MIR
Summary
| Name: | Monoethylphosphorylserine |
| Synonyms: | O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine |
| Formula: | C5 H12 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 213.126 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(ethoxy-hydroxy-phosphoryl)oxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OCC)(OCC(N)C(=O)O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCO[P@@](O)(=O)OC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | CCO[P](O)(=O)OC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCO[P@](=O)(O)OC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOP(=O)(O)OCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H12NO6P/c1-2-11-13(9,10)12-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | ULHXUTHSGPNKSO-BYPYZUCNSA-N |
