Chemical Components in the PDB

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5ZG : Summary

Code

5ZG

One-letter code

X

Molecule name

ethyl-4-methylbenzylphosphonate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ethoxy-[(4-methylphenyl)methyl]phosphinic acid

Formula

C10 H15 O3 P

Formal charge

0

Molecular weight

214.198 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCO[P](O)(=O)Cc1ccc(C)cc1
SMILES OpenEye OEToolkits 2.0.7 CCOP(=O)(Cc1ccc(cc1)C)O
Canonical SMILES CACTVS 3.385 CCO[P](O)(=O)Cc1ccc(C)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 CCOP(=O)(Cc1ccc(cc1)C)O

IUPAC InChI

InChI=1S/C10H15O3P/c1-3-13-14(11,12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,11,12)

IUPAC InChI key

UGYWRBROZXWBSU-UHFFFAOYSA-N
5ZG

wwPDB Information

Atom count

29 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-07-21

Last modified at

2022-07-29

Status

Released

Obsoleted

Not Assigned