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CHEBI:79270 - bhos#40
| Formula | C28H54O7 |
| Net Charge | 0 |
| Average Mass | 502.733 |
| Monoisotopic Mass | 502.38695 |
| SMILES | C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O |
| InChI | InChI=1S/C28H54O7/c1-23-25(30)22-26(31)28(35-23)34-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-24(29)21-27(32)33/h23-26,28-31H,2-22H2,1H3,(H,32,33)/t23-,24+,25+,26+,28+/m0/s1 |
| InChIKey | JFATZVZKPLWHAI-HWRPZNHGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Caenorhabditis elegans (ncbitaxon:6239) | - | PubMed (22239548) | Detected in dhs-28(hj8), daf-22(ok693), 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) |
| bhos#40 (CHEBI:79270) has functional parent (3R)-3,22-dihydroxybehenic acid (CHEBI:79298) |
| bhos#40 (CHEBI:79270) has role Caenorhabditis elegans metabolite (CHEBI:78804) |
| bhos#40 (CHEBI:79270) is a 3-hydroxy carboxylic acid (CHEBI:61355) |
| bhos#40 (CHEBI:79270) is a monocarboxylic acid (CHEBI:25384) |
| bhos#40 (CHEBI:79270) is a ω-hydroxy fatty acid ascaroside (CHEBI:79204) |
| IUPAC Name |
|---|
| (3R)-22-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-3-hydroxydocosanoic acid |
| Synonym | Source |
|---|---|
| 3R-hydroxy-22-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-docosanoic acid | SMID |
| Manual Xrefs | Databases |
|---|---|
| bhos%2340 | SMID |
| Citations |
|---|