ChemFOnt: Showing chemical card for Erythro-5-hydroxy-L-lysinium(1+) (CFc000042982)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:45:47 UTC

Chemfont ID

CFc000042982

Molecule Identification

Common Name

Erythro-5-hydroxy-L-lysinium(1+)

Definition

Erythro-5-hydroxy-L-lysinium(1+) is also known as (2S,5R)-2,6-Diazaniumyl-5-hydroxyhexanoate or (2S,5R)-5-Hydroxy-L-lysine. Erythro-5-hydroxy-L-lysinium(1+) is considered to be slightly soluble (in water) and acidic

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2S,5R)-2,6-Diazaniumyl-5-hydroxyhexanoate	ChEBI
(5R)-5-Hydroxy-L-lysine	ChEBI
Erythro-5-hydroxy-L-lysinium	ChEBI
Erythro-5-hydroxy-L-lysinium cation	ChEBI
(2S,5R)-2,6-Diazaniumyl-5-hydroxyhexanoic acid	Generator
(2S,5R)-5-Hydroxy-L-lysine	HMDB

Chemical Formula

C₆H₁₅N₂O₃

Average Molecular Weight

163.196

Monoisotopic Molecular Weight

163.107718771

IUPAC Name

(2R,5S)-5-amino-5-carboxy-2-hydroxypentan-1-aminium

Traditional Name

(2R,5S)-5-amino-5-carboxy-2-hydroxypentan-1-aminium

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/p+1/t4-,5+/m1/s1

InChI Key

YSMODUONRAFBET-UHNVWZDZSA-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
Hydroxy fatty acid
Fatty acid
Fatty acyl
1,2-aminoalcohol
Carboxylic acid salt
Secondary alcohol
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Amine
Primary amine
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Primary aliphatic amine
Organic oxygen compound
Alcohol
Carbonyl group
Organic nitrogen compound
Organic salt
Organic oxide
Organic cation
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

alpha-amino-acid cation (CHEBI:58357 )

Functional Ontology

Not Available

Exogenous (HMDB: HMDB0062570)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	56.7 g/L	ALOGPS
logP	-2.8	ALOGPS
logP	-4.4	ChemAxon
logS	-0.54	ALOGPS
pKa (Strongest Acidic)	2.45	ChemAxon
pKa (Strongest Basic)	9.75	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	111.19 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	50.46 m³·mol⁻¹	ChemAxon
Polarizability	16.99 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

HMDB0062570

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

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6994839

PDB ID

Not Available

ChEBI ID

58357

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Erythro-5-hydroxy-L-lysinium(1+) (CFc000042982)

MOL for CFc000042982 (Erythro-5-hydroxy-L-lysinium(1+))

3D MOL for CFc000042982 (Erythro-5-hydroxy-L-lysinium(1+))

3D SDF for CFc000042982 (Erythro-5-hydroxy-L-lysinium(1+))

3D-SDF for CFc000042982 (Erythro-5-hydroxy-L-lysinium(1+))

PDB for CFc000042982 (Erythro-5-hydroxy-L-lysinium(1+))

3D PDB for CFc000042982 (Erythro-5-hydroxy-L-lysinium(1+))

SMILES for CFc000042982 (Erythro-5-hydroxy-L-lysinium(1+))

INCHI for CFc000042982 (Erythro-5-hydroxy-L-lysinium(1+))

Structure for CFc000042982 (Erythro-5-hydroxy-L-lysinium(1+))

3D Structure for CFc000042982 (Erythro-5-hydroxy-L-lysinium(1+))