Chemical Components in the PDB

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FKZ : Summary

Code

FKZ

One-letter code

X

Molecule name

octan-1-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 octan-1-amine

Formula

C8 H19 N

Formal charge

0

Molecular weight

129.243 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCCCCCN
SMILES OpenEye OEToolkits 2.0.6 CCCCCCCCN
Canonical SMILES CACTVS 3.385 CCCCCCCCN
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCCCCCCN

IUPAC InChI

InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3

IUPAC InChI key

IOQPZZOEVPZRBK-UHFFFAOYSA-N
FKZ

wwPDB Information

Atom count

28 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-07-18

Last modified at

2019-07-19

Status

Released

Obsoleted

Not Assigned