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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
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
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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 (Br
o
nsted 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'''-
{[(2
S
)-
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