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CHEBI:4991 - iron(III) dicitrate(3−)

ChEBI IDCHEBI:4991
ChEBI Nameiron(III) dicitrate(3−)
Stars
ASCII Nameiron(III) dicitrate(3-)
DefinitionThe complex formed between iron(III) and citrate.
Last Modified9 January 2019
DownloadsMolfile
FormulaC12H10FeO14
Net Charge-3
Average Mass434.043
Monoisotopic Mass433.94364
SMILESO=C1C[C@]2(O)CC(=O)[O][Fe-3]34([O]1)([O]C(=O)C[C@](O)(CC(=O)[O]3)C(=O)[O]4)[O]C2=O
InChIInChI=1S/2C6H8O7.Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+3/p-6
InChIKeyVAVAILGEOMLRRK-UHFFFAOYSA-H
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
iron(III) dicitrate(3−) (CHEBI:4991) has functional parent citric acid (CHEBI:30769)
iron(III) dicitrate(3−) (CHEBI:4991) has role Escherichia coli metabolite (CHEBI:76971)
iron(III) dicitrate(3−) (CHEBI:4991) is a iron coordination entity (CHEBI:33892)
IUPAC Name 
bis[2-hydroxypropane-1,2,3-tricarboxylato(3-)-κ3O1,O2,O3]ferrate(3-)
Synonyms  Source
Fe(III)dicitrateKEGG COMPOUND
Iron(III)dicitrateKEGG COMPOUND
UniProt Name  Source
iron(III) dicitrateUniProt
Citations