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CHEBI:79029 - icas#10
| Formula | C24H33NO7 |
| Net Charge | 0 |
| Average Mass | 447.528 |
| Monoisotopic Mass | 447.22570 |
| SMILES | C[C@H](CCCCCCC(=O)O)O[C@@H]1O[C@@H](C)[C@H](OC(=O)c2cnc3ccccc23)C[C@H]1O |
| InChI | InChI=1S/C24H33NO7/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/h7-8,10-11,14-16,20-21,24-26H,3-6,9,12-13H2,1-2H3,(H,27,28)/t15-,16+,20-,21-,24-/m1/s1 |
| InChIKey | VGNCAEIQHDZOLI-JTCUFRKPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Caenorhabditis elegans (ncbitaxon:6239) | - | PubMed (22239548) | Detected in dhs-28(hj8), maoc-1(hj13), and acox-1(ok2257) 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#10 (CHEBI:79029) has functional parent (8R)-8-hydroxynonanoic acid (CHEBI:78839) |
| icas#10 (CHEBI:79029) has functional parent ascr#10 (CHEBI:78838) |
| icas#10 (CHEBI:79029) has role Caenorhabditis elegans metabolite (CHEBI:78804) |
| icas#10 (CHEBI:79029) is a (ω−1)-hydroxy fatty acid ascaroside (CHEBI:79205) |
| icas#10 (CHEBI:79029) is a 4-O-(1H-indol-3-ylcarbonyl)ascaroside (CHEBI:79024) |
| icas#10 (CHEBI:79029) is a monocarboxylic acid (CHEBI:25384) |
| icas#10 (CHEBI:79029) is conjugate acid of icas#10(1−) (CHEBI:140801) |
| Incoming Relation(s) |
| ibha#10 (CHEBI:79334) has functional parent icas#10 (CHEBI:79029) |
| icas#10(1−) (CHEBI:140801) is conjugate base of icas#10 (CHEBI:79029) |
| IUPAC Name |
|---|
| (8R)-8-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}nonanoic acid |
| Synonyms | Source |
|---|---|
| 8R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-nonanoic acid | SMID |
| IC-asc-C9 | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| icas%2310%0D | SMID |
| LMFA13040125 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:22233455 | Reaxys |
| CAS:1355681-30-9 | SMID |
| Citations |
|---|