Chemical Components in the PDB

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8Z6 : Summary

Code

8Z6

One-letter code

X

Molecule name

2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione

Formula

C11 H10 O2 S

Formal charge

0

Molecular weight

206.261 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 [CH2]=[C]1C(=O)C[CH](CC1=O)c2sccc2
SMILES OpenEye OEToolkits 2.0.6 C=C1C(=O)CC(CC1=O)c2cccs2
Canonical SMILES CACTVS 3.385 [CH2]=[C]1C(=O)C[CH](CC1=O)c2sccc2
Canonical SMILES OpenEye OEToolkits 2.0.6 C=C1C(=O)CC(CC1=O)c2cccs2

IUPAC InChI

InChI=1S/C11H10O2S/c1-7-9(12)5-8(6-10(7)13)11-3-2-4-14-11/h2-4,8H,1,5-6H2

IUPAC InChI key

UVAAMJSQZGJWHM-UHFFFAOYSA-N
8Z6

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-11-09

Last modified at

2021-10-08

Status

Released

Obsoleted

Not Assigned