Chemical Components in the PDB

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4ZV : Summary

Code

4ZV

One-letter code

X

Molecule name

1H-indole-5-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.9.2 1H-indole-5-carboxylic acid

Formula

C9 H7 N O2

Formal charge

0

Molecular weight

161.157 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)c1ccc2[nH]ccc2c1
SMILES OpenEye OEToolkits 1.9.2 c1cc2c(cc[nH]2)cc1C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)c1ccc2[nH]ccc2c1
Canonical SMILES OpenEye OEToolkits 1.9.2 c1cc2c(cc[nH]2)cc1C(=O)O

IUPAC InChI

InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)

IUPAC InChI key

IENZCGNHSIMFJE-UHFFFAOYSA-N
4ZV

wwPDB Information

Atom count

19 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-07-02

Last modified at

2016-08-05

Status

Released

Obsoleted

Not Assigned