Chemical Components in the PDB

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BZJ : Summary

Code

BZJ

One-letter code

X

Molecule name

3-hydroxynaphthalene-2-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 3-hydroxynaphthalene-2-carboxylic acid
OpenEye OEToolkits 2.0.6 3-oxidanylnaphthalene-2-carboxylic acid

Formula

C11 H8 O3

Formal charge

0

Molecular weight

188.179 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(c1c(cc2c(c1)cccc2)O)(O)=O
SMILES CACTVS 3.385 OC(=O)c1cc2ccccc2cc1O
SMILES OpenEye OEToolkits 2.0.6 c1ccc2cc(c(cc2c1)C(=O)O)O
Canonical SMILES CACTVS 3.385 OC(=O)c1cc2ccccc2cc1O
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2cc(c(cc2c1)C(=O)O)O

IUPAC InChI

InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)

IUPAC InChI key

ALKYHXVLJMQRLQ-UHFFFAOYSA-N
BZJ

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-09-06

Last modified at

2018-09-07

Status

Released

Obsoleted

Not Assigned