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

F50

Summary
Name:ETHANEPEROXOIC ACID
Formula:C2 H4 O3
Formal charge:0
Formula weight:76.051 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04ethaneperoxoic acid
OpenEye OEToolkits1.5.0ethaneperoxoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OO)C
SMILES_CANONICALCACTVS3.341CC(=O)OO
SMILESCACTVS3.341CC(=O)OO
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(=O)OO
SMILESOpenEye OEToolkits1.5.0CC(=O)OO
InChIInChI1.03InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3
InChIKeyInChI1.03KFSLWBXXFJQRDL-UHFFFAOYSA-N

218196

數據於2024-04-10公開中

PDB statisticsPDBj update infoContact PDBjnumon