PDB Chemical Component KPA

Ideal Model

Chemical Description

Name 2-OXO-5-PHOSPHONOPENTANOIC ACID
Formula C5 H9 O6 P
Formal charge 0
Molecular weight 196.095 g/mol
Component type NON-POLYMER

Chemical features

Atom count 21
Chiral atom count 0
Bond count 20
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) 2-oxo-5-phosphonopentanoic acid
Systematic name (OpenEye OEToolkits) 2-oxo-5-phosphono-pentanoic acid

Chemical Descriptors

Stereo SMILES (CACTVS) OC(=O)C(=O)CCC[P](O)(O)=O
SMILES (CACTVS) OC(=O)C(=O)CCC[P](O)(O)=O
Stereo SMILES (OpenEye) C(CC(=O)C(=O)O)CP(=O)(O)O
InChI descriptor InChI=1/C5H9O6P/c6-4(5(7)8)2-1-3-12(9,10)11/h1-3H2,(H,7,8)(H2,9,10,11)/f/h7,9-10H
InChIKey descriptor UFXCSKVWNXIICO-LTOSFFJOCV

Status Information

Last modified 2008-10-14
Created 2004-02-24
Release status REL
Model PDB code 1VB3
Processing site RCSB