Chemical Components in the PDB

pdbe.org/chem
spacer

UNA : Summary

Code

UNA

One-letter code

X

Molecule name

UNDECANAL

Systematic names

ProgramVersionName
ACDLabs 10.04 undecanal
OpenEye OEToolkits 1.5.0 undecanal

Formula

C11 H22 O

Formal charge

0

Molecular weight

170.292 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CCCCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCCC=O
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCC=O
Canonical SMILES CACTVS 3.341 CCCCCCCCCCC=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCC=O

IUPAC InChI

InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3

IUPAC InChI key

KMPQYAYAQWNLME-UHFFFAOYSA-N
UNA

wwPDB Information

Atom count

34 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-03-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned