Chemical Components in the PDB

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5NA : Summary

Code

5NA

One-letter code

X

Molecule name

2-hydroxy-5-methyl naphthoic acid

Synonyms

2-hydroxy-5-methylnaphthalene-1-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 11.02 2-hydroxy-5-methylnaphthalene-1-carboxylic acid
OpenEye OEToolkits 1.6.1 2-hydroxy-5-methyl-naphthalene-1-carboxylic acid

Formula

C12 H10 O3

Formal charge

0

Molecular weight

202.206 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 O=C(O)c1c2c(ccc1O)c(ccc2)C
SMILES CACTVS 3.352 Cc1cccc2c1ccc(O)c2C(O)=O
SMILES OpenEye OEToolkits 1.7.0 Cc1cccc2c1ccc(c2C(=O)O)O
Canonical SMILES CACTVS 3.352 Cc1cccc2c1ccc(O)c2C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 Cc1cccc2c1ccc(c2C(=O)O)O

IUPAC InChI

InChI=1S/C12H10O3/c1-7-3-2-4-9-8(7)5-6-10(13)11(9)12(14)15/h2-6,13H,1H3,(H,14,15)

IUPAC InChI key

KKMAZNUSFFWQQY-UHFFFAOYSA-N
5NA

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-07-10

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned