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CHEBI:132583 - monooctyl phthalate
| Formula | C16H22O4 |
| Net Charge | 0 |
| Average Mass | 278.348 |
| Monoisotopic Mass | 278.15181 |
| SMILES | CCCCCCCCOC(=O)c1ccccc1C(=O)O |
| InChI | InChI=1S/C16H22O4/c1-2-3-4-5-6-9-12-20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18) |
| InChIKey | PKIYFBICNICNGJ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (25496010) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| Application: | endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| monooctyl phthalate (CHEBI:132583) has functional parent octan-1-ol (CHEBI:16188) |
| monooctyl phthalate (CHEBI:132583) has role human xenobiotic metabolite (CHEBI:76967) |
| monooctyl phthalate (CHEBI:132583) is a phthalic acid monoester (CHEBI:132610) |
| Synonyms | Source |
|---|---|
| mono-n-octyl phthalate | ChEBI |
| Phthalic acid, monooctyl ester | ChemIDplus |
| Hydrogen octyl phthalate | ChemIDplus |
| 1,2-Benzenedicarboxylic acid, monooctyl ester | ChemIDplus |
| Phthalic acid, octyl ester | ChemIDplus |
| Octyl hydrogen phthalate | ChemIDplus |
| Citations |
|---|