| PDB CCD ID: | 15A |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C8 H17 N3 O4 |
| InChI: | InChI=1S/C8H17N3O4/c9-1-2-10-8-7(15)6(14)5(13)4(3-12)11-8/h4-7,12-15H,1-3,9H2,(H,10,11)/t4-,5-,6+,7+/m1/s1 |
| InChIKey: | ZLIQDFHJGBHZAQ-JWXFUTCRSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | NCCN=C1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O | | CACTVS 3.341 | NCCN=C1N[CH](CO)[CH](O)[CH](O)[CH]1O | | ACDLabs 10.04 | OC1C(O)C(O)C(=N/CCN)/NC1CO | | OpenEye OEToolkits 1.5.0 | C(CN=C1C(C(C(C(N1)CO)O)O)O)N | | OpenEye OEToolkits 1.5.0 | C(C/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)N |
|
| Name: | (2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol |
| ChEMBL: | CHEMBL1213402 |
| ZINC: | ZINC000016052635 |
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