iron(III) citrate (CHEBI:144421)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	iron(III) citrate

ChEBI ID	CHEBI:144421

Definition	An iron chelate resulting from the combination of iron(3+) and citrate(3−).

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

Submitter	Sandra Orchard

Supplier Information

Download	Molfile XML SDF

more structures >>

Wikipedia	License

Read full article at Wikipedia

Formula

C6H5FeO7

Net Charge

Average Mass

244.944

Monoisotopic Mass

244.93846

InChI

InChI=1S/C6H8O7.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3

InChIKey

NPFOYSMITVOQOS-UHFFFAOYSA-K

SMILES

C12(CC(O[Fe](OC(C1)=O)OC2=O)=O)O

Roles Classification
Application(s):	anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. nutraceutical A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.

ChEBI Ontology
Outgoing	iron(III) citrate (CHEBI:144421) has part citrate(3−) (CHEBI:16947) iron(III) citrate (CHEBI:144421) has part iron(3+) (CHEBI:29034) iron(III) citrate (CHEBI:144421) has role anti-anaemic agent (CHEBI:75835) iron(III) citrate (CHEBI:144421) has role nutraceutical (CHEBI:50733) iron(III) citrate (CHEBI:144421) is a iron chelate (CHEBI:5975)

Incoming	iron(III) citrate monohydrate (CHEBI:144434) has part iron(III) citrate (CHEBI:144421)

IUPAC Names

[2-hydroxypropane-1,2,3-tricarboxylato(3−)-κ³O¹,O²,O³]iron

iron(3+) 2-hydroxypropane-1,2,3-tricarboxylate

Registry Number	Type	Source
3522-50-7	CAS Registry Number	ChemIDplus

Last Modified

09 August 2019

General Comment
2019-08-09	The structure of iron(III) citrate is not well defined. Several different complexes exist and the ratio between iron(3+) and citrate(3−) is not always 1:1.