ChemFOnt: Showing chemical card for Glycyl-L-glutamic acid (CFc000232407)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 02:01:33 UTC

Chemfont ID

CFc000232407

Molecule Identification

Common Name

Glycyl-L-glutamic acid

Definition

Glycyl-Glutamate 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. Glycyl-Glutamate has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make glycyl-glutamate a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Glycyl-Glutamate.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Glycyl-glutamic acid	Generator
g-e Dipeptide	HMDB
GE dipeptide	HMDB
Gly-glu	HMDB
Glycine glutamate dipeptide	HMDB
Glycine-glutamate dipeptide	HMDB
Glycylglutamate	HMDB
L-Glycyl-L-glutamate	HMDB
N-Glycylglutamic acid	MeSH, HMDB
2-[(2-Amino-1-hydroxyethylidene)amino]pentanedioate	Generator, HMDB

Chemical Formula

C₇H₁₂N₂O₅

Average Molecular Weight

204.182

Monoisotopic Molecular Weight

204.074621494

IUPAC Name

2-(2-aminoacetamido)pentanedioic acid

Traditional Name

2-(2-aminoacetamido)pentanedioic acid

CAS Registry Number

Not Available

SMILES

NCC(=O)NC(CCC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)

InChI Key

IEFJWDNGDZAYNZ-UHFFFAOYSA-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
Alpha-amino acid amide
Alpha-amino acid or derivatives
Dicarboxylic acid or derivatives
Fatty acid
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Carboxylic acid
Organonitrogen compound
Organic oxygen compound
Organic oxide
Primary aliphatic amine
Organopnictogen compound
Organic nitrogen compound
Carbonyl group
Organooxygen compound
Primary amine
Amine
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

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	29.1 g/L	ALOGPS
logP	-3.5	ALOGPS
logP	-4.6	ChemAxon
logS	-0.85	ALOGPS
pKa (Strongest Acidic)	3.17	ChemAxon
pKa (Strongest Basic)	8.14	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	6	ChemAxon
Refractivity	44.09 m³·mol⁻¹	ChemAxon
Polarizability	18.78 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

HMDB0252879

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111879

KNApSAcK ID

Not Available

Chemspider ID

270614

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

306108

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Glycyl-L-glutamic acid (CFc000232407)

MOL for CFc000232407 (Glycyl-L-glutamic acid)

3D MOL for CFc000232407 (Glycyl-L-glutamic acid)

3D SDF for CFc000232407 (Glycyl-L-glutamic acid)

3D-SDF for CFc000232407 (Glycyl-L-glutamic acid)

PDB for CFc000232407 (Glycyl-L-glutamic acid)

3D PDB for CFc000232407 (Glycyl-L-glutamic acid)

SMILES for CFc000232407 (Glycyl-L-glutamic acid)

INCHI for CFc000232407 (Glycyl-L-glutamic acid)

Structure for CFc000232407 (Glycyl-L-glutamic acid)

3D Structure for CFc000232407 (Glycyl-L-glutamic acid)