Chemical Components in the PDB

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HAI : Summary

Code

HAI

One-letter code

X

Molecule name

CYCLOHEXYLAMMONIUM ION

Systematic names

ProgramVersionName
ACDLabs 10.04 cyclohexanaminium
OpenEye OEToolkits 1.5.0 cyclohexylazanium

Formula

C6 H14 N

Formal charge

1

Molecular weight

100.182 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [NH3+]C1CCCCC1
SMILES CACTVS 3.341 [NH3+]C1CCCCC1
SMILES OpenEye OEToolkits 1.5.0 C1CCC(CC1)[NH3+]
Canonical SMILES CACTVS 3.341 [NH3+]C1CCCCC1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CCC(CC1)[NH3+]

IUPAC InChI

InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1

IUPAC InChI key

PAFZNILMFXTMIY-UHFFFAOYSA-O
HAI

wwPDB Information

Atom count

21 (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