ChemFOnt: Showing chemical card for Egtazic acid (CFc000231250)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:59:28 UTC

Chemfont ID

CFc000231250

Molecule Identification

Common Name

Egtazic acid

Definition

ethylene glycol bis(2-aminoethyl)tetraacetic acid, also known as EGTA or [ethylenebis(oxyethylenenitrilo)]tetraacetic acid, belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. ethylene glycol bis(2-aminoethyl)tetraacetic acid is a very strong basic compound (based on its pKa). A diether that is ethylene glycol in which the hydrogens of the hydroxy groups have been replaced by 2-ethyl group respectively.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
3,12-Bis(carboxymethyl)-6,9-dioxa-3,12-diazatetradecanedioic acid	ChEBI
[Ethylenebis(oxyethylenenitrilo)]tetraacetic acid	ChEBI
EGTA	ChEBI
Egtazic acid	ChEBI
Ethylene glycol bis(beta-aminoethyl ether)-N,N,n',n'-tetraacetic acid	ChEBI
Ethylene glycol-O,o'-bis(2-aminoethyl)-N,N,n',n'-tetraacetic acid	ChEBI
H4EGta	ChEBI
3,12-Bis(carboxymethyl)-6,9-dioxa-3,12-diazatetradecanedioate	Generator
[Ethylenebis(oxyethylenenitrilo)]tetraacetate	Generator
Egtazate	Generator
Ethylene glycol bis(b-aminoethyl ether)-N,N,n',n'-tetraacetate	Generator
Ethylene glycol bis(b-aminoethyl ether)-N,N,n',n'-tetraacetic acid	Generator
Ethylene glycol bis(beta-aminoethyl ether)-N,N,n',n'-tetraacetate	Generator
Ethylene glycol bis(β-aminoethyl ether)-N,N,n',n'-tetraacetate	Generator
Ethylene glycol bis(β-aminoethyl ether)-N,N,n',n'-tetraacetic acid	Generator
Ethylene glycol-O,o'-bis(2-aminoethyl)-N,N,n',n'-tetraacetate	Generator
Ethylene glycol bis(2-aminoethyl)tetraacetate	Generator
2-[2-[2-[2-[Bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetate	Generator
Acid, egtazic	MeSH
Magnesium egta	MeSH
GEDTA	MeSH
Egtazic acid sodium salt	MeSH
Ethylene glycol bis(2-aminoethyl ether)tetraacetic acid	MeSH
Magnesium-egta	MeSH
Tetrasodium egta	MeSH
Egtazic acid disodium salt	MeSH
EGATA	MeSH
Glycoletherdiamine-N,N,n',n'-tetraacetic acid	MeSH
EGTA, tetrasodium	MeSH
Egtazic acid potassium salt	MeSH
Ethylene glycol tetraacetic acid	MeSH
Ethylenebis(oxyethylenenitrile)tetraacetic acid	MeSH

Chemical Formula

C₁₄H₂₄N₂O₁₀

Average Molecular Weight

380.35

Monoisotopic Molecular Weight

380.143094981

IUPAC Name

3,12-bis(carboxymethyl)-6,9-dioxa-3,12-diazatetradecanedioic acid

Traditional Name

EGTA

CAS Registry Number

67-42-5

SMILES

OC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O

InChI Identifier

InChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)

InChI Key

DEFVIWRASFVYLL-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tetracarboxylic acids and derivatives

Direct Parent

Tetracarboxylic acids and derivatives

Alternative Parents

Substituents

Tetracarboxylic acid or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
Amino acid or derivatives
Amino acid
Tertiary aliphatic amine
Tertiary amine
Carboxylic acid
Dialkyl ether
Ether
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

tertiary amino compound (CHEBI:30740 )
tetracarboxylic acid (CHEBI:30740 )
diether (CHEBI:30740 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	2.57 g/L	ALOGPS
logP	-0.9	ALOGPS
logP	-7.2	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	2.16	ChemAxon
pKa (Strongest Basic)	7.45	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	174.14 Å²	ChemAxon
Rotatable Bond Count	17	ChemAxon
Refractivity	84.43 m³·mol⁻¹	ChemAxon
Polarizability	37.13 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

EGTA_(chemical)

METLIN ID

Not Available

PubChem Compound

6207

PDB ID

Not Available

ChEBI ID

30740

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Egtazic acid (CFc000231250)

MOL for CFc000231250 (Egtazic acid)

3D MOL for CFc000231250 (Egtazic acid)

3D SDF for CFc000231250 (Egtazic acid)

3D-SDF for CFc000231250 (Egtazic acid)

PDB for CFc000231250 (Egtazic acid)

3D PDB for CFc000231250 (Egtazic acid)

SMILES for CFc000231250 (Egtazic acid)

INCHI for CFc000231250 (Egtazic acid)

Structure for CFc000231250 (Egtazic acid)

3D Structure for CFc000231250 (Egtazic acid)