| PDB CCD ID: | Y9Y |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C12 H15 N O8 |
| InChI: | InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m0/s1 |
| InChIKey: | IFBHRQDFSNCLOZ-MTVMDMGHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O | | CACTVS 3.385 | OC[C@@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@@H](O)[C@H](O)[C@@H]1O | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O | | CACTVS 3.385 | OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O |
|
| Name: | paranitrophenyl-alpha-L-galactopyranoside;
(2~{S},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol |
| ZINC: | ZINC000000156947 |
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