ChemFOnt: Showing chemical card for Lysylaspartic acid (CFc000010208)

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

CFc000010208

Molecule Identification

Common Name

Lysylaspartic acid

Definition

Lysylaspartic acid is a dipeptide composed of lysine and aspartic 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
K-D	ChEBI
KD	ChEBI
L-Lys-L-asp	ChEBI
Lysylaspartate	Generator
Lys-asp	HMDB
Lysyl aspartic acid	HMDB
K-D Dipeptide	HMDB
KD Dipeptide	HMDB
L-Lysyl-L-aspartate	HMDB
L-Lysyl-L-aspartic acid	HMDB
Lysine aspartate dipeptide	HMDB
Lysine aspartic acid dipeptide	HMDB
Lysine-aspartate dipeptide	HMDB
Lysine-aspartic acid dipeptide	HMDB
Lysyl-aspartate	HMDB
Lysyl-aspartic acid	HMDB
N-L-Lysyl-L-aspartate	HMDB
N-L-Lysyl-L-aspartic acid	HMDB
N-Lysylaspartate	HMDB
N-Lysylaspartic acid	HMDB
Lysylaspartic acid	HMDB

Chemical Formula

C₁₀H₁₉N₃O₅

Average Molecular Weight

261.278

Monoisotopic Molecular Weight

261.132470724

IUPAC Name

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

Traditional Name

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

CAS Registry Number

20556-18-7

SMILES

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

InChI Identifier

InChI=1S/C10H19N3O5/c11-4-2-1-3-6(12)9(16)13-7(10(17)18)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1

InChI Key

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

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:73601 )

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0028947)

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	4.79 g/L	ALOGPS
logP	-4	ALOGPS
logP	-6.4	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	3.34	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	9	ChemAxon
Refractivity	61.14 m³·mol⁻¹	ChemAxon
Polarizability	26.05 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

HMDB0028947

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111970

KNApSAcK ID

Not Available

Chemspider ID

4932361

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6426943

PDB ID

Not Available

ChEBI ID

73601

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Lysylaspartic acid (CFc000010208)

MOL for CFc000010208 (Lysylaspartic acid)

3D MOL for CFc000010208 (Lysylaspartic acid)

3D SDF for CFc000010208 (Lysylaspartic acid)

3D-SDF for CFc000010208 (Lysylaspartic acid)

PDB for CFc000010208 (Lysylaspartic acid)

3D PDB for CFc000010208 (Lysylaspartic acid)

SMILES for CFc000010208 (Lysylaspartic acid)

INCHI for CFc000010208 (Lysylaspartic acid)

Structure for CFc000010208 (Lysylaspartic acid)

3D Structure for CFc000010208 (Lysylaspartic acid)