WormBase Tree Display for Molecule: WBMol:00005251
expand all nodes | collapse all nodes | view schema
| WBMol:00005251 | Public_name | ibha#16 | |||
|---|---|---|---|---|---|
| Monoisotopic_mass | 477.236 | ||||
| IUPAC | (3R,9R)-9-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}-3-hydroxydecanoic acid | ||||
| SMILES | C[C@H](CCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12 | ||||
| InChi | InChI=1S/C25H35NO8/c1-15(8-4-3-5-9-17(27)12-23(29)30)32-25-21(28)13-22(16(2)33-25)34-24(31)19-14-26-20-11-7-6-10-18(19)20/h6-7,10-11,14-17,21-22,25-28H,3-5,8-9,12-13H2,1-2H3,(H,29,30)/t15-,16+,17-,21-,22-,25-/m1/s1 | ||||
| InChiKey | KNTSMTUFIKIJQO-JUYTZFGZSA-N | ||||
| Synonym | 3R-hydroxy-9R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-decanoic acid | ||||
| DB_info | Database | ChEBI | CHEBI_ID | 79353 | |
| SMID-DB | ibha#16 | ||||
| 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 |
