes | c | 2.1e-9 |
| 1,5-anhydroglucitol | MPCAJMNYNOGXPB-SLPGGIOYSA-N | 64960 | C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O | 6.5e-12 | 0.064 | 64960 | Hexose | No | d | 2.5e-9 |
| fucose | SHZGCJCMOBCMKK-SXUWKVJYSA-N | 94270 | C[C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O | 3.2e-11 | 2.4 | 17106 | Hexose | Yes | d | 1.2e-8 |
| 3,6-anhydrogalactose | WZYRMLAWNVOIEX-BGPJRJDNSA-N | 441040 | C1[C@H]([C@@H]([C@H](O1)[C@@H](C=O)O)O)O | 1.5e-10 | 2 | 16069996 | Hexose | No | e | 5.7e-8 |
| PC (32:1) | QIBZFHLFHCIUOT-NPBIGWJUSA-N | 6443788 | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC | 2.3e-10 | 0.2 | 6443788 | Unsaturated PC | No | c | 8.7e-8 |
| glucose | WQZGKKKJIJFFOK-GASJEMHNSA-N | 107526 | C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O | 3.6e-10 | 1.8 | 107526 | Hexose | No | e | 1.4e-7 |
| SM (d18:2/23:0) | JBDGKEXQKCCQFK-JWQIMADESA-N | 52931209 | CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCC/C=C\CCC)O | 5.7e-10 | 0.27 | 52931209 | Unsaturated SM | No | a | 2.1e-7 |