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CHEBI:84425 - 9-PAHSA
| Formula | C34H66O4 |
| Net Charge | 0 |
| Average Mass | 538.898 |
| Monoisotopic Mass | 538.49611 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)O |
| InChI | InChI=1S/C34H66O4/c1-3-5-7-9-11-12-13-14-15-16-18-23-27-31-34(37)38-32(28-24-20-17-10-8-6-4-2)29-25-21-19-22-26-30-33(35)36/h32H,3-31H2,1-2H3,(H,35,36) |
| InChIKey | MHQWHZLXDBVXML-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) |
| 9-PAHSA (CHEBI:84425) has functional parent hexadecanoic acid (CHEBI:15756) |
| 9-PAHSA (CHEBI:84425) has functional parent octadecanoic acid (CHEBI:28842) |
| 9-PAHSA (CHEBI:84425) has role anti-inflammatory agent (CHEBI:67079) |
| 9-PAHSA (CHEBI:84425) has role human metabolite (CHEBI:77746) |
| 9-PAHSA (CHEBI:84425) has role hypoglycemic agent (CHEBI:35526) |
| 9-PAHSA (CHEBI:84425) is a FAHFA (CHEBI:84426) |
| 9-PAHSA (CHEBI:84425) is a long-chain fatty acid (CHEBI:15904) |
| 9-PAHSA (CHEBI:84425) is conjugate acid of 9-PAHSA(1−) (CHEBI:83670) |
| Incoming Relation(s) |
| 9-PAHSA(1−) (CHEBI:83670) is conjugate base of 9-PAHSA (CHEBI:84425) |
| IUPAC Name |
|---|
| 9-(hexadecanoyloxy)octadecanoic acid |
| Synonyms | Source |
|---|---|
| palmitic acid-9-hydroxystearic acid | ChEBI |
| 9-(palmitoyloxy)stearic acid | ChEBI |
| 9-(palmitoyloxy)octadecanoic acid | IUPAC |
| Registry Numbers | Sources |
|---|---|
| Reaxys:24107491 | Reaxys |
| Citations |
|---|