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

6A9

Summary
Name:N-9'-methoxynonyl-1-deoxynojirimycin
Formula:C16 H33 N O5
Formal charge:0
Formula weight:319.437 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(9-methoxynonyl)piperidine-3,4,5-triol
OpenEye OEToolkits2.0.4(2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-1-(9-methoxynonyl)piperidine-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(CCCCCN1CC(C(C(C1CO)O)O)O)CCCOC
InChIInChI1.03InChI=1S/C16H33NO5/c1-22-10-8-6-4-2-3-5-7-9-17-11-14(19)16(21)15(20)13(17)12-18/h13-16,18-21H,2-12H2,1H3/t13-,14+,15-,16-/m1/s1
InChIKeyInChI1.03TYTARGBBJQKLAJ-QKPAOTATSA-N
SMILES_CANONICALCACTVS3.385COCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
SMILESCACTVS3.385COCCCCCCCCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO
SMILES_CANONICALOpenEye OEToolkits2.0.4COCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
SMILESOpenEye OEToolkits2.0.4COCCCCCCCCCN1CC(C(C(C1CO)O)O)O

225946

PDB entries from 2024-10-09

PDB statisticsPDBj update infoContact PDBjnumon