| PDB CCD ID: | KUQ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H18 N2 O5 |
| InChI: | InChI=1S/C15H18N2O5/c18-7-10-11(19)12(20)13(21)14(22-10)9-6-16-15(17-9)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2,(H,16,17)/t10-,11-,12+,13-,14+/m1/s1 |
| InChIKey: | HSTOUPNMEGVFOM-RGDJUOJXSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc(cc1)c2[nH]cc(n2)C3C(C(C(C(O3)CO)O)O)O | | CACTVS 3.385 | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c[nH]c(n2)c3ccccc3 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)c2[nH]cc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | | CACTVS 3.385 | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c[nH]c(n2)c3ccccc3 |
|
| Name: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol |
| ChEMBL: | CHEMBL4638064 |
zhanggroup.org