CHEBI:59055 - (S)-1-(4-bromoacetamidobenzyl)EDTA

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ChEBI Name (S)-1-(4-bromoacetamidobenzyl)EDTA
ChEBI ID CHEBI:59055
ChEBI ASCII Name (S)-1-(4-bromoacetamidobenzyl)EDTA
Definition A tetracarboxylic acid consisting of ethylenediaminetetraacetic acid having a 4-bromoacetamidobenzyl group at the C1-position and (S)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Supplier Information
Download Molfile XML SDF
Formula C19H24BrN3O9
Net Charge 0
Average Mass 518.31300
Monoisotopic Mass 517.06959
InChI InChI=1S/C19H24BrN3O9/c20-6-15(24)21-13-3-1-12(2-4-13)5-14(23(10-18(29)30)11-19(31)32)7-22(8-16(25)26)9-17(27)28/h1-4,14H,5-11H2,(H,21,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)/t14-/m0/s1
InChIKey VOQPQBGCWBEYEV-AWEZNQCLSA-N
SMILES OC(=O)CN(C[C@H](Cc1ccc(NC(=O)CBr)cc1)N(CC(O)=O)CC(O)=O)CC(O)=O
Roles Classification
Chemical Role(s): chelator
A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-1-(4-bromoacetamidobenzyl)EDTA (CHEBI:59055) has role chelator (CHEBI:38161)
(S)-1-(4-bromoacetamidobenzyl)EDTA (CHEBI:59055) is a tetracarboxylic acid (CHEBI:35742)
IUPAC Name
2,2',2'',2'''-{[(2S)-3-{4-[(bromoacetyl)amino]phenyl}propane-1,2-diyl]dinitrilo}tetraacetic acid
Synonyms Sources
1-(para-Bromoacetamidobenzyl)edta ChemIDplus
2-[[(2S)-1-[bis(carboxymethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl] propan-2-yl]-(carboxymethyl)amino]acetic acid ChEBI
Fe-BABE SUBMITTER
N-4-(2,3-Bis(bis(carboxymethyl)amino)propyl)phenyl bromoacetamide ChemIDplus
Registry Numbers Types Sources
7236603 Beilstein Registry Number Beilstein
81677-64-7 CAS Registry Number ChemIDplus
Last Modified
28 March 2011