GN1
Summary
| Name: | 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose |
| Synonyms: | 2-(ACETYLAMINO)-2-DEOXY-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE N-ACETYL-D-GLUCOSAMINE-1-PHOSPHATE; N-acetyl-1-O-phosphono-alpha-D-glucosamine; 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucose; 2-acetamido-2-deoxy-1-O-phosphono-D-glucose; 2-acetamido-2-deoxy-1-O-phosphono-glucose |
| Formula: | C8 H16 N O9 P |
| Formal charge: | 0 |
| Formula weight: | 301.188 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(acetylamino)-2-deoxy-1-O-phosphono-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate |
| PDB-CARE | 1.0 | a-D-Glcp1PO3NAc |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | FZLJPEPAYPUMMR-FMDGEEDCSA-N |
