Chemical Components in the PDB

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FLK : Summary

Code

FLK

One-letter code

X

Molecule name

3-chloranyl-~{N}'-(4,5-dihydro-1~{H}-imidazol-3-ium-2-yl)propanehydrazide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-chloranyl-~{N}'-(4,5-dihydro-1~{H}-imidazol-3-ium-2-yl)propanehydrazide

Formula

C6 H12 Cl N4 O

Formal charge

1

Molecular weight

191.639 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 ClCCC(=O)NNC1=[NH+]CCN1
SMILES OpenEye OEToolkits 2.0.6 C1C[NH+]=C(N1)NNC(=O)CCCl
Canonical SMILES CACTVS 3.385 ClCCC(=O)NNC1=[NH+]CCN1
Canonical SMILES OpenEye OEToolkits 2.0.6 C1C[NH+]=C(N1)NNC(=O)CCCl

IUPAC InChI

InChI=1S/C6H11ClN4O/c7-2-1-5(12)10-11-6-8-3-4-9-6/h1-4H2,(H,10,12)(H2,8,9,11)/p+1

IUPAC InChI key

KIPZHINDKFZDKZ-UHFFFAOYSA-O
FLK

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-07-19

Last modified at

2018-08-03

Status

Released

Obsoleted

Not Assigned