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

UBQ

Summary
Name:4-methyl-~{N}-undecyl-pyridine-1-carboxamide
Formula:C18 H36 N2 O
Formal charge:0
Formula weight:296.491 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-methyl-~{N}-undecyl-3,4,5,6-tetrahydro-2~{H}-pyridine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H36N2O/c1-3-4-5-6-7-8-9-10-11-14-19-18(21)20-15-12-17(2)13-16-20/h17H,3-16H2,1-2H3,(H,19,21)/p+1
InChIKeyInChI1.03SYMUTLCUVXEJOU-UHFFFAOYSA-O
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCNC(=O)[N+]1CCC(C)CC1
SMILESCACTVS3.385CCCCCCCCCCCNC(=O)[N+]1CCC(C)CC1
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCNC(=O)[N+]1CCC(CC1)C
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCNC(=O)[N+]1CCC(CC1)C

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon