Chemical Components in the PDB

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KZF : Summary

Code

KZF

One-letter code

X

Molecule name

2-(cyclohexylazaniumyl)ethanesulfonate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-(cyclohexylazaniumyl)ethanesulfonate

Formula

C8 H17 N O3 S

Formal charge

0

Molecular weight

207.29 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 [O-][S](=O)(=O)CC[NH2+]C1CCCCC1
SMILES OpenEye OEToolkits 2.0.7 C1CCC(CC1)[NH2+]CCS(=O)(=O)[O-]
Canonical SMILES CACTVS 3.385 [O-][S](=O)(=O)CC[NH2+]C1CCCCC1
Canonical SMILES OpenEye OEToolkits 2.0.7 C1CCC(CC1)[NH2+]CCS(=O)(=O)[O-]

IUPAC InChI

InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)

IUPAC InChI key

MKWKNSIESPFAQN-UHFFFAOYSA-N
KZF

wwPDB Information

Atom count

30 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-06-08

Last modified at

2022-09-16

Status

Released

Obsoleted

Not Assigned