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15A

Summary
Name:(2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol
Formula:C8 H17 N3 O4
Formal charge:0
Formula weight:219.238 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol
OpenEye OEToolkits1.5.0(2Z,3R,4S,5R,6R)-2-(2-aminoethylimino)-6-(hydroxymethyl)piperidine-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC1C(O)C(O)C(=N/CCN)/NC1CO
SMILES_CANONICALCACTVS3.341NCCN=C1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
SMILESCACTVS3.341NCCN=C1N[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(C/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)N
SMILESOpenEye OEToolkits1.5.0C(CN=C1C(C(C(C(N1)CO)O)O)O)N
InChIInChI1.03InChI=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
InChIKeyInChI1.03ZLIQDFHJGBHZAQ-JWXFUTCRSA-N

248636

PDB entries from 2026-02-04

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