Chemical Components in the PDB

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BIK : Summary

Code

BIK

One-letter code

X

Molecule name

3,7-DIHYDROXY-2-NAPHTHOIC ACID

Synonyms

3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 3,7-dihydroxynaphthalene-2-carboxylic acid
OpenEye OEToolkits 1.5.0 3,7-dihydroxynaphthalene-2-carboxylic acid

Formula

C11 H8 O4

Formal charge

0

Molecular weight

204.179 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)c2cc1c(ccc(O)c1)cc2O
SMILES CACTVS 3.341 OC(=O)c1cc2cc(O)ccc2cc1O
SMILES OpenEye OEToolkits 1.5.0 c1cc(cc2c1cc(c(c2)C(=O)O)O)O
Canonical SMILES CACTVS 3.341 OC(=O)c1cc2cc(O)ccc2cc1O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(cc2c1cc(c(c2)C(=O)O)O)O

IUPAC InChI

InChI=1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15)

IUPAC InChI key

QMWOUSYSNFCKAZ-UHFFFAOYSA-N
BIK

wwPDB Information

Atom count

23 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-08-11

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned