ChemFOnt: Showing chemical card for Valylglutamic acid (CFc000010379)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:48 UTC

Chemfont ID

CFc000010379

Molecule Identification

Common Name

Valylglutamic acid

Definition

Valylglutamic acid is a dipeptide composed of valine 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
L-Val-L-glu	ChEBI
Valyl-glutamate	ChEBI
VE	ChEBI
Valyl-glutamic acid	Generator
Valylglutamate	Generator
L-Valyl-L-glutamate	HMDB
L-Valyl-L-glutamic acid	HMDB
N-L-Valyl-L-glutamate	HMDB
N-L-Valyl-L-glutamic acid	HMDB
N-Valylglutamate	HMDB
N-Valylglutamic acid	HMDB
V-e Dipeptide	HMDB
VE dipeptide	HMDB
Val-glu	HMDB
Valine glutamate dipeptide	HMDB
Valine glutamic acid dipeptide	HMDB
Valine-glutamate dipeptide	HMDB
Valine-glutamic acid dipeptide	HMDB
Valylglutamic acid	ChEBI

Chemical Formula

C₁₀H₁₈N₂O₅

Average Molecular Weight

246.263

Monoisotopic Molecular Weight

246.121571688

IUPAC Name

(2S)-2-[(2S)-2-amino-3-methylbutanamido]pentanedioic acid

Traditional Name

(2S)-2-[(2S)-2-amino-3-methylbutanamido]pentanedioic acid

CAS Registry Number

3062-07-5

SMILES

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

InChI Identifier

InChI=1S/C10H18N2O5/c1-5(2)8(11)9(15)12-6(10(16)17)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1

InChI Key

UPJONISHZRADBH-XPUUQOCRSA-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
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Valine or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Branched fatty acid
N-acyl-amine
Fatty acyl
Fatty acid
Dicarboxylic acid or derivatives
Fatty amide
Amino acid
Carboxamide group
Secondary carboxylic acid amide
Amino acid or derivatives
Carboxylic acid
Organic nitrogen compound
Primary aliphatic amine
Organonitrogen compound
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

dipeptide (CHEBI:75011 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Saliva (PMID: 22308371)

Excreta

Biofluid or Excreta

Feces (PMID: 27275383)

Source

Endogenous

Endogenous (HMDB: HMDB0029126)

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	7.65 g/L	ALOGPS
logP	-3	ALOGPS
logP	-3.1	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	3.44	ChemAxon
pKa (Strongest Basic)	8.51	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	129.72 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	57.58 m³·mol⁻¹	ChemAxon
Polarizability	24.32 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

HMDB0029126

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB112128

KNApSAcK ID

Not Available

Chemspider ID

5373203

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7009623

PDB ID

Not Available

ChEBI ID

75011

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Valylglutamic acid (CFc000010379)

MOL for CFc000010379 (Valylglutamic acid)

3D MOL for CFc000010379 (Valylglutamic acid)

3D SDF for CFc000010379 (Valylglutamic acid)

3D-SDF for CFc000010379 (Valylglutamic acid)

PDB for CFc000010379 (Valylglutamic acid)

3D PDB for CFc000010379 (Valylglutamic acid)

SMILES for CFc000010379 (Valylglutamic acid)

INCHI for CFc000010379 (Valylglutamic acid)

Structure for CFc000010379 (Valylglutamic acid)

3D Structure for CFc000010379 (Valylglutamic acid)