| PDB CCD ID: | GHA |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C9 H18 N O9 S |
| InChI: | InChI=1S/C9H21NO9S/c11-3-5-9(15)7(14)2-10(5)1-6(13)8(4-12)19-20(16,17)18/h5-9,11-18H,1-4H2/p-3/t5-,6-,7-,8?,9-/m1/s1 |
| InChIKey: | YWOSRVQDYDWMAB-JBXPSPKUSA-K |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | [O-]S([O-])([O-])OC(C(O)CN1C(C(O)C(O)C1)CO)CO | | OpenEye OEToolkits 1.5.0 | C1C([C@@H]([C@H]([N@@]1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O | | CACTVS 3.341 | OC[C@H](O[S]([O-])([O-])[O-])[C@H](O)CN1C[C@@H](O)[C@H](O)[C@H]1CO | | OpenEye OEToolkits 1.5.0 | C1C(C(C(N1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O | | CACTVS 3.341 | OC[CH](O[S]([O-])([O-])[O-])[CH](O)CN1C[CH](O)[CH](O)[CH]1CO |
|
| Name: | 1'-((1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL)-4-N-AMMONIUM)-1'-DEOXY-L-ERYTHRITOL-3'-SULFATE INNER SALT;
GHAVAMIOL |
| DrugBank: | DB02492 |
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