Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound: Fe2+

Synonyms: Fe+2, Fe++, ferrous iron, Fe+2, ferrous ion, fe(ii)

Superclasses: an ion a cation

Component of:
ferrous sulfate heptahydrate
iron sulfate

Chemical Formula: Fe

Molecular Weight: 55.847 Daltons

Monoisotopic Molecular Weight: 57.9505921642 Daltons

SMILES: [Fe++]

InChI: InChI=1S/Fe/q+2

InChIKey: InChIKey=CWYNVVGOOAEACU-UHFFFAOYSA-N

Unification Links: ChEBI:29033 , ChemSpider:25394 , HMDB:HMDB00692 , IAF1260:33552 , KEGG:C14818 , MetaboLights:MTBLC29033 , PubChem:27284

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -20.098238 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

ethylene biosynthesis III (microbes) :
hydrogen peroxide + Fe2+ → hydroxyl radical + Fe3+ + OH-
2 Fe2+ + 2 oxygen → 2 superoxide + 2 Fe3+

Fe(II) oxidation :
Fe3+[extracellular space] + a reduced rusticyanin[periplasmic space]Fe2+[extracellular space] + an oxidized rusticyanin[periplasmic space]

heme biosynthesis I (aerobic) , heme biosynthesis II (anaerobic) , superpathway of heme biosynthesis from uroporphyrinogen-III :
protoporphyrin IX + Fe2+ → ferroheme b + 2 H+

iron reduction and absorption :
2 Fe2+[extracellular space] → 2 Fe2+[cytosol]

reactive oxygen species degradation (mammalian) :
hydrogen peroxide + Fe2+ → hydroxyl radical + Fe3+ + OH-

siroheme amide biosynthesis :
siroamide + Fe2+ → siroheme amide + 2 H+

Not in pathways:
4 Fe2+ + 4 H+ + oxygen → 4 Fe3+ + 2 H2O
Fe2+ + nicotianamine → Fe(II)-nicotianamine

Reactions known to produce the compound:

ethylene biosynthesis III (microbes) , iron reduction and absorption :
an Fe(II)-siderophore + H+ → a siderophore + Fe2+

heme degradation , phycocyanobilin biosynthesis , phycoerythrobilin biosynthesis , phytochromobilin biosynthesis :
ferroheme b + 3 a reduced electron acceptor + 3 oxygen + 2 H+ → biliverdin-IX-α + Fe2+ + carbon monoxide + 3 an oxidized electron acceptor + 3 H2O

sulfur oxidation II (Fe+3-dependent) :
S-sulfanylglutathione + 4 Fe3+ + 3 H2O → sulfite + glutathione + 4 Fe2+ + 6 H+

Not in pathways:
L-ascorbate[in] + Fe3+[out] → monodehydroascorbate radical[in] + Fe2+[out]
ferroheme b + 4 a reduced electron acceptor + 4 oxygen + 2 H+ → 15-oxo-β-bilirubin + Fe2+ + carbon monoxide + 4 an oxidized electron acceptor + 4 H2O
ferroheme b + 4 a reduced electron acceptor + 4 oxygen + 2 H+ → 5-oxo-δ-bilirubin + Fe2+ + carbon monoxide + 4 an oxidized electron acceptor + 4 H2O
2 Fe2+ + 2 a siderophore + NADP+ + H+ ← 2 an Fe(III)-siderophore + NADPH
2 Fe2+ + 2 (2,3-dihydroxybenzoylserine)3 + NADP+ ← 2 ferric (2,3-dihydroxybenzoylserine)3 + NADPH + 9 H+

Reactions known to both consume and produce the compound:

siroheme biosynthesis :
sirohydrochlorin + Fe2+ ↔ siroheme + 2 H+

sulfur oxidation II (Fe+3-dependent) :
sulfite + 2 Fe3+ + H2O ↔ sulfate + 2 Fe2+ + 2 H+

Not in pathways:
Mo2+ + 7 Fe2+ + 9 S2- + (2R)-homocitrate + N2 + 3 H+ ↔ ammonium + Fe-Mo cofactor

In Reactions of unknown directionality:

Not in pathways:
Fe3+ + a reduced c-type cytochrome = Fe2+ + an oxidized c-type cytochrome
4 Fe2+ + oxygen + 6 H2O = 4 [FeO(OH)] monomer + 8 H+
2 Fe2+ + hydrogen peroxide + 2 H2O = 2 [FeO(OH)] monomer + 4 H+
2 Fe2+ + oxygen + 4 H2O = 2 [FeO(OH)] monomer + hydrogen peroxide + 4 H+

In Transport reactions:
Fe2+[cytosol] + H+[periplasmic space]Fe2+[periplasmic space] + H+[cytosol] ,
Fe2+[periplasmic space] + H+[periplasmic space]Fe2+[cytosol] + H+[cytosol] ,
Fe2+[periplasmic space]Fe2+[cytosol]

In Redox half-reactions:
Fe3+[out] + e-Fe2+[out] ,
Fe3+ + e-Fe2+

Enzymes activated by Fe2+, sorted by the type of activation, are:

Activator (Allosteric) of: L-sorbosone dehydrogenase [Hoshino91] , malonate semialdehyde:NADP+ oxidoreductase (malonate semialdehyde-forming) [Hugler02] , tryptophan 5-hydroxylase [Tipper94] , 4-sulfobenzoate 3,4-dioxygenase [Locher91] , DCD dehydrogenase [Saller95] , terephthalate 1,2-dioxygenase [Schlafli94] , 4-toluene-sulfonate monooxygenase [Locher91a] , 2-nitrobenzoate nitroreductase [Iwaki07] , 3-hydroxyanthranilate 3,4-dioxygenase [Muraki03] , trihydroxytoluene dioxygenase [Haigler99] , pyruvic oxime dioxygenase [Ono96] , glycerol-3-phosphate cytidylyltransferase [Park93] , carnitine monooxygenase [Ditullio94] , cis-benzene glycol dehydrogenase [Axcell73] , 4-aminoimidazole deaminase [Pricer56] , L-serine ammonia-lyase [Benziman60] , 4-ureido-5-imidazolecarboxylate amidohydrolase [Rabinowitz56] , thiosulfate reductase [Aketagawa85]

Activator (Non-allosteric) of: tyrosine 3-monooxygenase [Haavik91]

Activator (Mechanism unknown) of: D-altronate dehydratase [RobertBaudouy82, Smiley60, Dreyer87] , D-mannonate dehydratase [RobertBaudouy73, Dreyer87] , adenosylmethionine decarboxylase [Lu07] , 2-dehydro-3-deoxyphosphoheptonate aldolase [Ray91] , dimethyl sulfoxide reductase [Weiner88] , 1,3,6,8-tetrahydroxynaphthalene monooxygenase (quinone-forming) [Funa05] , gentisate 1,2-dioxygenase [Feng99] , synephrine dehydratase [Manne86] , naringenin 2-oxoglutarate oxygen oxidoreductase [Lee08d] , D-fructose-6-phosphate cytidylyltransferase [Wang12d] , phenylalanine 3-hydroxylase [Zhang11c] , phlorisobutyrophenone dimethylallyltransferase [Boubakir05] , 4-amino-3-hydroxy-benzoate 2,3-dioxygenase [Takenaka02] , hydroquinone 1,2-dioxygenase [Moonen08] , D-xylulose-5-phosphate cytidylyltransferase [Wang12e] , 1,3-dihydroxyacetone reductase [Wang10b] , digalacturonate lyase [Shevchik99] , phenylacetaldoxime dehydratase [Kato00] , 2-amino 3-carboxymuconate 6-semialdehyde decarboxylase [Pucci07] , streptomycin 6-kinase [Sugiyama83] , 2,6-dichloro-hydroquinone chlorohydrolase [Lee97c] , 1,3-propanediol dehydrogenase [Daniel95] , 2-oxo-1,2-dihydroquinoline 5,6 dioxygenase [Schach95] , DL-methylmalonyl-CoA racemase [Stabler85] , 1,3-propanediol dehydrogenase [Johnson87] , tyrosine 3-monooxygenase [Yamamoto01a] , 2,5-dihydroxypyridine dioxygenase [Gauthier71] , UDP-N-acetylglucosamine pyrophosphorylase [Szumilo96] , lysine decarboxylase [Hartmann80]

Enzymes inhibited by Fe2+, sorted by the type of inhibition, are:

Inhibitor (Competitive) of: glycine formimidoyltransferase [Uyeda65]

Inhibitor (Mechanism unknown) of: phosphoglucomutase [Joshi64] , NADPH-dependent curcumin reductase [Hassaninasab11] , o-succinylbenzoate-CoA ligase [Kwon96] , deoxyribose 1,5-phosphomutase [HammerJespersen70] , N-acetylglutamylphosphate reductase [Vogel74] , acetylornithine aminotransferase [Vogel74a] , N-acetylneuraminate lyase [Aisaka91, Comment 1] , N-acetyl-β-neuraminate lyase [Aisaka91, Comment 1] , D-aminopropanol dehydrogenase [Kelley84] , ribonucleoside-triphosphate reductase [Eliasson92] , quercetin 7-O-glucosyltransferase [Stich] , gossypetin 7-O-glucosyltransferase [Stich] , cellobiose 2-epimerase [Taguchi08] , glycerophosphocholine cholinephosphodiesterase [Sugimori13] , dTDP-4-amino-4,6-dideoxy-D-glucose acetyltransferase [Wang07a] , ginsenoside Rf 6-O-glucosidase [Wang11h] , ginsenoside Rh1 6-O-glucosidase [Wang11h] , ginsenoside Rg2 6-O-rhamnosidase [Wang11h] , ginsenoside Re 6-O-rhamnosidase [Wang11h] , ginsenoside Rg1 6-O-glucosidase [Wang11h] , ginsenoside R1 6-O-xylosidase [Wang11h] , protopanaxatriol-type ginsenoside with two glycosyl residues at position 6 6-glycosidase [Wang11h] , phosphoribosylpyrophosphate amidotransferase [Satyanarayana71] , NADH kinase [Shi05a] , NAD(+) kinase [Shi05a] , 3,6,7,2',4'-pentamethylquercetagetin 3'-O-glucosyltransferase [Bajaj83] , 2'-hydroxy 3,6,7,4'-tetramethylquercetagetin 3'-O-glucosyltransferase [Bajaj83] , 3,6,7,4'-tetramethylquercetagetin 3'-O-glucosyltransferase [Bajaj83] , 3,7,4'-trimethylquercetagetin 3'-O-glucosyltransferase [Bajaj83] , 2'-hydroxy 3,7,3',4'-tetramethylquercetin 2'-O-glucosyltransferase [Bajaj83] , 2'-hydroxy 3,7,4'-trimethylquercetin 2'-O-glucosyltransferase [Bajaj83] , kaempferol 3-O-glucosyltransferase [Owens] , quercetin 3-O-glucosyltransferase [Owens] , myricetin 3-O-glucosyltransferase [Owens] , phosphoenolpyruvate phosphatase [Veljanovski06] , anol synthase [Koeduka09] , eugenol synthase [Koeduka09] , squalene-hopene cyclase [Ochs90] , UDPG:ginsenoside Rd glucosyltransferase [Yue05] , 4-oxalocrotonate decarboxylase [Orii06] , 2-amino-5-carboxymuconic 6-semialdehyde deaminase [Orii04] , L-rhamnono-γ-lactonase [Watanabe08] , farnesoic acid carboxyl methyltransferase [Yang06b] , 7-methylxanthine demethylase [Gluck88] , GA9 carboxyl methyltransferase [Varbanova07] , UDP-D-xylose:β-D-glucoside α-1,3-D-xylosyltransferase [Ishimizu07] , L-galactono-γ-lactone dehydrogenase [Shigeoka79a] , methyl indole-3-acetate methylesterase , 4-oxalocrotonate decarboxylase [Takenaka00] , cytidine 5'-monophosphate N-acetylneuraminate synthetase [RodriguezAparic92] , indole-3-acetate carboxyl methyltransferase [Zhao07a] , iminodiacetate dehydrogenase [Uetz93] , kanosamine 6-kinase [Arakawa02] , nitrilotriacetate monooxygenase [Uetz92] , sterigmatocystin O-methyltransferase [Liu99c] , carboxynorspermidine decarboxylase [Nakao90] , isopenicillin N epimerase [Laiz90] , β-keto-L-gulonic acid decarboxylase [WINKELMAN61] , S-adenosyl-L-methionine:norcoclaurine 6-O-methyltransferase [Sato94] , sucrose synthase [Elling95] , 3'-hydroxy-N-methylcoclaurine 4'-O-methyltransferase [Morishige00] , maltooligosyl-trehalose trehalohydrolase , lysine N6-acetyltransferase [Bode93] , feruloyl-CoA:tyramine N-(hydroxycinnamoyl)transferase [Hohlfeld95] , phosphoribosylpyrophosphate amidotransferase [Satyanarayana71] , S-adenosyl-L-methionine:isoeugenol-O-methyltransferase [Wang98f] , S-adenosyl-L-methionine:eugenol-O-methyltransferase [Wang98f] , noradrenaline N-methyltransferase [Connett70] , sulfite:ferric ion oxidoreductase [Comment 2] , 2-phospho-3-sulfolactate phosphohydrolase [Graham01] , α-galactosidase [Liebl98] , maltooligosyl-trehalose trehalohydrolase [Nakada95] , eriodictyol,NADPH:oxygen oxidoreductase [Martens98] , naringenin,NADPH:oxygen oxidoreductase [Martens98] , δ-aminovaleramidase [Reitz70] , sulfur oxygenase reductase [Kletzin89] , L-sorbosone dehydrogenase [Asakura99] , L-asparaginase [Raha90] , L-lysine:pyruvate aminotransferase [Schmidt87] , α-D-galactosyl-(1-3)-1D-myo-inositol:raffinose galactosyltransferase [Peterbauer98] , chlorophyllase [HorneroMendez]

Inhibitor (Other types) of: chondroitin sulfate A endolyase [Hamai97] , myo-inositol-hexakisphosphate 4-phosphohydrolase [Greiner02] , myo-inositol-hexakisphosphate 3-phosphohydrolase [Greiner02] , myo-inositol-hexakisphosphate phosphohydrolase [Greiner01] , myo-inositol-hexakisphosphate 3-phosphohydrolase [Greiner02] , L-allo-threonine aldolase [Kataoka97]

This compound has been characterized as a cofactor or prosthetic group of the following enzymes: L-glutamate:NADP+ oxidoreductase (transaminating) , acyl carrier protein phosphodiesterase , threonine dehydrogenase , ribulose-5-phosphate 3-epimerase , galactarate dehydratase , 2-dehydro-3-deoxyphosphoheptonate aldolase , 3-(2,3-dihydroxyphenyl)propionate 1,2-dioxygenase , UDP-glucose:α-D-galactose-1-phosphate uridylyltransferase , taurine dioxygenase , L-1,2-propanediol oxidoreductase , glycolaldehyde reductase , catalase , adenine deaminase , methionine aminopeptidase , acetaldehyde dehydrogenase , alcohol dehydrogenase , cAMP phosphodiesterase , hydrogenase , peptide deformylase , cytosine deaminase , protein-arginine oxygenase , N1-methyladenine demethylase , N3-methylcytosine demethylase , 1-ethyladenine demethylase , ribonucleoside-diphosphate reductase , formate dehydrogenase , hercynylcysteine S-oxide synthase , 2-aminoethylphosphonate dioxygenase , 2-amino-1-hydroxyethylphosphonate dioxygenase , FR-33289 synthase , 4-feruloyl 2'-hydroxylase , 4-coumaroyl 2'-hydroxylase , 4-coumaroyl 2'-hydroxylase , feruloyl-coA 6'-hydroxylase , (R,S)-butanediol dehydrogenase [(R)-acetoin-forming] , 3-dimethylallyl-4-hydroxyphenylpyruvate oxygenase , 3-dimethylallyl-4-hydroxymandelate oxygenase , tRNAPhe (7-(3-amino-3-carboxypropyl)wyosine37-C2)-hydroxylase , hercynine oxygenase (γ-glutamyl-hercynylcysteine sulfoxide-forming) , kanamycin B dioxygenase , uridine-5'-monophosphate:2-oxoglutarate dioxygenase , 3-methyl-branched 2,3,4-saturated fatty acyl-CoA hydroxylase , 3-methyl-branched 2,3,4-saturated fatty acyl-CoA 2-hydroxylase , β-carotene 15,15′-monooxygenase , all-trans-8′-apo-β-carotenal 15,15′-oxygenase , 9-cis-β-carotene 9',10'-cleavage dioxygenase , ketoisocaproate dioxygenase , β-carotene 15,15'-dioxygenase , chromopyrrolate synthase , 4-amino-3-hydroxy-benzoate 2,3-dioxygenase , L-dopa 2,3-dioxygenase , androsta-1,4-diene-3,17-dione 9α-hydroxylase , 3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione 4,5-dioxygenase , 1,4-androstadiene-3,17-dione 9α-hydroxylase , neopentalenolactone D dioxygenase , neopentalenolactone E dioxygenase , 1-deoxypentalenate 11-hydroxylase , retinyl-ester 13-cis-isomerohydrolase , β,β-carotene 15,15'-monooxygenase , 2-oxoglutarate oxygenase/decarboxylase (ethylene-forming) , 7,8-dihydro-D-neopterin 2',3'-cyclic phosphate phosphodiesterase (7,8-dihydroneopterin 3'-phosphate-forming) , 7,8-dihydro-D-neopterin 2',3'-cyclic phosphate phosphodiesterase (7,8-dihydroneopterin 2'-phosphate-forming) , phosphoprotein phosphatase , dimethylsulfide monooxygenase , cyclodextrin glucanotransferase , acetylacetone:oxygen oxidoreductase , phophonoacetaldehyde reductase , phosphonoacetaldehyde reductase , gallate dioxygenase , salicylate 1,2-dioxygenase , 2'-aminobiphenyl-2,3-diol 1,2-dioxygenase , aliphatic nitrile hydratase , 2,5-dihydroxypyridine dioxygenase , thebaine 6-O-demethylase , oripavine 6-O-demethylase , thebane O-demethylase , codeine O-demethylase , hypoxia-inducible factor-proline dioxygenase , benzoate 4-monooxygenase , 2-amino-5-formylamino-6-ribosylaminopyrimidin-4(3H)-one 5'-monophosphate deformylase , ammonia monooxygenase , pyrogallol transhydroxylase , norcoclaurine synthase , protocatechuate 2,3-dioxygenase , 2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl dioxygenase , gallate dioxygenase , 3-O-methylgallate:oxygen 4,5-oxidoreductase (decyclizing) , hydroxyethylphosphonate dioxygenase , 3-hydroxyanthranilate 3,4-dioxygenase , 2-fluorobenzoate 1,2-dioxygenase , chlorocatechol 2,3-dioxygenase , 2-aminophenol 1,6-dioxygenase , 2,4,5-trichlorophenoxyacetate hydroxylase , 2,6-dichlorohydroquinone dioxygenase , GTP cyclohydrolase IV , S-ribosylhomocysteine lyase , S-ribosylhomocysteine lyase , S-ribosylhomocysteine lyase , N-acetylneuraminate 9-phosphate synthase , γ-butyrobetaine hydroxylase , ε-N-trimethyllysine hydroxylase , 2,4-dichlorophenoxyacetate dioxygenase , histidinol phosphate phosphatase , stearoyl-CoA desaturase , enamidase , dimethylmaleate hydratase , (S)-2-hydroxypropylphosphonate epoxidase , alkane hydroxylase , deacetoxycephalosporin C hydroxylase , deacetoxycephalosporin C synthase , deacetoxycephalosporin C hydroxylase , deacetoxycephalosporin C synthase , 2-aminophenol-1,6-dioxygenase , emodin deoxygenase , flavone synthase , desacetoxyvindoline 4-hydroxylase , lysine 2,3-aminomutase , thiohydroximate-O-sulfate sulfohydrolase (nitrile-forming) , thiohydroximate-O-sulfate sulfohydrolase (nitrile-forming) , alkenyl thiohydroximate-O-sulfate sulfohydrolase (epithionitrile-forming) , alkenyl thiohydroximate-O-sulfate sulfohydrolase (epithionitrile-forming) , homogentisate oxygenase , homogentisate 1,2-dioxygenase , 4-hydroxyphenylpyruvate dioxygenase , nucleoside oxidase , 4-hydroxyphenylpyruvate dioxygenase , 2,3-dihydroxy-isovalerate dehydratase , 2,3-dihydroxy-3-methylvalerate hydro-lyase , (S)-canadine oxidase , catechol 2,3-dioxygenase , amidase , anthranilate dioxygenase , glyceraldehyde-3-phosphate ferredoxin oxidoreductase , nicotinate hydroxylase , quinoline 2-oxidoreductase , tyrosine 3-monooxygenase , cysteine dioxygenase , acireductone dioxygenase [iron(II)-requiring] , protocatechuate 4,5-dioxygenase , 4-hydroxyphenylpyruvate dioxygenase , gibberellin A15,oxoglutarate:oxygen oxidoreductase , nitrile hydratase


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