ChemFOnt: Showing chemical card for Serylglutamic acid (CFc000010291)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:41 UTC

Chemfont ID

CFc000010291

Molecule Identification

Common Name

Serylglutamic acid

Definition

Serylglutamic acid is a dipeptide composed of serine and glutamic acid. 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.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
L-Ser-L-glu	ChEBI
SE	ChEBI
Serinyl-glutamate	ChEBI
Serinyl-glutamic acid	Generator
Serylglutamate	Generator
L-Seryl-L-glutamate	HMDB
L-Seryl-L-glutamic acid	HMDB
N-L-Seryl-L-glutamate	HMDB
N-L-Seryl-L-glutamic acid	HMDB
N-Serylglutamate	HMDB
N-Serylglutamic acid	HMDB
S-e Dipeptide	HMDB
SE dipeptide	HMDB
Ser-glu	HMDB
Serine glutamate dipeptide	HMDB
Serine glutamic acid dipeptide	HMDB
Serine-glutamate dipeptide	HMDB
Serine-glutamic acid dipeptide	HMDB
Serinylglutamate	HMDB
Serinylglutamic acid	HMDB
Seryl-glutamate	HMDB
Seryl-glutamic acid	HMDB
Serylglutamic acid	ChEBI

Chemical Formula

C₈H₁₄N₂O₆

Average Molecular Weight

234.208

Monoisotopic Molecular Weight

234.085186179

IUPAC Name

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

Traditional Name

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

CAS Registry Number

6403-16-3

SMILES

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

InChI Identifier

InChI=1S/C8H14N2O6/c9-4(3-11)7(14)10-5(8(15)16)1-2-6(12)13/h4-5,11H,1-3,9H2,(H,10,14)(H,12,13)(H,15,16)/t4-,5-/m0/s1

InChI Key

LAFKUZYWNCHOHT-WHFBIAKZSA-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
Alpha-amino acid amide
Serine or derivatives
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
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organic oxide
Primary aliphatic amine
Organopnictogen compound
Carbonyl group
Alcohol
Amine
Primary alcohol
Primary amine
Organic oxygen compound
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:74813 )

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0029038)

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	24.8 g/L	ALOGPS
logP	-3.6	ALOGPS
logP	-5.1	ChemAxon
logS	-0.97	ALOGPS
pKa (Strongest Acidic)	3.14	ChemAxon
pKa (Strongest Basic)	7.85	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	149.95 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	50.13 m³·mol⁻¹	ChemAxon
Polarizability	21.49 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

HMDB0029038

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB112046

KNApSAcK ID

Not Available

Chemspider ID

5386361

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7023503

PDB ID

Not Available

ChEBI ID

74813

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Serylglutamic acid (CFc000010291)

MOL for CFc000010291 (Serylglutamic acid)

3D MOL for CFc000010291 (Serylglutamic acid)

3D SDF for CFc000010291 (Serylglutamic acid)

3D-SDF for CFc000010291 (Serylglutamic acid)

PDB for CFc000010291 (Serylglutamic acid)

3D PDB for CFc000010291 (Serylglutamic acid)

SMILES for CFc000010291 (Serylglutamic acid)

INCHI for CFc000010291 (Serylglutamic acid)

Structure for CFc000010291 (Serylglutamic acid)

3D Structure for CFc000010291 (Serylglutamic acid)