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

YIV

Summary
Name:N-butylformamide
Formula:C5 H11 N O
Formal charge:0
Formula weight:101.147 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-butylformamide
OpenEye OEToolkits1.6.1N-butylmethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=CNCCCC
SMILES_CANONICALCACTVS3.352CCCCNC=O
SMILESCACTVS3.352CCCCNC=O
SMILES_CANONICALOpenEye OEToolkits1.6.1CCCCNC=O
SMILESOpenEye OEToolkits1.6.1CCCCNC=O
InChIInChI1.03InChI=1S/C5H11NO/c1-2-3-4-6-5-7/h5H,2-4H2,1H3,(H,6,7)
InChIKeyInChI1.03QQGNLKJAIVSNCO-UHFFFAOYSA-N

224931

数据于2024-09-11公开中

PDB statisticsPDBj update infoContact PDBjnumon