| PDB CCD ID: | W72 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H21 N O9 |
| InChI: | InChI=1S/C11H21NO9/c13-3-4-7(16)5(14)1-12(4)2-6(15)8(17)9(18)10(19)11(20)21/h4-10,13-19H,1-3H2,(H,20,21)/t4-,5-,6+,7-,8-,9+,10-/m1/s1 |
| InChIKey: | ULVYPTHABPSARY-OMCDLXCCSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | OC[CH]1[CH](O)[CH](O)CN1C[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O | | OpenEye OEToolkits 1.5.0 | C1C(C(C(N1CC(C(C(C(C(=O)O)O)O)O)O)CO)O)O | | OpenEye OEToolkits 1.5.0 | C1[C@H]([C@@H]([C@H]([N@@]1C[C@@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)CO)O)O | | ACDLabs 10.04 | O=C(O)C(O)C(O)C(O)C(O)CN1C(C(O)C(O)C1)CO | | CACTVS 3.341 | OC[C@@H]1[C@@H](O)[C@H](O)CN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O |
|
| Name: | 6-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-L-GULONIC ACID |
| ZINC: | ZINC000058649978 |
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