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

DHD

Summary
Name:2,4-DIOXO-PENTANEDIOIC ACID
Formula:C5 H4 O6
Formal charge:0
Formula weight:160.082 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042,4-dioxopentanedioic acid
OpenEye OEToolkits1.5.02,4-dioxopentanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(C(=O)O)CC(=O)C(=O)O
SMILES_CANONICALCACTVS3.341OC(=O)C(=O)CC(=O)C(O)=O
SMILESCACTVS3.341OC(=O)C(=O)CC(=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(C(=O)C(=O)O)C(=O)C(=O)O
SMILESOpenEye OEToolkits1.5.0C(C(=O)C(=O)O)C(=O)C(=O)O
InChIInChI1.03InChI=1S/C5H4O6/c6-2(4(8)9)1-3(7)5(10)11/h1H2,(H,8,9)(H,10,11)
InChIKeyInChI1.03TVKBBTQJNQDZRU-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon