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Preferred Name

(S)-1-(4-bromoacetamidobenzyl)EDTA
Synonyms

2,2',2'',2'''-{[(2S)-3-{4-[(bromoacetyl)amino]phenyl}propane-1,2-diyl]dinitrilo}tetraacetic acid

1-(para-Bromoacetamidobenzyl)edta

N-4-(2,3-Bis(bis(carboxymethyl)amino)propyl)phenyl bromoacetamide

Fe-BABE

2-[[(2S)-1-[bis(carboxymethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl] propan-2-yl]-(carboxymethyl)amino]acetic acid
Definitions

A tetracarboxylic acid consisting of ethylenediaminetetraacetic acid having a 4-bromoacetamidobenzyl group at the C1-position and (S)-configuration.
ID

http://purl.obolibrary.org/obo/CHEBI_59055
charge

0
database_cross_reference

Beilstein:7236603

CAS:81677-64-7
definition

A tetracarboxylic acid consisting of ethylenediaminetetraacetic acid having a 4-bromoacetamidobenzyl group at the C1-position and (S)-configuration.
formula

C19H24BrN3O9
has role

http://purl.obolibrary.org/obo/CHEBI_38161
has_exact_synonym

2,2',2'',2'''-{[(2S)-3-{4-[(bromoacetyl)amino]phenyl}propane-1,2-diyl]dinitrilo}tetraacetic acid
has_obo_namespace

chebi_ontology
has_related_synonym

1-(para-Bromoacetamidobenzyl)edta

N-4-(2,3-Bis(bis(carboxymethyl)amino)propyl)phenyl bromoacetamide

Fe-BABE

2-[[(2S)-1-[bis(carboxymethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl] propan-2-yl]-(carboxymethyl)amino]acetic acid
id

CHEBI:59055
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
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
label

(S)-1-(4-bromoacetamidobenzyl)EDTA
mass

518.31300
monoisotopicmass

517.06959
notation

CHEBI:59055
prefLabel

(S)-1-(4-bromoacetamidobenzyl)EDTA
smiles

OC(=O)CN(C[C@H](Cc1ccc(NC(=O)CBr)cc1)N(CC(O)=O)CC(O)=O)CC(O)=O
treeView

http://purl.obolibrary.org/obo/CHEBI_35742
subClassOf

http://purl.obolibrary.org/obo/CHEBI_35742
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http://purl.obolibrary.org/obo/CHEBI_59055 Ontology for Biomedical Investigations / 生物医学研究本体 LOOM
http://purl.obolibrary.org/obo/CHEBI_59055 Ontology for Biomedical Investigations / 生物医学研究本体 SAME_URI