Showing Compound gamma-L-Glutamyl-L-pipecolic acid (FDB018008)

Record Information

Version

1.0

Creation date

2010-04-08 22:13:27 UTC

Update date

2019-11-26 03:15:33 UTC

Primary ID

FDB018008

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

gamma-L-Glutamyl-L-pipecolic acid

Description

gamma-L-Glutamyl-L-pipecolic acid, also known as g-L-glutamyl-L-pipecolate, 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. gamma-L-Glutamyl-L-pipecolic acid has been detected, but not quantified in, green vegetables. This could make gamma-L-glutamyl-L-pipecolic acid a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on gamma-L-Glutamyl-L-pipecolic acid.

CAS Number

Not Available

Structure

MOL SDF PDB SMILES InChI

Synonyms

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Synonym	Source
1-(4-Amino-4-carboxybutanoyl)piperidine-2-carboxylate	Generator
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

Showing 1 to 6 of 6 entries

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

Chemical Formula

C11H18N2O5

IUPAC name

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

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

Isomeric SMILES

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

Average Molecular Weight

258.271

Monoisotopic Molecular Weight

258.121571696

Classification

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

Ontology

Disposition

Route of exposure:

Enteral:

Ingestion

Source:

Food

Biological:

Plant

Biological location:

Subcellular:

Cytoplasm

Cell and elements:

Extracellular

Role

Biological role:

Nutrient

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

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Property	Value	Reference
Boiling Point	Not Available
Charge	Not Available
Density	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Experimental Water Solubility	Not Available
Isoelectric point	Not Available
Mass Composition	C 51.16%; H 7.02%; N 10.85%; O 30.97%	DFC
Melting Point	Not Available
Optical Rotation	[a]20D -66.8 (c, 0.5 in H2O)	DFC

Showing 1 to 10 of 14 entries

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	gamma-L-Glutamyl-L-pipecolic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-02bf-9430000000-27e1c9d24fd0ba2e4e35	Spectrum
Predicted GC-MS	gamma-L-Glutamyl-L-pipecolic acid, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive	splash10-00n0-7491000000-2abaa5937e009d2c9b52	Spectrum
Predicted GC-MS	gamma-L-Glutamyl-L-pipecolic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-08fr-0490000000-13b9a4f079afc7e495fe	2016-06-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03ea-3950000000-c348f2a015f74af01662	2016-06-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-053r-9500000000-9b2f1bbe09f76d62a52f	2016-06-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0bt9-0290000000-be81e9ef62a9c1d3f6f2	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03fr-3980000000-742741e2b5700920d3bd	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001l-9700000000-1922eeec95820654479e	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-002r-0890000000-28abcdf27cae21d8bc41	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-2910000000-7e842f1db0df144160bc	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-01t9-5900000000-e89ff87cbcb9d2b62bea	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4i-0190000000-eb1361ed45c731b030b3	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-7930000000-91c7aca764ddf3857ddc	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9200000000-e825f8acf2dd895cd8bc	2021-09-22	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

Not Available

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB38614

CRC / DFC (Dictionary of Food Compounds) ID

BDK62-V:LDL35-A

EAFUS ID

Not Available

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

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Food	Content Range	Average	Reference

No data available in table

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Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Not Available

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

Showing Compound gamma-L-Glutamyl-L-pipecolic acid (FDB018008)

Structure for FDB018008 (gamma-L-Glutamyl-L-pipecolic acid)