G0S
Summary
| Name: | 3-(beta-D-galactopyranosylthio)propanoic acid |
| Synonyms: | 3-(beta-D-galactosylthio)propanoic acid 3-(D-galactosylthio)propanoic acid; 3-(galactosylthio)propanoic acid |
| Formula: | C9 H16 O7 S |
| Formal charge: | 0 |
| Formula weight: | 268.284 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(beta-D-galactopyranosylthio)propanoic acid |
| OpenEye OEToolkits | 1.9.2 | 3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylpropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCSC1OC(C(O)C(O)C1O)CO |
| InChI | InChI | 1.03 | InChI=1S/C9H16O7S/c10-3-4-6(13)7(14)8(15)9(16-4)17-2-1-5(11)12/h4,6-10,13-15H,1-3H2,(H,11,12)/t4-,6+,7+,8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | XMQYQVUZHDCFEM-MRCFXUCSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](SCCC(O)=O)[C@H](O)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](SCCC(O)=O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CSC1C(C(C(C(O1)CO)O)O)O)C(=O)O |
