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

GB

Summary
Name:METHYLPHOSPHONIC ACID ESTER GROUP
Formula:C H5 O3 P
Formal charge:0
Formula weight:96.022 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)C
SMILES_CANONICALCACTVS3.341C[P](O)(O)=O
SMILESCACTVS3.341C[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CP(=O)(O)O
SMILESOpenEye OEToolkits1.5.0CP(=O)(O)O
InChIInChI1.03InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
InChIKeyInChI1.03YACKEPLHDIMKIO-UHFFFAOYSA-N

227111

PDB entries from 2024-11-06

PDB statisticsPDBj update infoContact PDBjnumon