WormBase Tree Display for Molecule: WBMol:00005268
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WBMol:00005268 | Public_name | icas#3 | ||||
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Monoisotopic_mass | 445.21 | |||||
IUPAC | (2E,8R)-8-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}non-2-enoic acid | |||||
SMILES | C[C@H](CCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12 | |||||
InChi | InChI=1S/C24H31NO7/c1-15(9-5-3-4-6-12-22(27)28)30-24-20(26)13-21(16(2)31-24)32-23(29)18-14-25-19-11-8-7-10-17(18)19/h6-8,10-12,14-16,20-21,24-26H,3-5,9,13H2,1-2H3,(H,27,28)/b12-6+/t15-,16+,20-,21-,24-/m1/s1 | |||||
InChiKey | MHHAGCKXSLPDOU-SUOYGWGXSA-N | |||||
Synonym | 8R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-nonenoic acid | |||||
DB_info | Database | ChEBI | CHEBI_ID | 79052 | ||
ChemIDplus | RN | 1355681-39-8 | ||||
SMID-DB | icas#3 | |||||
Status | Detected | Paper_evidence | WBPaper00040624 | |||
WBPaper00041161 | ||||||
Detection_method | LC-MS | Paper_evidence | WBPaper00040624 | |||
NMR | Paper_evidence | WBPaper00041161 | ||||
Extraction_method | EtOH | Paper_evidence | WBPaper00040624 | |||
WBPaper00041161 | ||||||
Endogenous_in | Caenorhabditis elegans | |||||
Biofunction_role | Metabolite | Paper_evidence | WBPaper00040624 | |||
WBPaper00041161 | ||||||
Affects_phenotype_of | Variation | WBVar00000046 | WBPhenotype:0002405 | Paper_evidence | WBPaper00040651 | |
Curator_confirmed | WBPerson2987 | |||||
WBVar00088593 | WBPhenotype:0002405 | Paper_evidence | WBPaper00040651 | |||
Curator_confirmed | WBPerson2987 | |||||
WBVar00091977 | WBPhenotype:0002405 | Paper_evidence | WBPaper00040651 | |||
Curator_confirmed | WBPerson2987 | |||||
Reference | WBPaper00038769 | |||||
WBPaper00040651 | ||||||
WBPaper00040624 | ||||||
WBPaper00041161 |