PSH
Summary
| Name: | 1-thiophosphono-L-histidine |
| Formula: | C6 H10 N3 O4 P S |
| Formal charge: | 0 |
| Formula weight: | 251.2 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-thiophosphono-L-histidine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-[1-(hydroxy-sulfanyl-phosphoryl)imidazol-4-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc1ncn(c1)P(=O)(S)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1cn(cn1)[P@@](O)(S)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1cn(cn1)[P](O)(S)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(ncn1[P@@](=O)(O)S)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(ncn1P(=O)(O)S)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H10N3O4PS/c7-5(6(10)11)1-4-2-9(3-8-4)14(12,13)15/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,15)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | CGXKMFUQMXYWIF-YFKPBYRVSA-N |
