PTH
Summary
| Name: | CE1-METHYLENE-HYDROXY-PHOSPHOTYROSINE |
| Formula: | C10 H14 N O7 P |
| Formal charge: | 0 |
| Formula weight: | 291.194 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(hydroxymethyl)-O-phosphono-L-tyrosine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-[3-(hydroxymethyl)-4-phosphonooxy-phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(Oc1ccc(cc1CO)CC(C(=O)O)N)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccc(O[P](O)(O)=O)c(CO)c1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1ccc(O[P](O)(O)=O)c(CO)c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C[C@@H](C(=O)O)N)CO)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1CC(C(=O)O)N)CO)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H14NO7P/c11-8(10(13)14)4-6-1-2-9(7(3-6)5-12)18-19(15,16)17/h1-3,8,12H,4-5,11H2,(H,13,14)(H2,15,16,17)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | QPZIXFGNLVEBKM-QMMMGPOBSA-N |
