iron(III) dicitrate(3-) (CHEBI:4991)

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ChEBI Name	iron(III) dicitrate(3−)

ChEBI ID	CHEBI:4991

ChEBI ASCII Name	iron(III) dicitrate(3-)

Definition	The complex formed between iron(III) and citrate.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C12H10FeO14

Net Charge

-3

Average Mass

434.045

Monoisotopic Mass

433.94364

InChI

InChI=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

InChIKey

VAVAILGEOMLRRK-UHFFFAOYSA-H

SMILES

O1C([C@@]2(O)CC(O[Fe-3]341(OC([C@](O)(CC(O3)=O)CC(O4)=O)=O)OC(C2)=O)=O)=O

Metabolite of Species	Details
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

ChEBI Ontology
Outgoing	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-)

Citation	Type	Source
11872840	PubMed citation	Europe PMC

Last Modified

09 January 2019