HSA
Summary
| Name: | PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER |
| Formula: | C6 H12 N3 O4 P |
| Formal charge: | 0 |
| Formula weight: | 221.151 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-3-(1H-imidazol-4-yl)propyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | [2-amino-3-(1H-imidazol-4-yl)propyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(N)Cc1ncnc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](CO[P](O)(O)=O)Cc1c[nH]cn1 |
| SMILES | CACTVS | 3.341 | N[CH](CO[P](O)(O)=O)Cc1c[nH]cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(nc[nH]1)CC(COP(=O)(O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(nc[nH]1)CC(COP(=O)(O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | CWNDERHTHMWBSI-YFKPBYRVSA-N |
