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

AOP

Summary
Name:PENTYLOXYAMINO-ACETALDEHYDE
Formula:C7 H15 N O2
Formal charge:0
Formula weight:145.199 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[(pentyloxy)amino]acetaldehyde
OpenEye OEToolkits1.5.02-(pentoxyamino)ethanal

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=CCNOCCCCC
SMILES_CANONICALCACTVS3.341CCCCCONCC=O
SMILESCACTVS3.341CCCCCONCC=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCONCC=O
SMILESOpenEye OEToolkits1.5.0CCCCCONCC=O
InChIInChI1.03InChI=1S/C7H15NO2/c1-2-3-4-7-10-8-5-6-9/h6,8H,2-5,7H2,1H3
InChIKeyInChI1.03PKNNPRVGISCRDL-UHFFFAOYSA-N

223790

PDB entries from 2024-08-14

PDB statisticsPDBj update infoContact PDBjnumon