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CHEBI:79132 - oscr#7
| Formula | C13H22O6 |
| Net Charge | 0 |
| Average Mass | 274.313 |
| Monoisotopic Mass | 274.14164 |
| SMILES | C[C@@H]1O[C@@H](OCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O |
| InChI | InChI=1S/C13H22O6/c1-9-10(14)8-11(15)13(19-9)18-7-5-3-2-4-6-12(16)17/h4,6,9-11,13-15H,2-3,5,7-8H2,1H3,(H,16,17)/b6-4+/t9-,10+,11+,13+/m0/s1 |
| InChIKey | PECXANWMSPKDGB-XROMHLQASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Caenorhabditis elegans (ncbitaxon:6239) | - | PubMed (22239548) |
| 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) |
| oscr#7 (CHEBI:79132) has functional parent (2E)-7-hydroxyhept-2-enoic acid (CHEBI:79161) |
| oscr#7 (CHEBI:79132) has role Caenorhabditis elegans metabolite (CHEBI:78804) |
| oscr#7 (CHEBI:79132) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| oscr#7 (CHEBI:79132) is a ω-hydroxy fatty acid ascaroside (CHEBI:79204) |
| oscr#7 (CHEBI:79132) is conjugate acid of oscr#7(1−) (CHEBI:140055) |
| Incoming Relation(s) |
| oscr#7-CoA (CHEBI:140056) has functional parent oscr#7 (CHEBI:79132) |
| oscr#7(1−) (CHEBI:140055) is conjugate base of oscr#7 (CHEBI:79132) |
| IUPAC Name |
|---|
| (2E)-7-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hept-2-enoic acid |
| Synonym | Source |
|---|---|
| 7-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-heptenoic acid | SMID |
| Manual Xrefs | Databases |
|---|---|
| oscr%237 | SMID |
| Registry Numbers | Sources |
|---|---|
| Reaxys:22233388 | Reaxys |
| CAS:1355681-95-6 | SMID |
| Citations |
|---|