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IDL : Summary

Code

IDL

One-letter code

X

Molecule name

imidazo[1,2-a]pyridin-3-ylacetic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 imidazo[1,2-a]pyridin-3-ylacetic acid
OpenEye OEToolkits 1.7.6 2-imidazo[1,2-a]pyridin-3-ylethanoic acid

Formula

C9 H8 N2 O2

Formal charge

0

Molecular weight

176.172 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)Cc1cnc2ccccn12
SMILES CACTVS 3.370 OC(=O)Cc1cnc2ccccn12
SMILES OpenEye OEToolkits 1.7.6 c1ccn2c(c1)ncc2CC(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)Cc1cnc2ccccn12
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccn2c(c1)ncc2CC(=O)O

IUPAC InChI

InChI=1S/C9H8N2O2/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H,5H2,(H,12,13)

IUPAC InChI key

ZVBVKRNOISRONE-UHFFFAOYSA-N
IDL

wwPDB Information

Atom count

21 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-11-29

Last modified at

2011-12-09

Status

Released

Obsoleted

Not Assigned