PRD_900106
Summary
| Name: | 6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose |
| Formula: | C12 H22 O10 S |
| Fomular weight: | 358.362 |
| Component type: | saccharide |
| Polymer sequences: | Z4Y, MAN |
| Non-polymer components: | |
| BIRD class: | Substrate analog |
| Represented as: | branched |
| Description: | oligosaccharide with S-glycosidic bond between monosaccharides |
| Program | Version | Name |
| ACDLabs | 12.01 | 6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S},4~{S},5~{S},6~{S})-6-[[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sul fanylmethyl]oxane-2,3,4,5-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(OC(C(C(C1O)O)O)CO)SCC2C(C(C(C(O2)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H22O10S/c13-1-3-5(14)8(17)10(19)12(22-3)23-2-4-6(15)7(16)9(18)11(20)21-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+ ,10+,11+,12-/m1/s1 |
| InChIKey | InChI | 1.03 | KLUQTOWGMHJQAC-LBGGPIGOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](SC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](SC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)SC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)SCC2C(C(C(C(O2)O)O)O)O)O)O)O)O |
