ChemFOnt: Showing chemical card for Na-L-Glutamyl-L-aspartic acid (CFc000011626)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:59:26 UTC

Chemfont ID

CFc000011626

Molecule Identification

Common Name

Na-L-Glutamyl-L-aspartic acid

Definition

Na-L-Glutamyl-L-aspartic acid is found in pulses. Na-L-Glutamyl-L-aspartic acid is found in soybea

Structure

MOL SDF PDB SMILES InChI

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

3918-84-1

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 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0030413)
Cytoplasm (HMDB: HMDB0030413)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0030413)

Source

Endogenous

Endogenous (HMDB: HMDB0030413)

Plant

Fabaceae (HMDB: HMDB0030413)

Exogenous

Food

Food (HMDB: HMDB0030413)

Pulse

Pulses (FooDB: FOOD00867)

Exogenous (HMDB: HMDB0030413)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	9.23 g/L	ALOGPS
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	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

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

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Na-L-Glutamyl-L-aspartic acid (CFc000011626)

MOL for CFc000011626 (Na-L-Glutamyl-L-aspartic acid)

3D MOL for CFc000011626 (Na-L-Glutamyl-L-aspartic acid)

3D SDF for CFc000011626 (Na-L-Glutamyl-L-aspartic acid)

3D-SDF for CFc000011626 (Na-L-Glutamyl-L-aspartic acid)

PDB for CFc000011626 (Na-L-Glutamyl-L-aspartic acid)

3D PDB for CFc000011626 (Na-L-Glutamyl-L-aspartic acid)

SMILES for CFc000011626 (Na-L-Glutamyl-L-aspartic acid)

INCHI for CFc000011626 (Na-L-Glutamyl-L-aspartic acid)

Structure for CFc000011626 (Na-L-Glutamyl-L-aspartic acid)

3D Structure for CFc000011626 (Na-L-Glutamyl-L-aspartic acid)