Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

DD9 : Summary

Code

DD9

One-letter code

X

Molecule name

nonane

Systematic names

ProgramVersionName
ACDLabs 10.04 nonane
OpenEye OEToolkits 1.5.0 nonane

Formula

C9 H20

Formal charge

0

Molecular weight

128.255 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 CCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCC
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCC
Canonical SMILES CACTVS 3.341 CCCCCCCCC
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCC

IUPAC InChI

InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3

IUPAC InChI key

BKIMMITUMNQMOS-UHFFFAOYSA-N
DD9

wwPDB Information

Atom count

29 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-05-07

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned