Chemical Components in the PDB

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AHN : Summary

Code

AHN

One-letter code

X

Molecule name

N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE

Synonyms

N-ACETYLHISTAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-[2-(1H-imidazol-4-yl)ethyl]acetamide
OpenEye OEToolkits 1.5.0 N-[2-(1H-imidazol-4-yl)ethyl]ethanamide

Formula

C7 H11 N3 O

Formal charge

0

Molecular weight

153.182 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NCCc1ncnc1)C
SMILES CACTVS 3.341 CC(=O)NCCc1c[nH]cn1
SMILES OpenEye OEToolkits 1.5.0 CC(=O)NCCc1c[nH]cn1
Canonical SMILES CACTVS 3.341 CC(=O)NCCc1c[nH]cn1
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)NCCc1c[nH]cn1

IUPAC InChI

InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)

IUPAC InChI key

XJWPISBUKWZALE-UHFFFAOYSA-N
AHN

wwPDB Information

Atom count

22 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-07-29

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned