RFW
Summary
| Name: | N-acetyl-D-glucosamine-6-phosphate |
| Formula: | C8 H14 N O9 P |
| Formal charge: | -2 |
| Formula weight: | 299.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(acetylamino)-2-deoxy-6-O-phosphonato-D-glucose |
| OpenEye OEToolkits | 1.7.6 | [(2R,3S,4R,5R)-5-acetamido-2,3,4-tris(oxidanyl)-6-oxidanylidene-hexyl] phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-]P([O-])(=O)OCC(O)C(O)C(O)C(C=O)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C8H16NO9P/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h2,5-8,12-14H,3H2,1H3,(H,9,11)(H2,15,16,17)/p-2/t5-,6+,7+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | QDSLHWJDSQGPEE-LXGUWJNJSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[P]([O-])([O-])=O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO[P]([O-])([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NC(C=O)C(C(C(COP(=O)([O-])[O-])O)O)O |
