WormBase Tree Display for Molecule: WBMol:00005148
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| WBMol:00005148 | Public_name | icos#18 | |||
|---|---|---|---|---|---|
| Monoisotopic_mass | 475.257 | ||||
| IUPAC | 11-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}undecanoic acid | ||||
| SMILES | C[C@@H]1O[C@@H](OCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 | ||||
| InChi | InChI=1S/C26H37NO7/c1-18-23(34-25(31)20-17-27-21-13-10-9-12-19(20)21)16-22(28)26(33-18)32-15-11-7-5-3-2-4-6-8-14-24(29)30/h9-10,12-13,17-18,22-23,26-28H,2-8,11,14-16H2,1H3,(H,29,30)/t18-,22+,23+,26+/m0/s1 | ||||
| InChiKey | XUHBKQAFWINXBW-BXAZGIKQSA-N | ||||
| Synonym | 11-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-undecanoic acid | ||||
| DB_info | Database | ChEBI | CHEBI_ID | 79124 | |
| SMID-DB | icos#18 | ||||
| Status | Detected | Paper_evidence | WBPaper00040624 | ||
| Detection_method | LC-MS | Paper_evidence | WBPaper00040624 | ||
| Extraction_method | EtOH | Paper_evidence | WBPaper00040624 | ||
| Endogenous_in | Caenorhabditis elegans | ||||
| Biofunction_role | Metabolite | Paper_evidence | WBPaper00040624 | ||
| Reference | WBPaper00038769 | ||||
| WBPaper00040624 |
