A1EJ0
Summary
| Name: | N-Acetylglucosamine |
| Formula: | C8 H15 N O6 |
| Formal charge: | 0 |
| Formula weight: | 221.208 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{R},3~{R},4~{S},5~{R})-3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1 |
| InChIKey | InChI | 1.06 | MBLBDJOUHNCFQT-LXGUWJNJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC(C=O)C(C(C(CO)O)O)O |
