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CHEBI:78743 - ascr#11
| Formula | C10H18O6 |
| Net Charge | 0 |
| Average Mass | 234.248 |
| Monoisotopic Mass | 234.11034 |
| SMILES | C[C@H](CC(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O |
| InChI | InChI=1S/C10H18O6/c1-5(3-9(13)14)15-10-8(12)4-7(11)6(2)16-10/h5-8,10-12H,3-4H2,1-2H3,(H,13,14)/t5-,6+,7-,8-,10-/m1/s1 |
| InChIKey | VQZVOFZWXBQLCG-MGPZHUSASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Caenorhabditis elegans (ncbitaxon:6239) | - | PubMed (22239548) | Detected in wild type (N2) worms, but absent in daf-22(ok693), 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#11 (CHEBI:78743) has functional parent (R)-3-hydroxybutyric acid (CHEBI:17066) |
| ascr#11 (CHEBI:78743) has role Caenorhabditis elegans metabolite (CHEBI:78804) |
| ascr#11 (CHEBI:78743) is a (ω−1)-hydroxy fatty acid ascaroside (CHEBI:79205) |
| ascr#11 (CHEBI:78743) is a monocarboxylic acid (CHEBI:25384) |
| ascr#11 (CHEBI:78743) is conjugate acid of ascr#11(1-) (CHEBI:139618) |
| Incoming Relation(s) |
| ascr#11(1-) (CHEBI:139618) is conjugate base of ascr#11 (CHEBI:78743) |
| IUPAC Name |
|---|
| (3R)-3-(3,6-dideoxy-β-L-arabino-hexopyranosyloxy)butanoic acid |
| Synonyms | Source |
|---|---|
| 3R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-butanoic acid | SMID |
| (3R)-3-{[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}butanoic acid | IUPAC |
| (3R)-3-(3,6-dideoxy-β-L-arabino-hexopyranosyloxy)butyric acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| ascr%2311%0D | SMID |
| Registry Numbers | Sources |
|---|---|
| Reaxys:22233380 | Reaxys |
| CAS:1355681-41-2 | SMID |
| Citations |
|---|