EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:132317 - EDTA monocalcium salt

ChEBI IDCHEBI:132317
ChEBI NameEDTA monocalcium salt
Stars
DefinitionAn organic calcium salt that is the monocalcium salt of ethylenediaminetetraacetic acid (EDTA).
Last Modified12 January 2017
Submittermwilliams
DownloadsMolfile
FormulaC10H14N2O8.Ca
Net Charge0
Average Mass330.306
Monoisotopic Mass330.03761
SMILESO=C([O-])C[NH+](CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2]
InChIInChI=1S/C10H16N2O8.Ca/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);/q;+2/p-2
InChIKeyNVTRPRFAWJGJAJ-UHFFFAOYSA-L
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940)
- PubMed (24937646)
- MetaboLights (MTBLS77)
Roles Classification
Chemical Role:
chelator  A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
ChEBI Ontology
Outgoing Relation(s)
EDTA monocalcium salt (CHEBI:132317) has part EDTA(2−) (CHEBI:64755)
EDTA monocalcium salt (CHEBI:132317) has role chelator (CHEBI:38161)
EDTA monocalcium salt (CHEBI:132317) is a organic calcium salt (CHEBI:51031)
IUPAC Name 
calcium 2,2',2'',2'''-(ethane-1,2-diyldiazaniumyl)tetraacetate
Synonyms  Source
Calcium dihydrogen ethylenediaminetetraacetateChemIDplus
Edetate monocalciumChemIDplus
Manual XrefsDatabases
2628914ChemSpider
Registry NumbersSources
CAS:12264-18-5ChemIDplus