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CHEBI:132238 - iron(III) nitrilotriacetate

Default Structure
ChEBI IDCHEBI:132238
ChEBI Nameiron(III) nitrilotriacetate
Stars
DefinitionAn iron chelate resulting from the combination of equimolar amounts of iron(3+) and nitrilotriacetate(3−).
Last Modified19 June 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC6H6FeNO6
Net Charge0
Average Mass243.960
Monoisotopic Mass243.95445
SMILESO=C1CN2CC(=O)[O][Fe]([O]1)[O]C(=O)C2
InChIInChI=1S/C6H9NO6.Fe/c8-4(9)1-7(2-5(10)11)3-6(12)13;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);/q;+3/p-3
InChIKeyFXDLIMJMHVKXAR-UHFFFAOYSA-K
Roles Classification
Biological Roles:
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
ChEBI Ontology
Outgoing Relation(s)
iron(III) nitrilotriacetate (CHEBI:132238) has part iron(3+) (CHEBI:29034)
iron(III) nitrilotriacetate (CHEBI:132238) has part nitrilotriacetate(3−) (CHEBI:25548)
iron(III) nitrilotriacetate (CHEBI:132238) has role carcinogenic agent (CHEBI:50903)
iron(III) nitrilotriacetate (CHEBI:132238) has role mutagen (CHEBI:25435)
iron(III) nitrilotriacetate (CHEBI:132238) is a iron chelate (CHEBI:5975)
IUPAC Names 
[2,2',2''-nitrilotriacetato-κO(3−)]iron
iron(3+) 2,2',2''-nitrilotriacetate
Synonyms  Source
(N,N-bis(carboxymethyl)glycinato(3−)-N,OO,O',OO')ironChemIDplus
ferric nitrilotriacetateChemIDplus
iron(3+) NTAChemIDplus
iron nitrilotriacetateChemIDplus
iron-nitrilotriacetate chelateChemIDplus
iron-nitrilotriacetic acid chelateChemIDplus
Registry NumbersSources
CAS:16448-54-7ChemIDplus
Citations