ChemFOnt: Showing chemical card for gamma-L-Glutamyl-L-pipecolic acid (CFc000019515)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:10:30 UTC

Chemfont ID

CFc000019515

Molecule Identification

Common Name

gamma-L-Glutamyl-L-pipecolic acid

Definition

gamma-L-Glutamyl-L-pipecolic acid is found in green vegetables. gamma-L-Glutamyl-L-pipecolic acid is isolated from the seeds of Gleditisia caspica (Caspian locust).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
g-L-Glutamyl-L-pipecolate	Generator
g-L-Glutamyl-L-pipecolic acid	Generator
gamma-L-Glutamyl-L-pipecolate	Generator
Γ-L-glutamyl-L-pipecolate	Generator
Γ-L-glutamyl-L-pipecolic acid	Generator
1-(4-Amino-4-carboxybutanoyl)piperidine-2-carboxylate	Generator

Chemical Formula

C₁₁H₁₈N₂O₅

Average Molecular Weight

258.271

Monoisotopic Molecular Weight

258.121571696

IUPAC Name

1-(4-amino-4-carboxybutanoyl)piperidine-2-carboxylic acid

Traditional Name

1-(4-amino-4-carboxybutanoyl)piperidine-2-carboxylic acid

CAS Registry Number

None

SMILES

NC(CCC(=O)N1CCCCC1C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C11H18N2O5/c12-7(10(15)16)4-5-9(14)13-6-2-1-3-8(13)11(17)18/h7-8H,1-6,12H2,(H,15,16)(H,17,18)

InChI Key

MNEBDCWSYIPUDZ-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
Alpha-amino acid
Alpha-amino acid or derivatives
N-acyl-piperidine
Piperidinecarboxylic acid
Heterocyclic fatty acid
Dicarboxylic acid or derivatives
Fatty acyl
Fatty acid
Piperidine
Tertiary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Amino acid
Carboxylic acid
Azacycle
Organoheterocyclic compound
Primary aliphatic amine
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Primary amine
Organonitrogen compound
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0038614)
Cytoplasm (HMDB: HMDB0038614)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038614)

Source

Exogenous

Exogenous (HMDB: HMDB0038614)

Food

Food (HMDB: HMDB0038614)

Vegetable

Leaf vegetable

Green vegetables (FooDB: FOOD00872)

Endogenous

Plant

Plant (HMDB: HMDB0038614)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0038614)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	17 g/L	ALOGPS
logP	-2.9	ALOGPS
logP	-3.1	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	2.04	ChemAxon
pKa (Strongest Basic)	9.31	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	120.93 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	60.88 m³·mol⁻¹	ChemAxon
Polarizability	25.98 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

HMDB0038614

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB018008

KNApSAcK ID

Not Available

Chemspider ID

35014615

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

69247902

PDB ID

Not Available

ChEBI ID

173838

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for gamma-L-Glutamyl-L-pipecolic acid (CFc000019515)

MOL for CFc000019515 (gamma-L-Glutamyl-L-pipecolic acid)

3D MOL for CFc000019515 (gamma-L-Glutamyl-L-pipecolic acid)

3D SDF for CFc000019515 (gamma-L-Glutamyl-L-pipecolic acid)

3D-SDF for CFc000019515 (gamma-L-Glutamyl-L-pipecolic acid)

PDB for CFc000019515 (gamma-L-Glutamyl-L-pipecolic acid)

3D PDB for CFc000019515 (gamma-L-Glutamyl-L-pipecolic acid)

SMILES for CFc000019515 (gamma-L-Glutamyl-L-pipecolic acid)

INCHI for CFc000019515 (gamma-L-Glutamyl-L-pipecolic acid)

Structure for CFc000019515 (gamma-L-Glutamyl-L-pipecolic acid)

3D Structure for CFc000019515 (gamma-L-Glutamyl-L-pipecolic acid)