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Fe(III)dicitrate

MNXM57763 is deprecated and here replaced by MNXM1107801
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107801 Image of MNXM1107801
referencebiggM:fe3dcit
formulaC12H22FeO14
global charge0
mol weight446.139
InChIKeyISOHCBXAFHMIHK-UHFFFAOYSA-N
InChIInChI=1S/2C6H11O7.Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*3-5,7,9,11,13H,1-2H2;/q2*-3;+6
SMILESOC1CC2(O)CC(O)O[Fe]34(O1)(OC(O)CC(O)(CC(O)O3)C(O)O4)OC2O
MNX internals
InChI (mnx)InChI=1/2C6H11O7.Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*3-5,7,9,11,13H,1-2H2;/q2*-3;+6/t2*3?,4?,5?,6?; Image of MNXM1107801
SMILES (mnx)[CH2:14]([CH:16]([OH:20])[O-:21])[C:19]([CH2:15][CH:17]([OH:22])[O-:23])([CH:18]([OH:24])[O-:25])[OH:26].[CH2:1]([CH:3]([OH:7])[O-:8])[C:6]([CH2:2][CH:4]([OH:9])[O-:10])([CH:5]([OH:11])[O-:12])[OH:13].[Fe+6:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 12
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:fe3dcit
biggM:fe3dcit
ISOHCBXAFHMIHK-UHFFFAOYSA-N 		Fe(III)dicitrate

seed.compound:cpd03725
seedM:cpd03725
VAVAILGEOMLRRK-UHFFFAOYSA-H 		Fe(III)dicitrate
Fe(Cit)2
Iron(III)dicitrate
fe3dcit
ferric dicitrate
ferric dicitrate complex
iron (III) dicitrate
iron dicitrate
iron(III) dicitrate

biggM:M_fe3dcit
seedM:M_cpd03725 		secondary/obsolete/fantasy identifier