ChemFOnt: Showing chemical card for 2,6-Diamino-5-hydroxyhexanoic acid (CFc000225044)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:48:04 UTC

Chemfont ID

CFc000225044

Molecule Identification

Common Name

2,6-Diamino-5-hydroxyhexanoic acid

Definition

2,6-Diamino-5-hydroxyhexanoic acid, also known as hydroxylysine or 5-hydroxy-2,6-diaminohexanoic acid, belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). 2,6-Diamino-5-hydroxyhexanoic acid exists in all living organisms, ranging from bacteria to humans. Based on a literature review very few articles have been published on 2,6-Diamino-5-hydroxyhexanoic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
5-Hydroxy-2,6-diaminohexanoic acid	ChEBI
Hydroxylysine	ChEBI
Hyl	ChEBI
5-Hydroxy-2,6-diaminohexanoate	Generator
2,6-Diamino-5-hydroxyhexanoate	Generator
(2S,5R)-2,6-Diamino-5-hydroxyhexanoic acid	HMDB
5 Hydroxylysine	HMDB
Lysine, 5 hydroxy	HMDB
2,6 Diamino 5 hydroxyhexanoic acid	HMDB
5-Hydroxylysine	HMDB
2,6-diamino-5-Hydroxyhexanoic acid	ChEBI

Chemical Formula

C₆H₁₄N₂O₃

Average Molecular Weight

162.187

Monoisotopic Molecular Weight

162.100442324

IUPAC Name

2,6-diamino-5-hydroxyhexanoic acid

Traditional Name

5-hydroxylysine

CAS Registry Number

Not Available

SMILES

NCC(O)CCC(N)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)

InChI Key

YSMODUONRAFBET-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

hydroxylysine (CHEBI:60175 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	124 g/L	ALOGPS
logP	-3.8	ALOGPS
logP	-4.4	ChemAxon
logS	-0.12	ALOGPS
pKa (Strongest Acidic)	2.45	ChemAxon
pKa (Strongest Basic)	9.75	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	109.57 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	39.17 m³·mol⁻¹	ChemAxon
Polarizability	16.64 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

HMDB0245508

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

1002

KEGG Compound ID

Not Available

BioCyc ID

CPD-7689

BiGG ID

Not Available

Wikipedia Link

Hydroxylysine

METLIN ID

Not Available

PubChem Compound

1029

PDB ID

Not Available

ChEBI ID

60175

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 2,6-Diamino-5-hydroxyhexanoic acid (CFc000225044)

MOL for CFc000225044 (2,6-Diamino-5-hydroxyhexanoic acid)

3D MOL for CFc000225044 (2,6-Diamino-5-hydroxyhexanoic acid)

3D SDF for CFc000225044 (2,6-Diamino-5-hydroxyhexanoic acid)

3D-SDF for CFc000225044 (2,6-Diamino-5-hydroxyhexanoic acid)

PDB for CFc000225044 (2,6-Diamino-5-hydroxyhexanoic acid)

3D PDB for CFc000225044 (2,6-Diamino-5-hydroxyhexanoic acid)

SMILES for CFc000225044 (2,6-Diamino-5-hydroxyhexanoic acid)

INCHI for CFc000225044 (2,6-Diamino-5-hydroxyhexanoic acid)

Structure for CFc000225044 (2,6-Diamino-5-hydroxyhexanoic acid)

3D Structure for CFc000225044 (2,6-Diamino-5-hydroxyhexanoic acid)