Chemical Components in the PDB

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GTQ : Summary

Code

GTQ

One-letter code

X

Molecule name

2,5-dihydroxybenzoic acid

Systematic names

ProgramVersionName
ACDLabs 11.02 2,5-dihydroxybenzoic acid
OpenEye OEToolkits 1.6.1 2,5-dihydroxybenzoic acid

Formula

C7 H6 O4

Formal charge

0

Molecular weight

154.12 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 O=C(O)c1cc(O)ccc1O
SMILES CACTVS 3.352 OC(=O)c1cc(O)ccc1O
SMILES OpenEye OEToolkits 1.7.0 c1cc(c(cc1O)C(=O)O)O
Canonical SMILES CACTVS 3.352 OC(=O)c1cc(O)ccc1O
Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc(c(cc1O)C(=O)O)O

IUPAC InChI

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

IUPAC InChI key

WXTMDXOMEHJXQO-UHFFFAOYSA-N
GTQ

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

2009-09-17

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned