Chemical Components in the PDB

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G14 : Summary

Code

G14

One-letter code

X

Molecule name

2-phenyl-1H-imidazole-4-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 2-phenyl-1H-imidazole-4-carboxylic acid
OpenEye OEToolkits 1.5.0 2-phenyl-1H-imidazole-4-carboxylic acid

Formula

C10 H8 N2 O2

Formal charge

0

Molecular weight

188.183 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)c2nc(c1ccccc1)nc2
SMILES CACTVS 3.341 OC(=O)c1c[nH]c(n1)c2ccccc2
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)c2[nH]cc(n2)C(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)c1c[nH]c(n1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)c2[nH]cc(n2)C(=O)O

IUPAC InChI

InChI=1S/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)

IUPAC InChI key

XCAXKZJNJCKTQH-UHFFFAOYSA-N
G14

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-03-27

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned