PRD_002590
Summary
| Name: | methyl 6-fluoro-N-acetyllactosaminide |
| Formula: | C15 H26 F N O10 |
| Fomular weight: | 399.366 |
| Component type: | saccharide |
| Polymer sequences: | A1I0L, GAL |
| Non-polymer components: | |
| BIRD class: | Glycan component |
| Represented as: | branched |
| Description: | fluorinated analogue of methyl N-acetyllactosaminide |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{S})-6-(fluoranylmethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methoxy-4-oxidanyl-oxan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1O[C@H](CF)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O |
| SMILES | CACTVS | 3.385 | CO[CH]1O[CH](CF)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1NC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CF)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1C(C(C(OC1OC)CF)OC2C(C(C(C(O2)CO)O)O)O)O |
