WormBase Tree Display for Molecule: WBMol:00005262
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WBMol:00005262 | Public_name | ibho#18 | |||
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Monoisotopic_mass | 491.252 | ||||
IUPAC | (3R)-11-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}-3-hydroxyundecanoic acid | ||||
SMILES | C[C@@H]1O[C@@H](OCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 | ||||
InChi | InChI=1S/C26H37NO8/c1-17-23(35-25(32)20-16-27-21-12-8-7-11-19(20)21)15-22(29)26(34-17)33-13-9-5-3-2-4-6-10-18(28)14-24(30)31/h7-8,11-12,16-18,22-23,26-29H,2-6,9-10,13-15H2,1H3,(H,30,31)/t17-,18+,22+,23+,26+/m0/s1 | ||||
InChiKey | KNUQGRSJUADXIR-SIHSWOPCSA-N | ||||
Synonym | 3R-hydroxy-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 | 79372 | |
SMID-DB | ibho#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 |