Chemical Components in the PDB

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D86 : Summary

Code

D86

One-letter code

X

Molecule name

[azanyl(piperidin-1-yl)methylidene]azanium

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 [azanyl(piperidin-1-yl)methylidene]azanium

Formula

C6 H14 N3

Formal charge

1

Molecular weight

128.195 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=[NH2+])N1CCCCC1
SMILES OpenEye OEToolkits 2.0.6 C1CCN(CC1)C(=[NH2+])N
Canonical SMILES CACTVS 3.385 NC(=[NH2+])N1CCCCC1
Canonical SMILES OpenEye OEToolkits 2.0.6 C1CCN(CC1)C(=[NH2+])N

IUPAC InChI

InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)/p+1

IUPAC InChI key

QUUYRYYUKNNNNS-UHFFFAOYSA-O
D86

wwPDB Information

Atom count

23 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-12-22

Last modified at

2018-02-23

Status

Released

Obsoleted

Not Assigned