Chemical Components in the PDB

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E7I : Summary

Code

E7I

One-letter code

X

Molecule name

benzoselenoate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 benzenecarboselenoic Se-acid

Formula

C7 H6 O Se

Formal charge

0

Molecular weight

185.082 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 [SeH]C(=O)c1ccccc1
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)C(=O)[SeH]
Canonical SMILES CACTVS 3.385 [SeH]C(=O)c1ccccc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)C(=O)[SeH]

IUPAC InChI

InChI=1S/C7H6OSe/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

IUPAC InChI key

CPPIWWONXCQFEZ-UHFFFAOYSA-N
E7I

wwPDB Information

Atom count

15 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-01-04

Last modified at

2023-01-13

Status

Released

Obsoleted

Not Assigned