Chemical Components in the PDB

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ANL : Summary

Code

ANL

One-letter code

X

Molecule name

ANILINE

Systematic names

ProgramVersionName
ACDLabs 10.04 aniline
OpenEye OEToolkits 1.5.0 aniline

Formula

C6 H7 N

Formal charge

0

Molecular weight

93.126 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Nc1ccccc1
SMILES CACTVS 3.341 Nc1ccccc1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)N
Canonical SMILES CACTVS 3.341 Nc1ccccc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)N

IUPAC InChI

InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2

IUPAC InChI key

PAYRUJLWNCNPSJ-UHFFFAOYSA-N
ANL

wwPDB Information

Atom count

14 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned