WormBase Tree Display for Molecule: WBMol:00005129
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| WBMol:00005129 | Public_name | icas#12 | |||
|---|---|---|---|---|---|
| Monoisotopic_mass | 405.179 | ||||
| IUPAC | (5R)-5-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}hexanoic acid | ||||
| SMILES | C[C@H](CCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12 | ||||
| InChi | InChI=1S/C21H27NO7/c1-12(6-5-9-19(24)25)27-21-17(23)10-18(13(2)28-21)29-20(26)15-11-22-16-8-4-3-7-14(15)16/h3-4,7-8,11-13,17-18,21-23H,5-6,9-10H2,1-2H3,(H,24,25)/t12-,13+,17-,18-,21-/m1/s1 | ||||
| InChiKey | AHNZPQNYGMNACV-PNNYZDKCSA-N | ||||
| Synonym | 5R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-hexanoic acid | ||||
| DB_info | Database | ChEBI | CHEBI_ID | 79060 | |
| SMID-DB | icas#12 | ||||
| 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 |
