Bovine Metabolome Database: Showing metabocard for Glutamylaspartic acid (BMDB0063867)

Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2020-03-03 19:27:11 UTC

Update Date

2020-04-22 15:55:37 UTC

BMDB ID

BMDB0063867

Secondary Accession Numbers

BMDB63867

Metabolite Identification

Common Name

Glutamylaspartic acid

Description

Glutamylaspartic acid, also known as a-glutamylaspartate or alpha-L-glu-L-asp, belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Based on a literature review a significant number of articles have been published on Glutamylaspartic acid.

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
alpha-Glu-asp	ChEBI
alpha-Glutamylaspartic acid	ChEBI
alpha-L-Glu-L-asp	ChEBI
E-D	ChEBI
ED	ChEBI
L-Glu-L-asp	ChEBI
a-Glu-asp	Generator
Α-glu-asp	Generator
a-Glutamylaspartate	Generator
a-Glutamylaspartic acid	Generator
alpha-Glutamylaspartate	Generator
Α-glutamylaspartate	Generator
Α-glutamylaspartic acid	Generator
a-L-Glu-L-asp	Generator
Α-L-glu-L-asp	Generator
Glutamylaspartate	Generator
e-D Dipeptide	HMDB
ED dipeptide	HMDB
Glu-asp	HMDB
Glutamate aspartate dipeptide	HMDB
Glutamate-aspartate dipeptide	HMDB
L-Glutamyl-L-aspartate	HMDB
Α-L-glutamyl-L-aspartic acid	HMDB
Α-L-glutamyl-L-aspartate	HMDB
L-Α-glutamyl-L-aspartic acid	HMDB
L-Α-glutamyl-L-aspartate	HMDB
N-Α-glutamylaspartic acid	HMDB
N-Α-glutamylaspartate	HMDB
N-Α-L-glutamyl-L-aspartic acid	HMDB
N-Α-L-glutamyl-L-aspartate	HMDB
N-L-Α-glutamylaspartic acid	HMDB
N-L-Α-glutamylaspartate	HMDB
N-L-Α-glutamyl-L-aspartic acid	HMDB
N-L-Α-glutamyl-L-aspartate	HMDB
alpha-L-Glutamyl-L-aspartic acid	HMDB
alpha-L-Glutamyl-L-aspartate	HMDB
L-alpha-Glutamyl-L-aspartic acid	HMDB
L-alpha-Glutamyl-L-aspartate	HMDB
N-alpha-Glutamylaspartic acid	HMDB
N-alpha-Glutamylaspartate	HMDB
N-alpha-L-Glutamyl-L-aspartic acid	HMDB
N-alpha-L-Glutamyl-L-aspartate	HMDB
N-L-alpha-Glutamyaspartic acid	HMDB
N-L-alpha-Glutamylaspartate	HMDB
N-L-alpha-Glutamyl-L-aspartic acid	HMDB
N-L-alpha-Glutamyl-L-aspartate	HMDB
NSC 186905	HMDB
L-Glutamyl-L-aspartic acid	HMDB
N-Glutamylaspartic acid	HMDB
N-Glutamylaspartate	HMDB
N-L-Glutamyl-L-aspartic acid	HMDB
N-L-Glutamyl-L-aspartate	HMDB
Glutamyl-aspartic acid	HMDB
Glutamyl-aspartate	HMDB
Glutamic acid aspartic acid dipeptide	HMDB
Glutamic acid aspartate dipeptide	HMDB
Glutamate aspartic acid dipeptide	HMDB
Glutamic acid-aspartic acid dipeptide	HMDB
Glutamic acid-aspartate dipeptide	HMDB
Glutamate-aspartic acid dipeptide	HMDB
Glutamylaspartic acid	HMDB, ChEBI

Chemical Formula

C₉H₁₄N₂O₇

Average Molecular Weight

262.218

Monoisotopic Molecular Weight

262.080100799

IUPAC Name

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

Traditional Name

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

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C9H14N2O7/c10-4(1-2-6(12)13)8(16)11-5(9(17)18)3-7(14)15/h4-5H,1-3,10H2,(H,11,16)(H,12,13)(H,14,15)(H,17,18)/t4-,5-/m0/s1

InChI Key

FYYSIASRLDJUNP-WHFBIAKZSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Hybrid peptides

Direct Parent

Hybrid peptides

Alternative Parents

Substituents

Hybrid peptide
Aspartic acid or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Acyl-l-homoserine
Acyl-homoserine
Gamma amino acid or derivatives
Alpha-amino acid or derivatives
Tricarboxylic acid or derivatives
Amino fatty acid
Fatty acyl
Amino acid or derivatives
Amino acid
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid derivative
Carboxylic acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Amine
Organic nitrogen compound
Primary aliphatic amine
Organopnictogen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Primary amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:73503 )

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	-3.2	ALOGPS
logP	-4.6	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	2.98	ChemAxon
pKa (Strongest Basic)	8.45	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	8	ChemAxon
Refractivity	54.62 m³·mol⁻¹	ChemAxon
Polarizability	23.63 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	Not Available	View in JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-0390000000-820e080ca9de71f47a7c	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0uy1-7950000000-b89b56e96e286b1ff5c8	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9100000000-e98b8e83c22cafe04cf9	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03xu-0190000000-e5e3a9dddb857f35c13d	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0295-1970000000-c942b81c045e4b9e6919	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-06s9-7910000000-c3253f947c209d19f9b5	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-01q9-0950000000-70395b50e44b3b5a1998	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0f89-7900000000-9e4404be522432a6bb9f	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9300000000-8f389f9d50d8ac10d40f	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03dl-0790000000-b2a0c941cec030091ff2	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-6900000000-f971c08b29482ef40f13	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000i-9200000000-b727e24915b51b47c69a	View in MoNA
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer

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

HMDB0028815

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111860

KNApSAcK ID

Not Available

Chemspider ID

90091

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

99716

PDB ID

Not Available

ChEBI ID

73503

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Glutamylaspartic acid (BMDB0063867)

Structure for BMDB0063867 (Glutamylaspartic acid)