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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:
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.
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.
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