| PDB CCD ID: | L9D |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C7 H13 N O6 |
| InChI: | InChI=1S/C7H13NO6/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h1-6,9-12H,8H2,(H,13,14)/t1-,2+,3+,4-,5-,6-/m0/s1 |
| InChIKey: | POIWYXZEYSYIEW-HOZKJCLWSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1C(O)=O | | OpenEye OEToolkits 2.0.7 | C1(C(C(C(C(C1O)O)O)O)N)C(=O)O | | OpenEye OEToolkits 2.0.7 | [C@H]1([C@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)C(=O)O | | CACTVS 3.385 | N[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O | | ACDLabs 12.01 | C1(C(C(C(C(C1N)C(O)=O)O)O)O)O |
|
| Name: | (1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid;
cyclophellitol-aziridine, open form |
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