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CHEBI:273574 - O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester
| Formula | C16H22NO5P |
| Net Charge | 0 |
| Average Mass | 339.328 |
| Monoisotopic Mass | 339.12356 |
| SMILES | [H][C@]12CC[C@]([H])([C@@H](C(=O)OC)[C@@H](OP(=O)(O)c3ccccc3)C1)N2C |
| InChI | InChI=1S/C16H22NO5P/c1-17-11-8-9-13(17)15(16(18)21-2)14(10-11)22-23(19,20)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3,(H,19,20)/t11-,13+,14-,15+/m0/s1 |
| InChIKey | WJTKWTJTOSZMKO-PMOUVXMZSA-N |
| Roles Classification |
|---|
| Biological Roles: | epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester (CHEBI:273574) has functional parent ecgonine methyl ester (CHEBI:31529) |
| O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester (CHEBI:273574) has role epitope (CHEBI:53000) |
| O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester (CHEBI:273574) is a methyl ester (CHEBI:25248) |
| O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester (CHEBI:273574) is a phosphonic ester (CHEBI:37735) |
| O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester (CHEBI:273574) is a tropane alkaloid (CHEBI:37332) |
| IUPAC Name |
|---|
| methyl (1R,2R,3S,5S)-3-{[hydroxy(phenyl)phosphoryl]oxy}-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Citations |
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