ChemFOnt: Showing chemical card for Glutaminyllysine (CFc000010071)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:24 UTC

Chemfont ID

CFc000010071

Molecule Identification

Common Name

Glutaminyllysine

Definition

Glutaminyllysine is a dipeptide composed of glutamine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
GLN-Lys	HMDB
L-Glutaminyl-L-lysine	HMDB
N2-Glutaminyllysine	HMDB
N2-L-Glutaminyl-L-lysine	HMDB
Glutaminyl-lysine	HMDB
Glutamine lysine dipeptide	HMDB
Glutamine-lysine dipeptide	HMDB
Q-K Dipeptide	HMDB
QK Dipeptide	HMDB
L-GLN-L-Lys	HMDB
(2S)-6-Amino-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}hexanoate	HMDB
Glutaminyllysine	HMDB

Chemical Formula

C₁₁H₂₂N₄O₄

Average Molecular Weight

274.321

Monoisotopic Molecular Weight

274.164105204

IUPAC Name

(2S)-6-amino-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}hexanoic acid

Traditional Name

(2S)-6-amino-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}hexanoic acid

CAS Registry Number

45234-03-5

SMILES

[H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CCCCN)C(O)=O

InChI Identifier

InChI=1S/C11H22N4O4/c12-6-2-1-3-8(11(18)19)15-10(17)7(13)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)/t7-,8-/m0/s1

InChI Key

CLSDNFWKGFJIBZ-YUMQZZPRSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
Medium-chain fatty acid
Amino fatty acid
N-acyl-amine
Fatty amide
Fatty acid
Fatty acyl
Primary carboxylic acid amide
Amino acid or derivatives
Secondary carboxylic acid amide
Carboxamide group
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organonitrogen compound
Primary aliphatic amine
Organooxygen compound
Primary amine
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Amine
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0028802)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Milk and milk product

Unfermented milk

Milk (Cow) (FooDB: FOOD00618)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.42 g/L	ALOGPS
logP	-2.7	ALOGPS
logP	-7.9	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	-0.49	ChemAxon
pKa (Strongest Basic)	12.93	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	166.01 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	79.18 m³·mol⁻¹	ChemAxon
Polarizability	28.76 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0028802

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB098198

KNApSAcK ID

Not Available

Chemspider ID

57537705

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71363012

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Glutaminyllysine (CFc000010071)

MOL for CFc000010071 (Glutaminyllysine)

3D MOL for CFc000010071 (Glutaminyllysine)

3D SDF for CFc000010071 (Glutaminyllysine)

3D-SDF for CFc000010071 (Glutaminyllysine)

PDB for CFc000010071 (Glutaminyllysine)

3D PDB for CFc000010071 (Glutaminyllysine)

SMILES for CFc000010071 (Glutaminyllysine)

INCHI for CFc000010071 (Glutaminyllysine)

Structure for CFc000010071 (Glutaminyllysine)

3D Structure for CFc000010071 (Glutaminyllysine)