ChemFOnt: Showing chemical card for Lysylglutamic acid (CFc000010211)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:35 UTC

Chemfont ID

CFc000010211

Molecule Identification

Common Name

Lysylglutamic acid

Definition

Lysylglutamic acid is a dipeptide composed of lysine and glutamic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling 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
KE	ChEBI
L-Lys-L-glu	ChEBI
Lysyl-glutamate	ChEBI
Peptide vilon	ChEBI
Lysyl-glutamic acid	Generator
Lysylglutamate	Generator
K-e Dipeptide	HMDB
KE dipeptide	HMDB
L-Lysyl-L-glutamate	HMDB
L-Lysyl-L-glutamic acid	HMDB
Lys-glu	HMDB
Lysine glutamate dipeptide	HMDB
Lysine glutamic acid dipeptide	HMDB
Lysine-glutamate dipeptide	HMDB
Lysine-glutamic acid dipeptide	HMDB
N-L-Lysyl-L-glutamate	HMDB
N-L-Lysyl-L-glutamic acid	HMDB
N-Lysylglutamate	HMDB
N-Lysylglutamic acid	HMDB
Lysylglutamic acid	ChEBI

Chemical Formula

C₁₁H₂₁N₃O₅

Average Molecular Weight

275.305

Monoisotopic Molecular Weight

275.148120788

IUPAC Name

(2S)-2-[(2S)-2,6-diaminohexanamido]pentanedioic acid

Traditional Name

(2S)-2-[(2S)-2,6-diaminohexanamido]pentanedioic acid

CAS Registry Number

45234-02-4

SMILES

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

InChI Identifier

InChI=1S/C11H21N3O5/c12-6-2-1-3-7(13)10(17)14-8(11(18)19)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1

InChI Key

UGTZHPSKYRIGRJ-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
Glutamic acid or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
N-acyl-amine
Fatty amide
Fatty acyl
Fatty acid
Dicarboxylic acid or derivatives
Amino acid or derivatives
Secondary carboxylic acid amide
Carboxylic acid salt
Amino acid
Carboxamide group
Carboxylic acid
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Primary aliphatic amine
Primary amine
Organic zwitterion
Organic salt
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:74557 )

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0028950)

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)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	4.01 g/L	ALOGPS
logP	-3.9	ALOGPS
logP	-6.1	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	3.26	ChemAxon
pKa (Strongest Basic)	10.21	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	155.74 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	65.9 m³·mol⁻¹	ChemAxon
Polarizability	28.05 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

HMDB0028950

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111973

KNApSAcK ID

Not Available

Chemspider ID

5374068

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7010501

PDB ID

Not Available

ChEBI ID

74557

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Lysylglutamic acid (CFc000010211)

MOL for CFc000010211 (Lysylglutamic acid)

3D MOL for CFc000010211 (Lysylglutamic acid)

3D SDF for CFc000010211 (Lysylglutamic acid)

3D-SDF for CFc000010211 (Lysylglutamic acid)

PDB for CFc000010211 (Lysylglutamic acid)

3D PDB for CFc000010211 (Lysylglutamic acid)

SMILES for CFc000010211 (Lysylglutamic acid)

INCHI for CFc000010211 (Lysylglutamic acid)

Structure for CFc000010211 (Lysylglutamic acid)

3D Structure for CFc000010211 (Lysylglutamic acid)