Chemical Components in the PDB

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4ZA : Summary

Code

4ZA

One-letter code

X

Molecule name

6H-thieno[2,3-b]pyrrole-5-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 6H-thieno[2,3-b]pyrrole-5-carboxylic acid
OpenEye OEToolkits 1.9.2 6H-thieno[2,3-b]pyrrole-5-carboxylic acid

Formula

C7 H5 N O2 S

Formal charge

0

Molecular weight

167.185 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c12nc(C(O)=O)cc1ccs2
SMILES CACTVS 3.385 OC(=O)c1[nH]c2sccc2c1
SMILES OpenEye OEToolkits 1.9.2 c1csc2c1cc([nH]2)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)c1[nH]c2sccc2c1
Canonical SMILES OpenEye OEToolkits 1.9.2 c1csc2c1cc([nH]2)C(=O)O

IUPAC InChI

InChI=1S/C7H5NO2S/c9-7(10)5-3-4-1-2-11-6(4)8-5/h1-3,8H,(H,9,10)

IUPAC InChI key

SEPXFZLYPWFMSY-UHFFFAOYSA-N
4ZA

wwPDB Information

Atom count

16 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-06-30

Last modified at

2016-08-05

Status

Released

Obsoleted

Not Assigned