Table 1.
Top 20 metabolites with the highest overall betweenness centrality from the poorly mapped area of human network. PubChem CIDs were obtained using the Chemical Translation Service (http://cts.fiehnlab.ucdavis.edu/) with the name as presented in the first column.
| Name (from Network) | PubChem CID | InChIKey |
|---|---|---|
| (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA(4-) | 15942889 | MNYDLIUNNOCPHG-FJWDCHQMSA-N |
| 12-oxo-c-LTB3 | 122164853 | ZFHPYBQKHVEFHO-LECUDPRGSA-N |
| 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate | 440460 | CNWPIIOQKZNXBB-SQZFNYHNSA-N |
| 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al | 193321 | XJZGNVBLVFOSKJ-XZULNKEGSA-N |
| 12-oxo-leukotriene B4 | 5280876 | SJVWVCVZWMJXOK-NOJHDUNKSA-N |
| 20-CoA-20-oxo-leukotriene B4 | 53481505 | WLWKYZHFLKRKEU-WCOJVGLOSA-J |
| 5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol | 439479 | USFJGINJGUIFSY-XZULNKEGSA-N |
| (4R,5S)-4,5,6-trihydroxy-2,3-dioxohexanoate | 440390 | GJQWCDSAOUMKSE-STHAYSLISA-N |
| 20-carboxy-leukotriene-B4 | 5280877 | SXWGPVJGNOLNHT-VFLUTPEKSA-N |
| 5beta-cholestane-3alpha,7alpha,12alpha-triol | 160520 | RIVQQZVHIVNQFH-XJZYBRFWSA-N |
| 3-oxo-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA | 131769900 | HPMVBGKWFWCZAY-JDTXFHFDSA-N |
| 6-pyruvoyl-5,6,7,8-tetrahydropterin | 128973 | WBJZXBUVECZHCE-UHFFFAOYSA-N |
| Hydroxymethylbilane | 788 | WDFJYRZCZIUBPR-UHFFFAOYSA-N |
| 5beta-cholestane-3alpha,7alpha,12alpha,25-tetrol | 160520 | RIVQQZVHIVNQFH-XJZYBRFWSA-N |
| 3(S)-hydroxy-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA | 53477712 | NTIXPPFPXLYJCT-OWOWEXKPSA-N |
| Uroporphyrinogen III | 1179 | HUHWZXWWOFSFKF-UHFFFAOYSA-N |
| 12-oxo-20-hydroxy-leukotriene B4 | 53481459 | CZWPUWRHQBAXJS-PABROBRYSA-N |
| 3-oxo-all-cis-6,9,12,15,18-tetracosapentaenoyl-CoA | 131769894 | UQPANOGFYCZRAV-UWOIJHEUSA-N |
| all-cis-10,13,16,19-docosatetraenoyl-CoA | 71627222 | BEEQBBPNTYBGDP-BUSXXEPMSA-J |
| kinetensin | 53481569 | PANUJGMSOSQAAY-HAGIGRARSA-N |