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CHEBI:43278 - (1S,2S,5S)-2-(4-glutaridylbenzyl)-5-phenylcyclohexan-1-ol
| Formula | C23H27NO4 |
| Net Charge | 0 |
| Average Mass | 381.472 |
| Monoisotopic Mass | 381.19401 |
| SMILES | O=C(O)CCCNC(=O)c1ccc([C@H]2CC[C@H](c3ccccc3)C[C@@H]2O)cc1 |
| InChI | InChI=1S/C23H27NO4/c25-21-15-19(16-5-2-1-3-6-16)12-13-20(21)17-8-10-18(11-9-17)23(28)24-14-4-7-22(26)27/h1-3,5-6,8-11,19-21,25H,4,7,12-15H2,(H,24,28)(H,26,27)/t19-,20+,21-/m0/s1 |
| InChIKey | OBWILOKKNDYPLX-HBMCJLEFSA-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) |
| (1S,2S,5S)-2-(4-glutaridylbenzyl)-5-phenylcyclohexan-1-ol (CHEBI:43278) has functional parent γ-aminobutyric acid (CHEBI:16865) |
| (1S,2S,5S)-2-(4-glutaridylbenzyl)-5-phenylcyclohexan-1-ol (CHEBI:43278) has role hapten (CHEBI:59174) |
| (1S,2S,5S)-2-(4-glutaridylbenzyl)-5-phenylcyclohexan-1-ol (CHEBI:43278) is a N-acyl-γ-aminobutyric acid (CHEBI:134018) |
| (1S,2S,5S)-2-(4-glutaridylbenzyl)-5-phenylcyclohexan-1-ol (CHEBI:43278) is a cyclohexanols (CHEBI:23480) |
| (1S,2S,5S)-2-(4-glutaridylbenzyl)-5-phenylcyclohexan-1-ol (CHEBI:43278) is a monocarboxylic acid (CHEBI:25384) |
| IUPAC Name |
|---|
| 4-{4-[(1R,2S,4S)-2-hydroxy-4-phenylcyclohexyl]benzamido}butanoic acid |
| Synonyms | Source |
|---|---|
| (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL | PDBeChem |
| 4-({4-[(1R,2S,4S)-2-hydroxy-4-phenylcyclohexyl]benzoyl}amino)butanoic acid | IUPAC |
| Citations |
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