LKA
Summary
| Name: | 5-thio-alpha-D-mannopyranosylamine |
| Synonyms: | 5-THIO-A/B-D-MANNOPYRANOSYLAMINE 5-thio-alpha-D-mannosylamine; 5-thio-D-mannosylamine; 5-thio-mannosylamine |
| Formula: | C6 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 195.237 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-thio-alpha-D-mannopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | (2S,3S,4S,5S,6R)-2-amino-6-(hydroxymethyl)thiane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(O)C(SC(N)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H]1S[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | N[CH]1S[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](S1)N)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(S1)N)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO4S/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2-,3-,4+,5+,6+/m1/s1 |
| InChIKey | InChI | 1.03 | FGVRMLQUWLZGLJ-PQMKYFCFSA-N |
