ChemFOnt: Showing chemical card for Gamma-Glutamyl-Se-methylselenocysteine (CFc000006722)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:52:47 UTC

Chemfont ID

CFc000006722

Molecule Identification

Common Name

Gamma-Glutamyl-Se-methylselenocysteine

Definition

gamma-Glutamyl-Se-methylselenocysteine is an intermediate in selenoamino acid metabolism(KEGG ID C05695). It is generated from Se-methyl-selenocysteine via the enzyme gamma-glutamyltranspeptidase [EC:2.3.2.2].

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
g-Glutamyl-se-methylselenocysteine	Generator
Γ-glutamyl-se-methylselenocysteine	Generator
5-Glutamyl-se-methylselenocysteine	HMDB
gamma-Glutamyl-semc	HMDB
g-Glutamyl-semc	HMDB
Γ-glutamyl-semc	HMDB
GGMSC CPD	HMDB
Glutamyl-se-methylselenocysteine	HMDB

Chemical Formula

C₉H₁₆N₂O₅Se

Average Molecular Weight

311.19

Monoisotopic Molecular Weight

312.02244346

IUPAC Name

2-amino-4-{[1-carboxy-2-(methylselanyl)ethyl]carbamoyl}butanoic acid

Traditional Name

2-amino-4-{[1-carboxy-2-(methylselanyl)ethyl]carbamoyl}butanoic acid

CAS Registry Number

None

SMILES

C[Se]CC(NC(=O)CCC(N)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C9H16N2O5Se/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)

InChI Key

IEFQLTYCECVOLL-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
Gamma-glutamyl alpha-amino acid
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
Dicarboxylic acid or derivatives
Fatty acyl
Fatty acid
Fatty amide
N-acyl-amine
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Carboxylic acid
Selenoether
Organoselenium compound
Primary aliphatic amine
Primary amine
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0010716)

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

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Selenoamino Acid Metabolism (PathBank: SMP0063587)
Selenoamino Acid Metabolism (HMDB: HMDB0010716)

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	31.1 g/L	ALOGPS
logP	-3.1	ALOGPS
logP	-4.5	ChemAxon
logS	-1	ALOGPS
pKa (Strongest Acidic)	1.28	ChemAxon
pKa (Strongest Basic)	9.31	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	8	ChemAxon
Refractivity	66.28 m³·mol⁻¹	ChemAxon
Polarizability	24.81 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

HMDB0010716

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB027866

KNApSAcK ID

Not Available

Chemspider ID

389629

KEGG Compound ID

C05695

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

440760

PDB ID

Not Available

ChEBI ID

28776

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Gamma-Glutamyl-Se-methylselenocysteine (CFc000006722)

MOL for CFc000006722 (Gamma-Glutamyl-Se-methylselenocysteine)

3D MOL for CFc000006722 (Gamma-Glutamyl-Se-methylselenocysteine)

3D SDF for CFc000006722 (Gamma-Glutamyl-Se-methylselenocysteine)

3D-SDF for CFc000006722 (Gamma-Glutamyl-Se-methylselenocysteine)

PDB for CFc000006722 (Gamma-Glutamyl-Se-methylselenocysteine)

3D PDB for CFc000006722 (Gamma-Glutamyl-Se-methylselenocysteine)

SMILES for CFc000006722 (Gamma-Glutamyl-Se-methylselenocysteine)

INCHI for CFc000006722 (Gamma-Glutamyl-Se-methylselenocysteine)

Structure for CFc000006722 (Gamma-Glutamyl-Se-methylselenocysteine)

3D Structure for CFc000006722 (Gamma-Glutamyl-Se-methylselenocysteine)