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

OYA

Summary
Name:OCTANAL
Synonyms:OCTYL ALDEHYDE
Formula:C8 H16 O
Formal charge:0
Formula weight:128.212 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04octanal
OpenEye OEToolkits1.5.0octanal

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=CCCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCC=O
SMILESCACTVS3.341CCCCCCCC=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCC=O
SMILESOpenEye OEToolkits1.5.0CCCCCCCC=O
InChIInChI1.03InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
InChIKeyInChI1.03NUJGJRNETVAIRJ-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon