O1B
Summary
| Name: | (2R,3R,4S)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate |
| Formula: | C7 H17 N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 288.192 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{R},4~{S})-5-(2-azanylethylamino)-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H17N2O8P/c8-1-2-9-7(13)6(12)5(11)4(10)3-17-18(14,15)16/h4-6,10-12H,1-3,8H2,(H,9,13)(H2,14,15,16)/t4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | FUFPHFARIIPLRI-PBXRRBTRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCNC(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | NCCNC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CNC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CNC(=O)C(C(C(COP(=O)(O)O)O)O)O)N |
