Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

NND

Summary
Name:(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL
Synonyms:N-NONYL-DEOXYNOJIRIMYCIN
Formula:C15 H31 N O4
Formal charge:0
Formula weight:289.411 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol
OpenEye OEToolkits1.5.0(1R,2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonyl-piperidine-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OCC1N(CCCCCCCCC)CC(O)C(O)C1O
SMILES_CANONICALCACTVS3.341CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
SMILESCACTVS3.341CCCCCCCCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCN1CC(C(C(C1CO)O)O)O
InChIInChI1.03InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
InChIKeyInChI1.03FTSCEGKYKXESFF-LXTVHRRPSA-N

226262

PDB entries from 2024-10-16

PDB statisticsPDBj update infoContact PDBjnumon