Bovine Metabolome Database: Showing metabocard for Prolyl-Gamma-glutamate (BMDB0064047)

Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2020-03-03 19:37:41 UTC

Update Date

2020-04-22 15:56:45 UTC

BMDB ID

BMDB0064047

Secondary Accession Numbers

BMDB64047

Metabolite Identification

Common Name

Prolyl-Gamma-glutamate

Description

Prolyl-Gamma-glutamate, also known as p-ge dipeptide or prolyl-g-glutamic acid, 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. Based on a literature review very few articles have been published on Prolyl-Gamma-glutamate.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Prolyl-g-glutamate	Generator
Prolyl-g-glutamic acid	Generator
Prolyl-gamma-glutamic acid	Generator
Prolyl-γ-glutamate	Generator
Prolyl-γ-glutamic acid	Generator
L-Prolyl-L-gamma-glutamate	HMDB
p-GE dipeptide	HMDB
PGE dipeptide	HMDB
Pro-gglu	HMDB
Proline gamma-glutamate dipeptide	HMDB
Proline-gamma-glutamate dipeptide	HMDB
Prolylgamma-glutamate	HMDB
2-Amino-4-[(pyrrolidine-2-carbonyl)-C-hydroxycarbonimidoyl]butanoate	HMDB

Chemical Formula

C₁₀H₁₇N₃O₄

Average Molecular Weight

243.2597

Monoisotopic Molecular Weight

243.121906047

IUPAC Name

2-amino-5-oxo-5-[(pyrrolidin-2-yl)formamido]pentanoic acid

Traditional Name

2-amino-5-oxo-5-(pyrrolidin-2-ylformamido)pentanoic acid

CAS Registry Number

Not Available

SMILES

NC(CCC(=O)NC(=O)C1CCCN1)C(O)=O

InChI Identifier

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

InChI Key

FSGFZJVYAZKWHO-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
Glutamine or derivatives
Proline or derivatives
Alpha-amino acid amide
Alpha-amino acid
Alpha-amino acid or derivatives
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Heterocyclic fatty acid
N-acyl-amine
Fatty acid
Fatty acyl
Pyrrolidine
Carboxylic acid imide
Dicarboximide
Carboxylic acid imide, n-unsubstituted
Amino acid
Amino acid or derivatives
Organoheterocyclic compound
Secondary amine
Carboxylic acid
Secondary aliphatic amine
Monocarboxylic acid or derivatives
Azacycle
Organic nitrogen compound
Primary aliphatic amine
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Carbonyl group
Organic oxide
Amine
Organopnictogen compound
Organic oxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Status

Expected but not Quantified

Origin

Endogenous

Biofunction

Not Available

Application

Not Available

Cellular locations

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-2.6	ALOGPS
logP	-4.4	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	1.85	ChemAxon
pKa (Strongest Basic)	9.96	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	121.52 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	58.1 m³·mol⁻¹	ChemAxon
Polarizability	24.24 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Pathways

Not Available

Name	SMPDB/Pathwhiz	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

External Links

HMDB ID

HMDB0029031

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB112039

KNApSAcK ID

Not Available

Chemspider ID

35032822

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131750782

PDB ID

Not Available

ChEBI ID

176385

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Prolyl-Gamma-glutamate (BMDB0064047)

Structure for BMDB0064047 (Prolyl-Gamma-glutamate)