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CHEBI:78957 - ascr#19
| Formula | C18H32O6 |
| Net Charge | 0 |
| Average Mass | 344.448 |
| Monoisotopic Mass | 344.21989 |
| SMILES | C[C@H](CCCCCCC/C=C/C(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O |
| InChI | InChI=1S/C18H32O6/c1-13(23-18-16(20)12-15(19)14(2)24-18)10-8-6-4-3-5-7-9-11-17(21)22/h9,11,13-16,18-20H,3-8,10,12H2,1-2H3,(H,21,22)/b11-9+/t13-,14+,15-,16-,18-/m1/s1 |
| InChIKey | KSEGTUNZXFPMMN-RSADRIIDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Caenorhabditis elegans (ncbitaxon:6239) | - | PubMed (22239548) | Detected in wild type (N2) and dhs-28(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) |
| ascr#19 (CHEBI:78957) has functional parent (2E,11R)-11-hydroxydodec-2-enoic acid (CHEBI:78977) |
| ascr#19 (CHEBI:78957) has role Caenorhabditis elegans metabolite (CHEBI:78804) |
| ascr#19 (CHEBI:78957) is a (ω−1)-hydroxy fatty acid ascaroside (CHEBI:79205) |
| ascr#19 (CHEBI:78957) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| ascr#19 (CHEBI:78957) is conjugate acid of ascr#19(1-) (CHEBI:139642) |
| Incoming Relation(s) |
| icas#19 (CHEBI:79106) has functional parent ascr#19 (CHEBI:78957) |
| ascr#19(1-) (CHEBI:139642) is conjugate base of ascr#19 (CHEBI:78957) |
| IUPAC Name |
|---|
| (2E,11R)-11-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]dodec-2-enoic acid |
| Synonym | Source |
|---|---|
| 11R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-dodecenoic acid | SMID |
| Manual Xrefs | Databases |
|---|---|
| ascr%2319%0D | SMID |
| Registry Numbers | Sources |
|---|---|
| Reaxys:22233410 | Reaxys |
| CAS:1355681-55-8 | SMID |
| Citations |
|---|