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0HO : Summary

Code

0HO

One-letter code

X

Molecule name

2,1,3-benzothiadiazole-5-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 2,1,3-benzothiadiazole-5-carboxylic acid
OpenEye OEToolkits 1.7.6 2,1,3-benzothiadiazole-5-carboxylic acid

Formula

C7 H4 N2 O2 S

Formal charge

0

Molecular weight

180.184 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)c1ccc2nsnc2c1
SMILES CACTVS 3.370 OC(=O)c1ccc2nsnc2c1
SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1C(=O)O)nsn2
Canonical SMILES CACTVS 3.370 OC(=O)c1ccc2nsnc2c1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1C(=O)O)nsn2

IUPAC InChI

InChI=1S/C7H4N2O2S/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3H,(H,10,11)

IUPAC InChI key

YHMXJZVGBCACMT-UHFFFAOYSA-N
0HO

wwPDB Information

Atom count

16 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-01-19

Last modified at

2013-02-08

Status

Released

Obsoleted

Not Assigned