Bovine Metabolome Database: Showing metabocard for Gamma Glutamylglutamic acid (BMDB0011737)

Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-10-03 18:23:46 UTC

Update Date

2020-05-05 18:38:31 UTC

BMDB ID

BMDB0011737

Secondary Accession Numbers

BMDB11737

Metabolite Identification

Common Name

Gamma Glutamylglutamic acid

Description

gamma-Glutamylglutamic acid, also known as g-glutamylglutamate or gamma-L-glu-L-glu, belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review a small amount of articles have been published on gamma-Glutamylglutamic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(5-L-Glutamyl)-L-glutamate	ChEBI
gamma-Glutamylglutamate	ChEBI
gamma-L-Glu-L-glu	ChEBI
(5-L-Glutamyl)-L-glutamic acid	Generator
g-Glutamylglutamate	Generator
g-Glutamylglutamic acid	Generator
Γ-glutamylglutamate	Generator
Γ-glutamylglutamic acid	Generator
g-L-Glu-L-glu	Generator
Γ-L-glu-L-glu	Generator
γ-Glu-Glu	HMDB, Generator
γ-L-Glutamyl-L-glutamic acid	HMDB
γ-L-Glutamyl-L-glutamate	HMDB
L-γ-Glutamyl-L-glutamic acid	HMDB
L-γ-Glutamyl-L-glutamate	HMDB
N-γ-Glutamylglutamic acid	HMDB
N-γ-Glutamylglutamate	HMDB
N-L-γ-Glutamylglutamic acid	HMDB
N-L-γ-Glutamylglutamate	HMDB
N-L-γ-Glutamyl-L-glutamic acid	HMDB
N-L-γ-Glutamyl-L-glutamate	HMDB
gamma-Glu-Glu	HMDB
gamma-L-Glutamyl-L-glutamic acid	HMDB
gamma-L-Glutamyl-L-glutamate	HMDB, MeSH
L-gamma-Glutamyl-L-glutamic acid	HMDB
L-gamma-Glutamyl-L-glutamate	HMDB
N-gamma-Glutamylglutamic acid	HMDB
N-gamma-Glutamylglutamate	HMDB
N-L-gamma-Glutamylglutamic acid	HMDB
N-L-gamma-Glutamylglutamate	HMDB
N-L-gamma-Glutamyl-L-glutamic acid	HMDB
N-L-gamma-Glutamyl-L-glutamate	HMDB
gamma-Glutamylglutamic acid	HMDB, Generator
N-gamma-L-Glutamyl-L-glutamic acid	HMDB
N-γ-L-Glutamyl-L-glutamic acid	HMDB
N-γ-L-Glutamyl-L-glutamate	HMDB
N-gamma-L-Glutamyl-L-glutamate	HMDB
g-Glu-Glu	Generator, HMDB

Chemical Formula

C₁₀H₁₆N₂O₇

Average Molecular Weight

276.2432

Monoisotopic Molecular Weight

276.095750876

IUPAC Name

(2S)-2-[(4S)-4-amino-4-carboxybutanamido]pentanedioic acid

Traditional Name

(2S)-2-[(4S)-4-amino-4-carboxybutanamido]pentanedioic acid

CAS Registry Number

1116-22-9

SMILES

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

InChI Identifier

InChI=1S/C10H16N2O7/c11-5(9(16)17)1-3-7(13)12-6(10(18)19)2-4-8(14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1

InChI Key

OWQDWQKWSLFFFR-WDSKDSINSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Glutamic acid and derivatives

Alternative Parents

Substituents

Glutamic acid or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid
L-alpha-amino acid
Tricarboxylic acid or derivatives
Amino acid
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Primary aliphatic amine
Amine
Organic nitrogen compound
Primary amine
Organic oxide
Carbonyl group
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:73705 )

Ontology

Status

Detected but not Quantified

Origin

Endogenous

Biofunction

Not Available

Application

Not Available

Cellular locations

Not Available

Physical Properties

State

Solid

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	-3.2	ALOGPS
logP	-4.2	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	1.93	ChemAxon
pKa (Strongest Basic)	9.31	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	167.02 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	59.38 m³·mol⁻¹	ChemAxon
Polarizability	25.7 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-8980000000-c8c0b54fc15030f5841c	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive	splash10-00fr-9312500000-c72536369df669353d9d	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0bu0-0290000000-592fb5f429b41997ab76	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01qi-1970000000-59bdd45c864061db9cc6	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0pbi-8900000000-cb73f5bd87a0c84079a7	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-056r-0090000000-f4414191d2e0ea5be2cb	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-06wa-0790000000-7c95724920f7099837c5	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0umm-7900000000-fe5d6785afd470fc15bd	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a6r-0390000000-08973a14263b8e83faf2	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0f9t-0930000000-c59c51838d5d081582c7	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0udm-6900000000-ba02e8ecf2007c67a4f7	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001j-1930000000-ee6ad392744bfd67a809	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9400000000-217d087b871c25c7923a	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9200000000-3bc2da25a838b394fa08	View in MoNA
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Liver

Pathways

Not Available

Name	SMPDB/Pathwhiz	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Liver	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	PMID: 31867104	details

Abnormal Concentrations

Not Available

External Links

HMDB ID

HMDB0011737

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB028415

KNApSAcK ID

Not Available

Chemspider ID

83831

KEGG Compound ID

C05282

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

92865

PDB ID

Not Available

ChEBI ID

73705

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Gamma Glutamylglutamic acid (BMDB0011737)

Structure for BMDB0011737 (Gamma Glutamylglutamic acid)