Chemical Components in the PDB

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8G0 : Summary

Code

8G0

One-letter code

X

Molecule name

benzene-1,3-dicarboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 benzene-1,3-dicarboxylic acid

Formula

C8 H6 O4

Formal charge

0

Molecular weight

166.131 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)c1cccc(c1)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)C(=O)O)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)c1cccc(c1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)C(=O)O)C(=O)O

IUPAC InChI

InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)

IUPAC InChI key

QQVIHTHCMHWDBS-UHFFFAOYSA-N
8G0

wwPDB Information

Atom count

18 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-06-30

Last modified at

2018-03-16

Status

Released

Obsoleted

Not Assigned