FSA
Summary
| Name: | 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose |
| Synonyms: | 1-S-(carboxymethyl)-1-thio-beta-D-fructose 1-S-(carboxymethyl)-1-thio-D-fructose; 1-S-(carboxymethyl)-1-thio-fructose |
| Formula: | C8 H14 O7 S |
| Formal charge: | 0 |
| Formula weight: | 254.258 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose |
| OpenEye OEToolkits | 1.5.0 | 2-[[(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylsulfanyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CSCC1(O)OCC(O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1CO[C@](O)(CSCC(O)=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | O[CH]1CO[C](O)(CSCC(O)=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]([C@H]([C@@H]([C@](O1)(CSCC(=O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(C(O1)(CSCC(=O)O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H14O7S/c9-4-1-15-8(14,7(13)6(4)12)3-16-2-5(10)11/h4,6-7,9,12-14H,1-3H2,(H,10,11)/t4-,6-,7+,8-/m1/s1 |
| InChIKey | InChI | 1.03 | UORIXTGMSRMKDZ-CCXZUQQUSA-N |
