Chemical Components in the PDB

pdbe.org/chem
spacer

ARN : Summary

Code

ARN

One-letter code

X

Molecule name

1-IMINO-5-PENTANONE

Systematic names

ProgramVersionName
ACDLabs 10.04 (5E)-5-iminopentanal
OpenEye OEToolkits 1.5.0 5-iminopentanal

Formula

C5 H9 N O

Formal charge

0

Molecular weight

99.131 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CCCCC=[N@H]
SMILES CACTVS 3.341 N=CCCCC=O
SMILES OpenEye OEToolkits 1.5.0 C(CC=N)CC=O
Canonical SMILES CACTVS 3.341 N=CCCCC=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CC=N)CC=O

IUPAC InChI

InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h4-6H,1-3H2

IUPAC InChI key

UWHJGSVKWBLVLI-UHFFFAOYSA-N
ARN

wwPDB Information

Atom count

16 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-09-22

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned