| PDB CCD ID: | PTQ |
| Number of entries in BioLiP: | 13 |
| Chemical formula: | C14 H20 O5 S |
| InChI: | InChI=1S/C14H20O5S/c15-8-10-11(16)12(17)13(18)14(19-10)20-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14+/m1/s1 |
| InChIKey: | ZNAMMSOYKPMPGC-HTOAHKCRSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | OC[C@H]1O[C@@H](SCCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O | | OpenEye OEToolkits 1.7.0 | c1ccc(cc1)CCSC2C(C(C(C(O2)CO)O)O)O | | CACTVS 3.370 | OC[CH]1O[CH](SCCc2ccccc2)[CH](O)[CH](O)[CH]1O | | OpenEye OEToolkits 1.7.0 | c1ccc(cc1)CCS[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O | | ACDLabs 12.01 | S(CCc1ccccc1)C2OC(C(O)C(O)C2O)CO |
|
| Name: | 2-phenylethyl 1-thio-beta-D-galactopyranoside;
2-Phenylethyl beta-D-thiogalactoside, PETG |
| ZINC: | ZINC000004282257 |
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