Chemical Components in the PDB

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DBH : Summary

Code

DBH

One-letter code

X

Molecule name

2,3-DIHYDROXY-BENZOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 2,3-dihydroxybenzoic acid
OpenEye OEToolkits 1.5.0 2,3-dihydroxybenzoic acid

Formula

C7 H6 O4

Formal charge

0

Molecular weight

154.12 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)c1cccc(O)c1O
SMILES CACTVS 3.341 OC(=O)c1cccc(O)c1O
SMILES OpenEye OEToolkits 1.5.0 c1cc(c(c(c1)O)O)C(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)c1cccc(O)c1O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(c(c(c1)O)O)C(=O)O

IUPAC InChI

InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)

IUPAC InChI key

GLDQAMYCGOIJDV-UHFFFAOYSA-N
DBH

wwPDB Information

Atom count

17 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-03-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned