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CHEBI:132766 - sodium nitrilotriacetate

ChEBI IDCHEBI:132766
ChEBI Namesodium nitrilotriacetate
Stars
DefinitionAn organic sodium salt composed of sodium and nitrilotriacetate ions in a 3:1 ratio.
Last Modified20 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC6H6NO6.3Na
Net Charge0
Average Mass257.085
Monoisotopic Mass256.98882
SMILESO=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H9NO6.3Na/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*+1/p-3
InChIKeyDZCAZXAJPZCSCU-UHFFFAOYSA-K
Roles Classification
Biological Roles:
nephrotoxic agent  A role played by any chemical compound (natural or synthetic) exhibiting itself through the ability to induce damage to the kidneys.
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)
sodium nitrilotriacetate (CHEBI:132766) has part nitrilotriacetate(3−) (CHEBI:25548)
sodium nitrilotriacetate (CHEBI:132766) has role carcinogenic agent (CHEBI:50903)
sodium nitrilotriacetate (CHEBI:132766) has role nephrotoxic agent (CHEBI:50909)
sodium nitrilotriacetate (CHEBI:132766) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
trisodium 2,2',2''-nitrilotriacetate
Synonyms  Source
Trisodium N,N-bis(carboxymethyl)glycinateChemIDplus
Trisodium NTAChemIDplus
Trisodium aminotriacetateChemIDplus
Nitrilotriacetic acid sodium saltChemIDplus
NTA Trisodium saltChemIDplus
N,N-Bis(carboxymethyl)glycine, trisodium saltChemIDplus
Registry NumbersSources
Reaxys:3774022Reaxys
CAS:5064-31-3ChemIDplus
Citations