WormBase Tree Display for Molecule: WBMol:00005253
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WBMol:00005253 | Public_name | ibha#20 | |||
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Monoisotopic_mass | 505.268 | ||||
IUPAC | (3R,11R)-11-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}-3-hydroxydodecanoic acid | ||||
SMILES | C[C@H](CCCCCCC[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/C27H39NO8/c1-17(10-6-4-3-5-7-11-19(29)14-25(31)32)34-27-23(30)15-24(18(2)35-27)36-26(33)21-16-28-22-13-9-8-12-20(21)22/h8-9,12-13,16-19,23-24,27-30H,3-7,10-11,14-15H2,1-2H3,(H,31,32)/t17-,18+,19-,23-,24-,27-/m1/s1 | ||||
InChiKey | GSHRJJXEZKTUHX-WGCTWHLSSA-N | ||||
Synonym | 3R-hydroxy-11R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-dodecanoic acid | ||||
DB_info | Database | ChEBI | CHEBI_ID | 79355 | |
SMID-DB | ibha#20 | ||||
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 |