YTH
Summary
| Name: | O-phosphono-L-allothreonine |
| Formula: | C4 H10 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 199.099 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | O-phosphono-L-allothreonine |
| OpenEye OEToolkits | 1.9.2 | (2S,3S)-2-azanyl-3-phosphonooxy-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OC(C)C(N)C(=O)O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3-/m0/s1 |
| InChIKey | InChI | 1.03 | USRGIUJOYOXOQJ-HRFVKAFMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O[P](O)(O)=O)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](O[P](O)(O)=O)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H]([C@@H](C(=O)O)N)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C(C(=O)O)N)OP(=O)(O)O |
