Ketcher 08091914422D 1   1.00000     0.00000     0

 14 15  0     0  0            999 V2000
    5.7505   -7.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1380   -6.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0734   -6.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0088   -6.5605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0734   -5.1607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1380   -8.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0734   -8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0088   -8.4313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0734   -9.8312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3962   -7.4959    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -7.3756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5738   -7.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3311   -7.9648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8769   -6.6359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  3  5  2  0     0  0
  2  1  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  7  9  2  0     0  0
  6  1  1  0     0  0
  4 10  1  0     0  0
 10  8  1  0     0  0
  1 11  1  0     0  0
  1 12  1  0     0  0
 12 13  1  0     0  0
 12 14  2  0     0  0
 10 13  1  0     0  0
M  END
> <ID>
CHEBI:144421

> <NAME>
iron(III) citrate

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

> <STAR>
3

> <SYNONYM>
KRX-0502; iron(III) citrate; ferric citrate anhydrous; ferric citrate; Fe(3+)-citrate

> <IUPAC_NAME>
iron(3+) 2-hydroxypropane-1,2,3-tricarboxylate; [2-hydroxypropane-1,2,3-tricarboxylato(3-)-kappa(3)O(1),O(2),O(3)]iron

> <BRAND_NAME>
Zerenex; Auryxia

> <FORMULA>
C6H5FeO7

> <MASS>
244.944

> <MONOISOTOPIC_MASS>
244.93846

> <CHARGE>
0

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

> <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

> <CAS_REGISTRY_NUMBER>
3522-50-7

> <CHEMIDPLUS>
3522-50-7

> <WIKIPEDIA_ACCESSION>
Iron(III)_citrate

> <PUBMED_CITATION>
11872840; 19557539; 19809738; 21561126; 22272265; 23075669; 23147696; 25060056; 31134521

$$$$