| PDB CCD ID: | HLA |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C9 H14 O7 |
| InChI: | InChI=1S/C9H14O7/c1-9(8(12)13)15-3-5-7(16-9)6(11)4(10)2-14-5/h4-7,10-11H,2-3H2,1H3,(H,12,13)/t4-,5+,6+,7-,9+/m0/s1 |
| InChIKey: | GZIKYMYHVAOMHR-SDBNBOCMSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@]1(OC[C@H]2OC[C@H](O)[C@@H](O)[C@H]2O1)C(O)=O | | CACTVS 3.385 | C[C]1(OC[CH]2OC[CH](O)[CH](O)[CH]2O1)C(O)=O | | OpenEye OEToolkits 2.0.6 | CC1(OCC2C(O1)C(C(CO2)O)O)C(=O)O | | OpenEye OEToolkits 2.0.6 | C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H](CO2)O)O)C(=O)O | | ACDLabs 12.01 | C12OC(C)(C(=O)O)OCC1OCC(C2O)O |
|
| Name: | 1,5-anhydro-4,6-O-[(1R)-1-carboxyethylidene]-D-galactitol |
zhanggroup.org