ChemFOnt: Showing chemical card for Glutaminylproline (CFc000010074)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:24 UTC

Chemfont ID

CFc000010074

Molecule Identification

Common Name

Glutaminylproline

Definition

Glutaminylproline is a dipeptide composed of glutamine and proline. 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
GLN-Pro	HMDB
L-Glutaminyl-L-proline	HMDB
Glutaminyl-proline	HMDB
Glutamine proline dipeptide	HMDB
Glutamine-proline dipeptide	HMDB
Q-p Dipeptide	HMDB
QP Dipeptide	HMDB
L-GLN-L-Pro	HMDB
(2S)-1-[(2S)-2-Amino-4-(C-hydroxycarbonimidoyl)butanoyl]pyrrolidine-2-carboxylate	HMDB
Glutaminylproline	HMDB

Chemical Formula

C₁₀H₁₇N₃O₄

Average Molecular Weight

243.263

Monoisotopic Molecular Weight

243.121906039

IUPAC Name

(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid

Traditional Name

(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid

CAS Registry Number

139370-58-4

SMILES

N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O

InChI Identifier

InChI=1S/C10H17N3O4/c11-6(3-4-8(12)14)9(15)13-5-1-2-7(13)10(16)17/h6-7H,1-5,11H2,(H2,12,14)(H,16,17)/t6-,7-/m0/s1

InChI Key

NJMYZEJORPYOTO-BQBZGAKWSA-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
N-acyl-alpha amino acid or derivatives
Proline or derivatives
N-acyl-alpha-amino acid
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
N-acylpyrrolidine
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
Fatty acyl
Fatty amide
Tertiary carboxylic acid amide
Pyrrolidine
Amino acid
Primary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Carboxylic acid
Azacycle
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Organic oxygen compound
Primary aliphatic amine
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Amine
Primary amine
Organooxygen compound
Organonitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Feces (PMID: 26848182)

Source

Endogenous

Endogenous (HMDB: HMDB0028805)

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	21.9 g/L	ALOGPS
logP	-3	ALOGPS
logP	-4.3	ChemAxon
logS	-1	ALOGPS
pKa (Strongest Acidic)	3.58	ChemAxon
pKa (Strongest Basic)	8.22	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	126.72 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	58.1 m³·mol⁻¹	ChemAxon
Polarizability	23.99 Å³	ChemAxon
Number of Rings	1	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

HMDB0028805

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111851

KNApSAcK ID

Not Available

Chemspider ID

9911368

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11736661

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Glutaminylproline (CFc000010074)

MOL for CFc000010074 (Glutaminylproline)

3D MOL for CFc000010074 (Glutaminylproline)

3D SDF for CFc000010074 (Glutaminylproline)

3D-SDF for CFc000010074 (Glutaminylproline)

PDB for CFc000010074 (Glutaminylproline)

3D PDB for CFc000010074 (Glutaminylproline)

SMILES for CFc000010074 (Glutaminylproline)

INCHI for CFc000010074 (Glutaminylproline)

Structure for CFc000010074 (Glutaminylproline)

3D Structure for CFc000010074 (Glutaminylproline)