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CHEBI:84457 - 5-PAHSA
| Formula | C34H66O4 |
| Net Charge | 0 |
| Average Mass | 538.898 |
| Monoisotopic Mass | 538.49611 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(=O)O |
| InChI | InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31-34(37)38-32(29-27-30-33(35)36)28-25-23-21-19-17-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H,35,36) |
| InChIKey | QBGKCWKQYJQHJX-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| Applications: | hypoglycemic agent A drug which lowers the blood glucose level. anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-PAHSA (CHEBI:84457) has functional parent hexadecanoic acid (CHEBI:15756) |
| 5-PAHSA (CHEBI:84457) has functional parent octadecanoic acid (CHEBI:28842) |
| 5-PAHSA (CHEBI:84457) has role anti-inflammatory agent (CHEBI:67079) |
| 5-PAHSA (CHEBI:84457) has role human metabolite (CHEBI:77746) |
| 5-PAHSA (CHEBI:84457) has role hypoglycemic agent (CHEBI:35526) |
| 5-PAHSA (CHEBI:84457) is a FAHFA (CHEBI:84426) |
| 5-PAHSA (CHEBI:84457) is a long-chain fatty acid (CHEBI:15904) |
| 5-PAHSA (CHEBI:84457) is conjugate acid of 5-PAHSA(1−) (CHEBI:83672) |
| Incoming Relation(s) |
| 5-PAHSA(1−) (CHEBI:83672) is conjugate base of 5-PAHSA (CHEBI:84457) |
| IUPAC Name |
|---|
| 5-(hexadecanoyloxy)octadecanoic acid |
| Synonyms | Source |
|---|---|
| palmitic acid-5-hydroxystearic acid | ChEBI |
| 5-(palmitoyloxy)stearic acid | ChEBI |
| 5-(palmitoyloxy)octadecanoic acid | IUPAC |
| Citations |
|---|