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CHEBI:60888 - BAPTA

Default Structure
ChEBI IDCHEBI:60888
ChEBI NameBAPTA
Stars
DefinitionA polyamino carboxylic acid in which bis(carboxymethyl)nitrilo groups are bonded to C-2 and C-2' of 1,1'-[ethane-1,2-diylbis(oxy)]dibenzene.
Last Modified5 January 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H24N2O10
Net Charge0
Average Mass476.438
Monoisotopic Mass476.14309
SMILESO=C(O)CN(CC(=O)O)c1ccccc1OCCOc1ccccc1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C22H24N2O10/c25-19(26)11-23(12-20(27)28)15-5-1-3-7-17(15)33-9-10-34-18-8-4-2-6-16(18)24(13-21(29)30)14-22(31)32/h1-8H,9-14H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKeyFTEDXVNDVHYDQW-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
chelator  A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
BAPTA (CHEBI:60888) has role chelator (CHEBI:38161)
BAPTA (CHEBI:60888) is a polyamino carboxylic acid (CHEBI:60892)
BAPTA (CHEBI:60888) is a tetracarboxylic acid (CHEBI:35742)
Incoming Relation(s)
5,5'-dibromo-BAPTA (CHEBI:60890) has functional parent BAPTA (CHEBI:60888)
5,5'-dimethyl-BAPTA (CHEBI:60889) has functional parent BAPTA (CHEBI:60888)
IUPAC Name 
2,2',2'',2'''-[ethane-1,2-diylbis(oxy-2,1-phenylenenitrilo)]tetraacetic acid
Synonyms  Source
1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acidChemIDplus
1,2-Bis(o-aminophenoxy)ethane-N,N,N',N'-tetraacetic acidChemIDplus
BapetaChemIDplus
Registry NumbersSources
Reaxys:5192406Reaxys
CAS:85233-19-8ChemIDplus