Chemical Components in the PDB

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DBF : Summary

Code

DBF

One-letter code

X

Molecule name

DIBENZOFURAN-4,6-DICARBOXYLIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 dibenzo[b,d]furan-4,6-dicarboxylic acid
OpenEye OEToolkits 1.5.0 dibenzofuran-4,6-dicarboxylic acid

Formula

C14 H8 O5

Formal charge

0

Molecular weight

256.21 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)c3c2oc1c(cccc1c2ccc3)C(=O)O
SMILES CACTVS 3.341 OC(=O)c1cccc2c1oc3c(cccc23)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc2c3cccc(c3oc2c(c1)C(=O)O)C(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)c1cccc2c1oc3c(cccc23)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c3cccc(c3oc2c(c1)C(=O)O)C(=O)O

IUPAC InChI

InChI=1S/C14H8O5/c15-13(16)9-5-1-3-7-8-4-2-6-10(14(17)18)12(8)19-11(7)9/h1-6H,(H,15,16)(H,17,18)

IUPAC InChI key

HBBGSNOHAGNQRQ-UHFFFAOYSA-N
DBF

wwPDB Information

Atom count

27 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-01-28

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned