KBE

beta-lysine

Created:	2010-02-05
Last modified:	2024-09-27

Find Related PDB Entry
22 entries where KBE is found in a polymer sequence

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	1
Bond Count	23
Aromatic Bond Count	0

2D diagram of KBE

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	beta-lysine
Synonyms	(3S)-3,6-diaminohexanoic acid
Systematic Name (OpenEye OEToolkits)	(3S)-3,6-bis(azanyl)hexanoic acid
Formula	C₆ H₁₄ N₂ O₂
Molecular Weight	146.188
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
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
InChI	InChI	1.03	InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
InChIKey	InChI	1.03	QKEWQOJCHPFEAF-YFKPBYRVSA-N

Related Resource References

Resource Name	Reference
PubChem	439417
ChEBI	CHEBI:15613

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.