Chemical Components in the PDB

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KBE : Summary

Code

KBE

One-letter code

K

Molecule name

beta-lysine

Synonyms

(3S)-3,6-diaminohexanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 (3S)-3,6-bis(azanyl)hexanoic acid

Formula

C6 H14 N2 O2

Formal charge

0

Molecular weight

146.188 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 NCCC[CH](N)CC(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(CC(CC(=O)O)N)CN
Canonical SMILES CACTVS 3.352 NCCC[C@H](N)CC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C(C[C@@H](CC(=O)O)N)CN

IUPAC InChI

InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1

IUPAC InChI key

QKEWQOJCHPFEAF-YFKPBYRVSA-N
KBE

wwPDB Information

Atom count

24 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2010-02-05

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned