Chemical Components in the PDB

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17Z : Summary

Code

17Z

One-letter code

X

Molecule name

2-methylnaphthalene-1,4-diol

Synonyms

Menadione, bound form

Systematic names

ProgramVersionName
ACDLabs 12.01 2-methylnaphthalene-1,4-diol
OpenEye OEToolkits 1.7.6 2-methylnaphthalene-1,4-diol

Formula

C11 H10 O2

Formal charge

0

Molecular weight

174.196 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc2c1ccccc1c(O)c(c2)C
SMILES CACTVS 3.370 Cc1cc(O)c2ccccc2c1O
SMILES OpenEye OEToolkits 1.7.6 Cc1cc(c2ccccc2c1O)O
Canonical SMILES CACTVS 3.370 Cc1cc(O)c2ccccc2c1O
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cc(c2ccccc2c1O)O

IUPAC InChI

InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3

IUPAC InChI key

ZJTLZYDQJHKRMQ-UHFFFAOYSA-N
17Z

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-10-31

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned