Chemical Components in the PDB

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HPZ : Summary

Code

HPZ

One-letter code

X

Molecule name

(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2E,4E)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
OpenEye OEToolkits 1.5.0 (2E,4E)-2-hydroxy-6-oxo-6-phenyl-hexa-2,4-dienoic acid

Formula

C12 H10 O4

Formal charge

0

Molecular weight

218.205 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(\C=C\C=C(\O)C(=O)O)c1ccccc1
SMILES CACTVS 3.341 OC(=O)C(O)=CC=CC(=O)c1ccccc1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C(=O)C=CC=C(C(=O)O)O
Canonical SMILES CACTVS 3.341 OC(=O)C(\O)=C/C=C/C(=O)c1ccccc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C(=O)\C=C\C=C(/C(=O)O)\O

IUPAC InChI

InChI=1S/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+

IUPAC InChI key

RDRDHXDYMGUCKE-VCABWLAWSA-N
HPZ

wwPDB Information

Atom count

26 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-05-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned