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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:63131 - EDTA(3−)
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ChEBI Name
EDTA(3−)
ChEBI ID
CHEBI:63131
ChEBI ASCII Name
EDTA(3-)
Definition
A tetracarboxylic acid anion formed by deprotonation of three of the four carboxy groups in ethylenediaminetetraacetic acid (EDTA).
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This entity has been manually annotated by the ChEBI Team.
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Formula
C10H13N2O8
Net Charge
-3
Average Mass
289.21880
Monoisotopic Mass
289.06884
InChI
InChI=1S/C10H16N2O8/c13-
7(14)
3-
11(4-
8(15)
16)
1-
2-
12(5-
9(17)
18)
6-
10(19)
20/h1-
6H2,(H,13,14)
(H,15,16)
(H,17,18)
(H,19,20)
/p-
3
InChIKey
KCXVZYZYPLLWCC-UHFFFAOYSA-K
SMILES
OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
ChEBI Ontology
Outgoing
EDTA(3−) (
CHEBI:63131
)
is a
tetracarboxylic acid anion (
CHEBI:35754
)
EDTA(3−) (
CHEBI:63131
)
is conjugate acid of
EDTA(4−) (
CHEBI:42191
)
EDTA(3−) (
CHEBI:63131
)
is conjugate base of
EDTA(2−) (
CHEBI:64755
)
Incoming
EDTA trisodium salt (
CHEBI:63125
)
has part
EDTA(3−) (
CHEBI:63131
)
EDTA(2−) (
CHEBI:64755
)
is conjugate acid of
EDTA(3−) (
CHEBI:63131
)
EDTA(4−) (
CHEBI:42191
)
is conjugate base of
EDTA(3−) (
CHEBI:63131
)
IUPAC Name
2,2'-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}imino)diacetate
Last Modified
16 January 2023