WormBase Tree Display for Molecule: WBMol:00005266
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| WBMol:00005266 | Public_name | ibho#26 | |||
|---|---|---|---|---|---|
| Monoisotopic_mass | 547.315 | ||||
| IUPAC | (3R)-15-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}-3-hydroxypentadecanoic acid | ||||
| SMILES | C[C@@H]1O[C@@H](OCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 | ||||
| InChi | InChI=1S/C30H45NO8/c1-21-27(39-29(36)24-20-31-25-16-12-11-15-23(24)25)19-26(33)30(38-21)37-17-13-9-7-5-3-2-4-6-8-10-14-22(32)18-28(34)35/h11-12,15-16,20-22,26-27,30-33H,2-10,13-14,17-19H2,1H3,(H,34,35)/t21-,22+,26+,27+,30+/m0/s1 | ||||
| InChiKey | HVABDZVINXGTFF-PSEFKOPQSA-N | ||||
| Synonym | 3R-hydroxy-15-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-pentadecanoic acid | ||||
| DB_info | Database | ChEBI | CHEBI_ID | 79376 | |
| ChemIDplus | RN | 1355683-49-6 | |||
| SMID-DB | ibho#26 | ||||
| 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 |
