ChemFOnt: Showing chemical card for Serinyl-Gamma-glutamate (CFc000010306)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:42 UTC

Chemfont ID

CFc000010306

Molecule Identification

Common Name

Serinyl-Gamma-glutamate

Definition

Serinyl-Gamma-glutamate is a dipeptide composed of serine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Serinyl-g-glutamate	Generator
Serinyl-g-glutamic acid	Generator
Serinyl-gamma-glutamic acid	Generator
Serinyl-γ-glutamate	Generator
Serinyl-γ-glutamic acid	Generator
L-Serinyl-L-gamma-glutamate	HMDB
S-GE dipeptide	HMDB
Ser-gglu	HMDB
Serine gamma-glutamate dipeptide	HMDB
Serine-gamma-glutamate dipeptide	HMDB
Serinylgamma-glutamate	HMDB
SGE dipeptide	HMDB
2-Amino-4-[(2-amino-3-hydroxypropanoyl)-C-hydroxycarbonimidoyl]butanoate	HMDB

Chemical Formula

C₈H₁₅N₃O₅

Average Molecular Weight

233.2218

Monoisotopic Molecular Weight

233.101170605

IUPAC Name

2-amino-4-[(2-amino-3-hydroxypropanoyl)carbamoyl]butanoic acid

Traditional Name

2-amino-4-[(2-amino-3-hydroxypropanoyl)carbamoyl]butanoic acid

CAS Registry Number

None

SMILES

NC(CCC(=O)NC(=O)C(N)CO)C(O)=O

InChI Identifier

InChI=1S/C8H15N3O5/c9-4(8(15)16)1-2-6(13)11-7(14)5(10)3-12/h4-5,12H,1-3,9-10H2,(H,15,16)(H,11,13,14)

InChI Key

XSBSFWZOXUFADP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Glutamine and derivatives

Alternative Parents

Substituents

Glutamine or derivatives
Alpha-amino acid amide
Serine or derivatives
Alpha-amino acid
N-acyl-amine
Fatty acid
Carboxylic acid imide
Dicarboximide
Carboxylic acid imide, n-unsubstituted
Amino acid
Monocarboxylic acid or derivatives
Carboxylic acid
Primary alcohol
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Alcohol
Primary aliphatic amine
Organic oxide
Organopnictogen compound
Carbonyl group
Amine
Organic oxygen compound
Organic nitrogen compound
Primary amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0029053)

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	19.9 g/L	ALOGPS
logP	-3.4	ALOGPS
logP	-5.4	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	1.89	ChemAxon
pKa (Strongest Basic)	9.41	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	6	ChemAxon
Refractivity	52.07 m³·mol⁻¹	ChemAxon
Polarizability	22.19 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

HMDB0029053

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB112059

KNApSAcK ID

Not Available

Chemspider ID

35032824

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131750784

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Serinyl-Gamma-glutamate (CFc000010306)

MOL for CFc000010306 (Serinyl-Gamma-glutamate)

3D MOL for CFc000010306 (Serinyl-Gamma-glutamate)

3D SDF for CFc000010306 (Serinyl-Gamma-glutamate)

3D-SDF for CFc000010306 (Serinyl-Gamma-glutamate)

PDB for CFc000010306 (Serinyl-Gamma-glutamate)

3D PDB for CFc000010306 (Serinyl-Gamma-glutamate)

SMILES for CFc000010306 (Serinyl-Gamma-glutamate)

INCHI for CFc000010306 (Serinyl-Gamma-glutamate)

Structure for CFc000010306 (Serinyl-Gamma-glutamate)

3D Structure for CFc000010306 (Serinyl-Gamma-glutamate)