Chemical Components in the PDB

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DIN : Summary

Code

DIN

One-letter code

X

Molecule name

1,6-DIHYDROXY NAPHTHALENE

Systematic names

ProgramVersionName
ACDLabs 10.04 naphthalene-1,6-diol
OpenEye OEToolkits 1.5.0 naphthalene-1,6-diol

Formula

C10 H8 O2

Formal charge

0

Molecular weight

160.169 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc1cccc2c1ccc(O)c2
SMILES CACTVS 3.341 Oc1ccc2c(O)cccc2c1
SMILES OpenEye OEToolkits 1.5.0 c1cc2cc(ccc2c(c1)O)O
Canonical SMILES CACTVS 3.341 Oc1ccc2c(O)cccc2c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2cc(ccc2c(c1)O)O

IUPAC InChI

InChI=1S/C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,11-12H

IUPAC InChI key

FZZQNEVOYIYFPF-UHFFFAOYSA-N
DIN

wwPDB Information

Atom count

20 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-05-11

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned