EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C16H23NO5 |
| Net Charge | 0 |
| Average Mass | 309.362 |
| Monoisotopic Mass | 309.15762 |
| SMILES | CC(C)Oc1ccccc1OC(=O)NCCCCCC(=O)O |
| InChI | InChI=1S/C16H23NO5/c1-12(2)21-13-8-5-6-9-14(13)22-16(20)17-11-7-3-4-10-15(18)19/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,17,20)(H,18,19) |
| InChIKey | CACDVLHTAYWFTO-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | hapten Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PRNH (CHEBI:195436) has role hapten (CHEBI:59174) |
| PRNH (CHEBI:195436) is a aromatic ether (CHEBI:35618) |
| PRNH (CHEBI:195436) is a carbamate ester (CHEBI:23003) |
| PRNH (CHEBI:195436) is a monocarboxylic acid (CHEBI:25384) |
| IUPAC Name |
|---|
| 6-({[2-(propan-2-yloxy)phenoxy]carbonyl}amino)hexanoic acid |
| Synonym | Source |
|---|---|
| 6-[[(2-isopropoxyphenyloxy)carbonyl]amino]hexanoic acid | ChEBI |
| Citations |
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