Chemical Components in the PDB

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OIO : Summary

Code

OIO

One-letter code

X

Molecule name

8-(1H-imidazol-1-yl)octanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 8-imidazol-1-yloctanoic acid

Formula

C11 H18 N2 O2

Formal charge

0

Molecular weight

210.273 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 OC(=O)CCCCCCCn1ccnc1
SMILES OpenEye OEToolkits 1.7.0 c1cn(cn1)CCCCCCCC(=O)O
Canonical SMILES CACTVS 3.352 OC(=O)CCCCCCCn1ccnc1
Canonical SMILES OpenEye OEToolkits 1.7.0 c1cn(cn1)CCCCCCCC(=O)O

IUPAC InChI

InChI=1S/C11H18N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-6,8H2,(H,14,15)

IUPAC InChI key

OUQGDTNNZRAKIB-UHFFFAOYSA-N
OIO

wwPDB Information

Atom count

33 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-11-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned