ChemFOnt: Showing chemical card for L-lysinium(1+) (CFc000043221)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:46:11 UTC

Chemfont ID

CFc000043221

Molecule Identification

Common Name

L-lysinium(1+)

Definition

L-lysinium(1+), also known as L-Lysine or (2S)-2,6-Diammoniohexanoate, is classified as a member of the L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. L-lysinium(1+) is considered to be soluble (in water) and acidic

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2S)-2,6-Diammoniohexanoate	ChEBI
L-Lysine	ChEBI
L-Lysine monocation	ChEBI
(2S)-2,6-Diammoniohexanoic acid	Generator
Acetate, lysine	HMDB
Lysine hydrochloride	HMDB
Enisyl	HMDB
L Lysine	HMDB
Lysine acetate	HMDB

Chemical Formula

C₆H₁₅N₂O₂

Average Molecular Weight

147.1955

Monoisotopic Molecular Weight

147.113352734

IUPAC Name

(5S)-5-amino-5-carboxypentan-1-aminium

Traditional Name

(5S)-5-amino-5-carboxypentan-1-aminium

CAS Registry Number

Not Available

SMILES

[H][C@](N)(CCCC[NH3+])C(O)=O

InChI Identifier

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

InChI Key

KDXKERNSBIXSRK-YFKPBYRVSA-O

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-alpha-amino acids

Alternative Parents

Substituents

L-alpha-amino acid
Medium-chain fatty acid
Amino fatty acid
Fatty acid
Fatty acyl
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Amine
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Primary amine
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Primary aliphatic amine
Organic oxygen compound
Carbonyl group
Organic cation
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

polar amino acid zwitterion (CHEBI:32551 )
lysinium(1+) (CHEBI:32551 )

Functional Ontology

Not Available

Exogenous (HMDB: HMDB0062809)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	31.9 g/L	ALOGPS
logP	-2.2	ALOGPS
logP	-3.2	ChemAxon
logS	-0.76	ALOGPS
pKa (Strongest Acidic)	2.74	ChemAxon
pKa (Strongest Basic)	10.29	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	90.96 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	49.1 m³·mol⁻¹	ChemAxon
Polarizability	16.23 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0062809

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

LYS

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

641599

PDB ID

LYS

ChEBI ID

32551

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for L-lysinium(1+) (CFc000043221)

MOL for CFc000043221 (L-lysinium(1+))

3D MOL for CFc000043221 (L-lysinium(1+))

3D SDF for CFc000043221 (L-lysinium(1+))

3D-SDF for CFc000043221 (L-lysinium(1+))

PDB for CFc000043221 (L-lysinium(1+))

3D PDB for CFc000043221 (L-lysinium(1+))

SMILES for CFc000043221 (L-lysinium(1+))

INCHI for CFc000043221 (L-lysinium(1+))

Structure for CFc000043221 (L-lysinium(1+))

3D Structure for CFc000043221 (L-lysinium(1+))