PTR
Summary
| Name: | O-PHOSPHOTYROSINE |
| Synonyms: | PHOSPHONOTYROSINE |
| Formula: | C9 H12 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 261.168 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | O-phosphono-L-tyrosine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | DCWXELXMIBXGTH-QMMMGPOBSA-N |
