PDB Chemical Component HPX

Ideal Model

Chemical Description

Name (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID
Formula C12 H10 O4
Formal charge 0
Molecular weight 218.205 g/mol
Component type NON-POLYMER

Chemical features

Atom count 26
Chiral atom count 0
Bond count 26
Aromatic bond count 6

Chemical Identifiers

Systematic name (ACDLabs) (2Z,4E)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
Systematic name (OpenEye OEToolkits) (2Z,4E)-2-hydroxy-6-oxo-6-phenyl-hexa-2,4-dienoic acid

Chemical Descriptors

Stereo SMILES (CACTVS) OC(=O)C(/O)=C/C=C/C(=O)c1ccccc1
SMILES (CACTVS) OC(=O)C(O)=CC=CC(=O)c1ccccc1
Stereo SMILES (OpenEye) c1ccc(cc1)C(=O)\C=C\C=C(\C(=O)O)/O
InChI descriptor InChI=1/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,14H,(H,15,16)/b7-4+,11-8-/f/h15H
InChIKey descriptor RDRDHXDYMGUCKE-QTLLXJRGDZ

Status Information

Last modified 2008-12-05
Created 2006-06-29
Release status REL
Model PDB code 2DSA
Processing site RCSB