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CHEBI:79105 - icas#18
| Formula | C26H37NO7 |
| Net Charge | 0 |
| Average Mass | 475.582 |
| Monoisotopic Mass | 475.25700 |
| SMILES | C[C@H](CCCCCCCCC(=O)O)O[C@@H]1O[C@@H](C)[C@H](OC(=O)c2cnc3ccccc23)C[C@H]1O |
| InChI | InChI=1S/C26H37NO7/c1-17(11-7-5-3-4-6-8-14-24(29)30)32-26-22(28)15-23(18(2)33-26)34-25(31)20-16-27-21-13-10-9-12-19(20)21/h9-10,12-13,16-18,22-23,26-28H,3-8,11,14-15H2,1-2H3,(H,29,30)/t17-,18+,22-,23-,26-/m1/s1 |
| InChIKey | DSMPUNNKYCFRLT-RBYKYKMOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Caenorhabditis elegans (ncbitaxon:6239) | - | PubMed (22239548) | Detected in dhs28(hj8), acox-1(ok2257), and maoc-1(hj13) mutant worms. |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | Caenorhabditis elegans metabolite A nematode metabolite produced by Caenorhabditis elegans. semiochemical A molecular messenger released by an organism that affects the behaviour within or between species. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| icas#18 (CHEBI:79105) has functional parent (10R)-10-hydroxyundecanoic acid (CHEBI:78956) |
| icas#18 (CHEBI:79105) has functional parent ascr#18 (CHEBI:78955) |
| icas#18 (CHEBI:79105) has role Caenorhabditis elegans metabolite (CHEBI:78804) |
| icas#18 (CHEBI:79105) is a (ω−1)-hydroxy fatty acid ascaroside (CHEBI:79205) |
| icas#18 (CHEBI:79105) is a 4-O-(1H-indol-3-ylcarbonyl)ascaroside (CHEBI:79024) |
| icas#18 (CHEBI:79105) is a monocarboxylic acid (CHEBI:25384) |
| Incoming Relation(s) |
| ibha#18 (CHEBI:79354) has functional parent icas#18 (CHEBI:79105) |
| IUPAC Name |
|---|
| (10R)-10-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}undecanoic acid |
| Synonym | Source |
|---|---|
| 10R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-undecanoic acid | SMID |
| Manual Xrefs | Databases |
|---|---|
| icas%2318%0D | SMID |
| Registry Numbers | Sources |
|---|---|
| Reaxys:22233481 | Reaxys |
| CAS:1355683-05-4 | SMID |
| Citations |
|---|