Carbimazole Action Pathway
type: Pathway
pathway order: PathwayTransport/2503137
pathway order: PathwayTransport/2503147
pathway order: PathwayTransport/2503133
pathway order: PathwayEnzymeReaction/2503150
pathway order: PathwayEnzymeReaction/2503151
pathway order: PathwayTransport/2503154
pathway order: PathwayTransport/2503146
pathway order: PathwayTransport/2503134
pathway order: PathwayEnzymeReaction/2503142
pathway order: PathwayTransport/2503145
pathway order: PathwayEnzymeReaction/2503143
pathway order: PathwayEnzymeReaction/2503144
pathway order: PathwayTransport/2503153
pathway order: PathwayInteraction/3788
pathway order: PathwayEnzymeReaction/2503156
pathway order: PathwayEnzymeReaction/2503135
pathway order: PathwayTransport/2503152
pathway order: PathwaySubPathway/117104
pathway order: PathwaySubPathway/117105
pathway component: Transport1211
pathway component: Transport250
pathway component: 1.97.1.10
pathway component: TransportCatalysis4917
pathway component: Transport13897
pathway component: TransportCatalysis4915
pathway component: Transport13899
pathway component: Transport13898
pathway component: Interaction3788
pathway component: TransportCatalysis215
pathway component: Reaction218080
pathway component: Protein Synthesis
pathway component: Reaction218081
pathway component: Thyroglobulin proteolysis
pathway component: Transport258
pathway component: Transport13900
pathway component: Transport13902
pathway component: ReactionCatalysis207459
pathway component: ReactionCatalysis207458
pathway component: ReactionCatalysis207457
pathway component: ReactionCatalysis207456
pathway component: ReactionCatalysis207455
pathway component: Reaction218073
pathway component: ReactionCatalysis207454
pathway component: ReactionCatalysis207451
pathway component: 1.11.1.8
pathway component: Reaction218078
pathway component: Transport249
xref: Reference/SMPDB SMP0124888
xref: Reference/PathWhiz PW126392
organism: Homo sapiens

Transport1211
type: Transport
participant stoichiometry: Compound/PW C000169 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000169 Cytosol/Stoichiometry/1.0
right: Thyroxine
spontaneous: true
left: Thyroxine
name: Thyroxine (↔) Transport: Homo sapiens, Cell, Cytosol to Homo sapiens, Cell, Extracellular Space
conversion direction: REVERSIBLE

Reference/CAS 7722-84-1
type: UnificationXref
id: 7722-84-1
db: CAS

Reference/ChemSpider 17215925
type: UnificationXref
id: 17215925
db: ChemSpider

Reference/ChemSpider 28015
type: UnificationXref
id: 28015
db: ChemSpider

Reference/PubChem-compound 923
type: UnificationXref
id: 923
db: PubChem-compound

Reference/PubChem-compound 7058163
type: UnificationXref
id: 7058163
db: PubChem-compound

3,5-Diiodo-L-tyrosine
type: SmallMolecule
cellular location: Extracellular Space
entity reference: 3,5-Diiodo-L-tyrosine

Methimazole
type: SmallMolecule
cellular location: Cytosol
entity reference: Methimazole

Reference/ChemSpider 937
type: UnificationXref
id: 937
db: ChemSpider

Reference/PubChem-compound 123991
type: UnificationXref
id: 123991
db: PubChem-compound

Reference/CAS 20461-54-5
type: UnificationXref
id: 20461-54-5
db: CAS

BoundComplex/571 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Thyroxine_Thyroglobulin (Homo sapiens)
stoichiometric coefficient: 1.0

Reference/PubChem-compound 25201348
type: UnificationXref
id: 25201348
db: PubChem-compound

direct_interaction
type: InteractionVocabulary

Reference/UniProt P04839
type: UnificationXref
id: P04839
db: UniProt

Reference/HMDB HMDB0003125
type: UnificationXref
id: HMDB0003125
db: HMDB

Protein/5798 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Thyroglobulin
stoichiometric coefficient: 1.0

SubPathwayInteraction117104
type: Interaction
name: SubPathwayReaction
name: SubPathway117104Reaction
participant: Thyroxine_Thyroglobulin (Homo sapiens)
participant: Iodotyrosine
participant: Thyroglobulin (Homo sapiens)_Liothyronine
participant: Amino acids
participant: Liothyronine
participant: 3,5-Diiodo-L-tyrosine
participant: Thyroxine

Compound/PW C000103 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: L-Tyrosine
stoichiometric coefficient: 1.0

SubPathwayInteraction117105
type: Interaction
name: SubPathway117105Reaction
name: SubPathwayReaction
participant: Amino acids
participant: Thyroglobulin

ChemicalStructure/PW C001783
type: ChemicalStructure
structure format: SMILES
structure data: OO

ChemicalStructure/PW C001420
type: ChemicalStructure
structure format: SMILES
structure data: O

Unknown
type: ProteinReference
organism: Homo sapiens

L-Tyrosine
type: SmallMolecule
cellular location: Cytosol
entity reference: L-Tyrosine

Thyroid peroxidase
type: Complex
component stoichiometry: Protein/2011 Cytosol/Stoichiometry/1.0
component stoichiometry: Protein/3442 Cytosol/Stoichiometry/1.0
component stoichiometry: Protein/2495 Cytosol/Stoichiometry/1.0
component stoichiometry: Protein/270 Cytosol/Stoichiometry/2.0
component stoichiometry: Protein/3500 Cytosol/Stoichiometry/1.0
component stoichiometry: Protein/1588 Cytosol/Stoichiometry/1.0
component stoichiometry: Protein/2239 Cytosol/Stoichiometry/1.0
cellular location: Cytosol
component: Cytochrome b-245 light chain
component: Dual oxidase 1
component: Cytochrome b-245 heavy chain
component: NADPH oxidase 3
component: Thyroid peroxidase
component: NADPH oxidase 4
component: Dual oxidase 2

Reference/BioCyc L-THYROXINE
type: UnificationXref
id: L-THYROXINE
db: BioCyc

Dual oxidase 1
type: Protein
cellular location: Cell Membrane
entity reference: Dual oxidase 1

Reference/KEGG Compound C07190
type: UnificationXref
id: C07190
db: KEGG Compound

Reference/PubChem-compound 807
type: UnificationXref
id: 807
db: PubChem-compound

Compound/PW C000169 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Thyroxine
stoichiometric coefficient: 1.0

BoundComplex/571 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Thyroxine_Thyroglobulin (Homo sapiens)
stoichiometric coefficient: 1.0

Reference/ChemSpider 5833
type: UnificationXref
id: 5833
db: ChemSpider

ChemicalStructure/PW C000458
type: ChemicalStructure
structure format: SMILES
structure data: [Na+]

Protein/3500 Cell Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADPH oxidase 4
stoichiometric coefficient: 1.0

NADPH oxidase 4
type: ProteinReference
xref: Reference/UniProt Q9NPH5
organism: Homo sapiens

Reference/ChEBI CHEBI 16382
type: UnificationXref
id: CHEBI:16382
db: ChEBI

Compound/PW C000143 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADP
stoichiometric coefficient: 1.0

2-Aminoacrylic acid
type: SmallMolecule
cellular location: Extracellular Space
entity reference: 2-Aminoacrylic acid

Carbimazole
type: SmallMolecule
cellular location: Extracellular Space
entity reference: Carbimazole

Compound/PW C001420 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Water
stoichiometric coefficient: 1.0

Thyroglobulin (Homo sapiens)_Iodotyrosine
type: Complex
component stoichiometry: Protein/5798 Extracellular Space/Stoichiometry/1.0
component stoichiometry: Compound/PW C000014 Extracellular Space/Stoichiometry/1.0
cellular location: Extracellular Space
component: Iodotyrosine
component: Thyroglobulin

ChemicalStructure/PW C000103
type: ChemicalStructure
structure format: SMILES
structure data: N[C@@H](CC1=CC=C(O)C=C1)C(O)=O

Compound/PW C000014 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Iodotyrosine
stoichiometric coefficient: 1.0

Transport249
type: Transport
participant stoichiometry: Compound/PW C007784 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C007784 Cytosol/Stoichiometry/1.0
right: Iodide
spontaneous: false
left: Iodide
name: Iodide (→) Transport: Homo sapiens, Cell, Cytosol to Homo sapiens, Extracellular Space
conversion direction: LEFT_TO_RIGHT

Reference/ChemSpider 388804
type: UnificationXref
id: 388804
db: ChemSpider

Thyroid peroxidase
type: ProteinReference
xref: Reference/UniProt P07202
organism: Homo sapiens

NADPH oxidase 3
type: Protein
cellular location: Extracellular Space
entity reference: NADPH oxidase 3

Protein/2011 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cytochrome b-245 light chain
stoichiometric coefficient: 1.0

Protein/3500 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADPH oxidase 4
stoichiometric coefficient: 1.0

Reference/CAS 53-59-8
type: UnificationXref
id: 53-59-8
db: CAS

Reference/KEGG Compound C02515
type: UnificationXref
id: C02515
db: KEGG Compound

Iodotyrosine
type: SmallMolecule
cellular location: Cytosol
entity reference: Iodotyrosine
name: SubPathwayOutput

Reference/UniProt P07202
type: UnificationXref
id: P07202
db: UniProt

Transport250
type: Transport
participant stoichiometry: Protein/5798 Cytosol/Stoichiometry/1.0
participant stoichiometry: Protein/5798 Extracellular Space/Stoichiometry/1.0
right: Thyroglobulin
spontaneous: false
left: Thyroglobulin
name: Thyroglobulin (→) Transport: Homo sapiens, Cell, Cytosol to Homo sapiens, Extracellular Space
conversion direction: LEFT_TO_RIGHT

Compound/PW C001783 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Hydrogen peroxide
stoichiometric coefficient: 1.0

Reference/PubChem-compound 1038
type: UnificationXref
id: 1038
db: PubChem-compound

Compound/PW C000169 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Thyroxine
stoichiometric coefficient: 1.0

Transport13897
type: Transport
participant stoichiometry: Compound/PW C007784 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000458 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C007784 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000458 Cytosol/Stoichiometry/1.0
right: Iodide
right: Sodium
spontaneous: false
left: Sodium
left: Iodide
name: Iodide (→), Sodium (→) Transport: Homo sapiens, Extracellular Space to Homo sapiens, Cell, Cytosol
conversion direction: LEFT_TO_RIGHT

BoundComplex/572 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Thyroglobulin (Homo sapiens)_2-Aminoacrylic acid
stoichiometric coefficient: 1.0

Transport13899
type: Transport
participant stoichiometry: BoundComplex/571 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: BoundComplex/571 Cytosol/Stoichiometry/1.0
right: Thyroxine_Thyroglobulin (Homo sapiens)
spontaneous: false
left: Thyroxine_Thyroglobulin (Homo sapiens)
name: Thyroxine + Thyroglobulin (Homo sapiens) (→) Transport: Homo sapiens, Extracellular Space to Homo sapiens, Cell, Cytosol
conversion direction: LEFT_TO_RIGHT

Transport13898
type: Transport
participant stoichiometry: BoundComplex/573 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: BoundComplex/573 Cytosol/Stoichiometry/1.0
right: Thyroglobulin (Homo sapiens)_Liothyronine
spontaneous: false
left: Thyroglobulin (Homo sapiens)_Liothyronine
name: Thyroglobulin (Homo sapiens) + Liothyronine (→) Transport: Homo sapiens, Extracellular Space to Homo sapiens, Cell, Cytosol
conversion direction: LEFT_TO_RIGHT

Reference/ChEBI CHEBI 16474
type: UnificationXref
id: CHEBI:16474
db: ChEBI

Reference/GENE ONTOLOGY GO 0005829
type: UnificationXref
id: GO:0005829
db: GENE ONTOLOGY

Reference/HMDB HMDB0000675
type: UnificationXref
id: HMDB0000675
db: HMDB

Iodotyrosine
type: SmallMoleculeReference
xref: Reference/CAS 70-78-0
xref: Reference/KEGG Compound C02515
xref: Reference/BioCyc IODO-L-TYROSINE
xref: Reference/ChEBI CHEBI 27847
xref: Reference/ChemSpider 388804
xref: Reference/PubChem-compound 439744
xref: Reference/HMDB HMDB0000021
chemical formula: C9H10INO3
molecular weight: 306.97055
structure: ChemicalStructure/PW C000014

TransportCatalysis215
type: Catalysis
controller: Pendrin
controlled: Transport249
control type: ACTIVATION

NADPH oxidase 4
type: Protein
cellular location: Cytosol
entity reference: NADPH oxidase 4

Reference/BioCyc TYR
type: UnificationXref
id: TYR
db: BioCyc

Transport258
type: Transport
participant stoichiometry: Compound/PW C000181 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000181 Cytosol/Stoichiometry/1.0
right: Liothyronine
spontaneous: false
left: Liothyronine
name: Liothyronine (→) Transport: Homo sapiens, Cell, Cytosol to Homo sapiens, Extracellular Space
conversion direction: LEFT_TO_RIGHT

3,5-Diiodo-L-tyrosine
type: SmallMoleculeReference
xref: Reference/KEGG Compound C01060
xref: Reference/CAS 300-39-0 66-02-4
xref: Reference/PubChem-compound 7058163
xref: Reference/ChemSpider 8946
xref: Reference/ChEBI CHEBI 15768
xref: Reference/BioCyc DIIODO-L-TYROSINE
xref: Reference/HMDB HMDB0003474
chemical formula: C9H9I2NO3
molecular weight: 432.8672
structure: ChemicalStructure/PW C001904

Cytochrome b-245 heavy chain
type: ProteinReference
xref: Reference/UniProt P04839
organism: Homo sapiens

Thyroglobulin (Homo sapiens)_3,5-Diiodo-L-tyrosine
type: Complex
component stoichiometry: Compound/PW C001904 Extracellular Space/Stoichiometry/1.0
component stoichiometry: Protein/5798 Extracellular Space/Stoichiometry/1.0
cellular location: Extracellular Space
component: 3,5-Diiodo-L-tyrosine
component: Thyroglobulin

Reference/ChemSpider 5614
type: UnificationXref
id: 5614
db: ChemSpider

Compound/PW C001904 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3,5-Diiodo-L-tyrosine
stoichiometric coefficient: 1.0

Reference/PubChem-compound 30165
type: UnificationXref
id: 30165
db: PubChem-compound

Reference/ChEBI CHEBI 16240
type: UnificationXref
id: CHEBI:16240
db: ChEBI

Reference/ChemSpider 1010
type: UnificationXref
id: 1010
db: ChemSpider

Cytochrome b-245 light chain
type: Protein
cellular location: Extracellular Space
entity reference: Cytochrome b-245 light chain

Reference/CAS 1948-56-7
type: UnificationXref
id: 1948-56-7
db: CAS

Compound/PW C009231 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Methimazole
stoichiometric coefficient: 1.0

NADPH
type: SmallMoleculeReference
xref: Reference/CAS 53-57-6
xref: Reference/HMDB HMDB0000221
xref: Reference/PubChem-compound 22833512
xref: Reference/BioCyc NADPH
xref: Reference/ChemSpider 17215925
xref: Reference/KEGG Compound C00005
xref: Reference/ChEBI CHEBI 16474
chemical formula: C21H30N7O17P3
molecular weight: 745.0911
structure: ChemicalStructure/PW C000146

Compound/PW C000181 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Liothyronine
stoichiometric coefficient: 1.0

Iodide
type: SmallMolecule
cellular location: Extracellular Space
entity reference: Iodide

NADP
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00006
xref: Reference/CAS 53-59-8
xref: Reference/BioCyc NAD(P)
xref: Reference/HMDB HMDB0000217
xref: Reference/ChEBI CHEBI 18009
xref: Reference/PubChem-compound 5886
xref: Reference/ChemSpider 5675
chemical formula: C21H28N7O17P3
molecular weight: 743.07544
structure: ChemicalStructure/PW C000143

Reference/UniProt Q9HBY0
type: UnificationXref
id: Q9HBY0
db: UniProt

Protein/3442 Cell Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADPH oxidase 3
stoichiometric coefficient: 1.0

BoundComplex/573 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Thyroglobulin (Homo sapiens)_Liothyronine
stoichiometric coefficient: 1.0

Reference/BioCyc NADPH
type: UnificationXref
id: NADPH
db: BioCyc

Compound/PW C000146 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADPH
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 15768
type: UnificationXref
id: CHEBI:15768
db: ChEBI

Carbimazole
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0014533
xref: Reference/CAS 22232-54-8
xref: Reference/PubChem-compound 31072
xref: Reference/ChemSpider 28829
xref: Reference/KEGG Compound C07615
xref: Reference/ChEBI CHEBI 617099
chemical formula: C7H10N2O2S
molecular weight: 186.0463
structure: ChemicalStructure/PW C008906

Cytosol
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0005829

TransportCatalysis4917
type: Catalysis
controller: Unknown
controlled: Transport13902
control type: ACTIVATION

TransportCatalysis4915
type: Catalysis
controller: Sodium/iodide cotransporter
controlled: Transport13897
control type: ACTIVATION

Thyroxine
type: SmallMolecule
cellular location: Cytosol
entity reference: Thyroxine
name: SubPathwayOutput

Compound/PW C000181 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Liothyronine
stoichiometric coefficient: 1.0

Sodium/iodide cotransporter
type: Protein
entity reference: Sodium/iodide cotransporter

Interaction3788
type: MolecularInteraction
interaction type: direct_interaction
name: Methimazole inhibits Thyroid peroxidase
participant: Methimazole
participant: Thyroid peroxidase

ChemicalStructure/PW C000014
type: ChemicalStructure
structure format: SMILES
structure data: N[C@@H](CC1=CC=C(O)C(I)=C1)C(O)=O

Reference/HMDB HMDB0000217
type: UnificationXref
id: HMDB0000217
db: HMDB

Protein/270 Extracellular Space/Stoichiometry/2.0
type: Stoichiometry
physical entity: Thyroid peroxidase
stoichiometric coefficient: 2.0

Reference/GENE ONTOLOGY GO 0005886
type: UnificationXref
id: GO:0005886
db: GENE ONTOLOGY

Protein Synthesis
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway117105
pathway component: SubPathwayInteraction117105
name: SubPathway

Thyroglobulin proteolysis
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway117104
pathway component: SubPathwayInteraction117104
name: SubPathway

Protein/3442 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADPH oxidase 3
stoichiometric coefficient: 1.0

Reference/KEGG Compound C00006
type: UnificationXref
id: C00006
db: KEGG Compound

Reference/CAS 7553-56-2
type: UnificationXref
id: 7553-56-2
db: CAS

Reference/ChEBI CHEBI 18009
type: UnificationXref
id: CHEBI:18009
db: ChEBI

Compound/PW C000458 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Sodium
stoichiometric coefficient: 1.0

Reference/KEGG Compound C00001
type: UnificationXref
id: C00001
db: KEGG Compound

Reference/HMDB HMDB0003609
type: UnificationXref
id: HMDB0003609
db: HMDB

Reference/KEGG Compound C01330
type: UnificationXref
id: C01330
db: KEGG Compound

Reference/PubChem-compound 5920
type: UnificationXref
id: 5920
db: PubChem-compound

ReactionCatalysis207459
type: Catalysis
controller: Unknown
controlled: Reaction218081
control type: ACTIVATION

ChemicalStructure/PW C001904
type: ChemicalStructure
structure format: SMILES
structure data: [H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O

Reference/KEGG Compound C00005
type: UnificationXref
id: C00005
db: KEGG Compound

ReactionCatalysis207458
type: Catalysis
controller: Type I iodothyronine deiodinase
controlled: Reaction218080
control type: ACTIVATION

ReactionCatalysis207457
type: Catalysis
controller: Type I iodothyronine deiodinase
controlled: 1.97.1.10
control type: ACTIVATION

ReactionCatalysis207456
type: Catalysis
controller: Thyroid peroxidase
controlled: Reaction218078
control type: ACTIVATION

NADPH
type: SmallMolecule
cellular location: Cytosol
entity reference: NADPH

ReactionCatalysis207455
type: Catalysis
controller: Thyroid peroxidase
controlled: 1.11.1.8
control type: ACTIVATION

ReactionCatalysis207454
type: Catalysis
controller: Thyroid peroxidase
controlled: 1.11.1.8
control type: ACTIVATION

ChemicalStructure/PW C000143
type: ChemicalStructure
structure format: SMILES

Reference/HMDB HMDB0000221
type: UnificationXref
id: HMDB0000221
db: HMDB

Protein/2239 Cell Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dual oxidase 2
stoichiometric coefficient: 1.0

ReactionCatalysis207451
type: Catalysis
controller: Thyroid peroxidase
controlled: Reaction218073
control type: ACTIVATION

Reference/HMDB HMDB0000588
type: UnificationXref
id: HMDB0000588
db: HMDB

ChemicalStructure/PW C000146
type: ChemicalStructure
structure format: SMILES

Thyroid peroxidase
type: Complex
component stoichiometry: Protein/3500 Extracellular Space/Stoichiometry/1.0
component stoichiometry: Protein/2495 Extracellular Space/Stoichiometry/1.0
component stoichiometry: Protein/1588 Extracellular Space/Stoichiometry/1.0
component stoichiometry: Protein/270 Extracellular Space/Stoichiometry/2.0
component stoichiometry: Protein/2239 Extracellular Space/Stoichiometry/1.0
component stoichiometry: Protein/3442 Extracellular Space/Stoichiometry/1.0
component stoichiometry: Protein/2011 Extracellular Space/Stoichiometry/1.0
cellular location: Extracellular Space
component: Cytochrome b-245 light chain
component: Dual oxidase 2
component: Dual oxidase 1
component: NADPH oxidase 4
component: Thyroid peroxidase
component: Cytochrome b-245 heavy chain
component: NADPH oxidase 3

Protein/2011 Cell Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cytochrome b-245 light chain
stoichiometric coefficient: 1.0

Iodide
type: SmallMolecule
cellular location: Cytosol
entity reference: Iodide

Dual oxidase 2
type: Protein
cellular location: Cytosol
entity reference: Dual oxidase 2

Reference/PubChem-compound 439744
type: UnificationXref
id: 439744
db: PubChem-compound

Reference/CAS 53-57-6
type: UnificationXref
id: 53-57-6
db: CAS

2-Aminoacrylic acid
type: SmallMoleculeReference
xref: Reference/ChemSpider 110510
xref: Reference/CAS 1948-56-7
xref: Reference/KEGG Compound C02218
xref: Reference/HMDB HMDB0003609
xref: Reference/PubChem-compound 123991
xref: Reference/ChEBI CHEBI 17123
chemical formula: C3H5NO2
molecular weight: 87.03203
structure: ChemicalStructure/PW C001938

Reference/UniProt Q9NRD8
type: UnificationXref
id: Q9NRD8
db: UniProt

Reference/BioCyc LIOTHYRONINE
type: UnificationXref
id: LIOTHYRONINE
db: BioCyc

Reference/UniProt Q9NRD9
type: UnificationXref
id: Q9NRD9
db: UniProt

Protein/5798 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Thyroglobulin
stoichiometric coefficient: 1.0

Thyroxine
type: SmallMoleculeReference
xref: Reference/CAS 51-48-9
xref: Reference/PubChem-compound 25201348
xref: Reference/HMDB HMDB0000248
xref: Reference/ChemSpider 5614
xref: Reference/KEGG Compound C01829
xref: Reference/BioCyc L-THYROXINE
xref: Reference/ChEBI CHEBI 18332
chemical formula: C15H11I4NO4
molecular weight: 776.6867
structure: ChemicalStructure/PW C000169

Reference/BioCyc IODINE-MOLECULE
type: UnificationXref
id: IODINE-MOLECULE
db: BioCyc

Reference/ChEBI CHEBI 27847
type: UnificationXref
id: CHEBI:27847
db: ChEBI

Compound/PW C008906 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Carbimazole
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 17123
type: UnificationXref
id: CHEBI:17123
db: ChEBI

Extracellular Space
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0005615

Reference/ChEBI CHEBI 18332
type: UnificationXref
id: CHEBI:18332
db: ChEBI

Reference/ChEBI CHEBI 617099
type: UnificationXref
id: CHEBI:617099
db: ChEBI

Reference/CAS 70-78-0
type: UnificationXref
id: 70-78-0
db: CAS

Compound/PW C001904 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3,5-Diiodo-L-tyrosine
stoichiometric coefficient: 1.0

Reference/CAS 300-39-0 66-02-4
type: UnificationXref
id: 300-39-0 66-02-4
db: CAS

Reference/BioCyc NAD(P)
type: UnificationXref
id: NAD(P)
db: BioCyc

Dual oxidase 1
type: Protein
cellular location: Extracellular Space
entity reference: Dual oxidase 1

ChemicalStructure/PW C007784
type: ChemicalStructure
structure format: SMILES
structure data: [I-]

Protein/3500 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADPH oxidase 4
stoichiometric coefficient: 1.0

Hydrogen peroxide
type: SmallMolecule
cellular location: Extracellular Space
entity reference: Hydrogen peroxide

3,5-Diiodo-L-tyrosine
type: SmallMolecule
cellular location: Cytosol
entity reference: 3,5-Diiodo-L-tyrosine
name: SubPathwayOutput

Hydrogen Ion
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00080
xref: Reference/ChEBI CHEBI 15378
xref: Reference/HMDB HMDB0059597
xref: Reference/PubChem-compound 1038
xref: Reference/ChemSpider 1010
chemical formula: H
molecular weight: 1.007825
structure: ChemicalStructure/PW C040034

Reference/ChemSpider 1131173
type: UnificationXref
id: 1131173
db: ChemSpider

Cytochrome b-245 light chain
type: Protein
cellular location: Cytosol
entity reference: Cytochrome b-245 light chain

Dual oxidase 2
type: ProteinReference
xref: Reference/UniProt Q9NRD8
organism: Homo sapiens

NADPH oxidase 3
type: ProteinReference
xref: Reference/UniProt Q9HBY0
organism: Homo sapiens

Pendrin
type: Protein
entity reference: Pendrin

Reference/KEGG Compound C00027
type: UnificationXref
id: C00027
db: KEGG Compound

Liothyronine
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0000265
xref: Reference/CAS 6893-02-3
xref: Reference/ChEBI CHEBI 18258
xref: Reference/BioCyc LIOTHYRONINE
xref: Reference/PubChem-compound 5920
xref: Reference/ChemSpider 5707
xref: Reference/KEGG Compound C02465
chemical formula: C15H12I3NO4
molecular weight: 650.79004
structure: ChemicalStructure/PW C000181

Reference/ChemSpider 28829
type: UnificationXref
id: 28829
db: ChemSpider

Sodium
type: SmallMolecule
cellular location: Extracellular Space
entity reference: Sodium

Methimazole
type: SmallMolecule
cellular location: Extracellular Space
entity reference: Methimazole

Reference/GENE ONTOLOGY GO 0005615
type: UnificationXref
id: GO:0005615
db: GENE ONTOLOGY

Reference/HMDB HMDB0000248
type: UnificationXref
id: HMDB0000248
db: HMDB

NADPH oxidase 4
type: Protein
cellular location: Cell Membrane
entity reference: NADPH oxidase 4

Reference/KEGG Compound C00708
type: UnificationXref
id: C00708
db: KEGG Compound

Reference/ChEBI CHEBI 29101
type: UnificationXref
id: CHEBI:29101
db: ChEBI

NADP
type: SmallMolecule
cellular location: Cytosol
entity reference: NADP

Reference/HMDB HMDB0014533
type: UnificationXref
id: HMDB0014533
db: HMDB

ChemicalStructure/PW C001938
type: ChemicalStructure
structure format: SMILES
structure data: NC(=C)C(O)=O

Cytochrome b-245 heavy chain
type: Protein
cellular location: Cytosol
entity reference: Cytochrome b-245 heavy chain

Reference/HMDB HMDB0012238
type: UnificationXref
id: HMDB0012238
db: HMDB

Reference/KEGG Compound C02218
type: UnificationXref
id: C02218
db: KEGG Compound

ProteinComplex/527 Cell Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Thyroid peroxidase
stoichiometric coefficient: 1.0

1.97.1.10
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000103 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000146 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001904 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C007784 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000143 Cytosol/Stoichiometry/1.0
right: L-Tyrosine
right: Iodide
right: NADP
spontaneous: false
EC number: 1.97.1.10
left: 3,5-Diiodo-L-tyrosine
left: NADPH
name: 3,5-Diiodo-L-tyrosine + NADPH ↔ Iodide + L-Tyrosine + NADP
conversion direction: REVERSIBLE

Thyroid peroxidase
type: Protein
cellular location: Cytosol
entity reference: Thyroid peroxidase

Reference/ChemSpider 899
type: UnificationXref
id: 899
db: ChemSpider

Protein/3442 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADPH oxidase 3
stoichiometric coefficient: 1.0

Unknown
type: Protein
entity reference: Unknown

Reference/BioCyc HYDROGEN-PEROXIDE
type: UnificationXref
id: HYDROGEN-PEROXIDE
db: BioCyc

Reaction218080
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000014 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000103 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000146 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C007784 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000143 Cytosol/Stoichiometry/1.0
right: L-Tyrosine
right: Iodide
right: NADP
spontaneous: false
left: Iodotyrosine
left: NADPH
name: Iodotyrosine + NADPH ↔ Iodide + L-Tyrosine + NADP
conversion direction: REVERSIBLE

Reaction218081
type: BiochemicalReaction
participant stoichiometry: Compound/PW C009231 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C008906 Extracellular Space/Stoichiometry/1.0
right: Methimazole
spontaneous: false
left: Carbimazole
name: Carbimazole → Methimazole
conversion direction: LEFT_TO_RIGHT

Cytochrome b-245 heavy chain
type: Protein
cellular location: Extracellular Space
entity reference: Cytochrome b-245 heavy chain

Reference/PubChem-compound 31072
type: UnificationXref
id: 31072
db: PubChem-compound

Thyroid peroxidase
type: Protein
cellular location: Cell Membrane
entity reference: Thyroid peroxidase

Compound/PW C009231 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Methimazole
stoichiometric coefficient: 1.0

Reference/ChemSpider 8946
type: UnificationXref
id: 8946
db: ChemSpider

Reference/BioCyc CPD-387
type: UnificationXref
id: CPD-387
db: BioCyc

Reference/ChemSpider 5675
type: UnificationXref
id: 5675
db: ChemSpider

Sodium/iodide cotransporter
type: ProteinReference
xref: Reference/UniProt Q92911

Protein/1588 Cell Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cytochrome b-245 heavy chain
stoichiometric coefficient: 1.0

Cytochrome b-245 light chain
type: ProteinReference
xref: Reference/UniProt P13498
organism: Homo sapiens

Dual oxidase 1
type: ProteinReference
xref: Reference/UniProt Q9NRD9
organism: Homo sapiens

Reference/KEGG Compound C02465
type: UnificationXref
id: C02465
db: KEGG Compound

Thyroid peroxidase
type: Complex
component stoichiometry: Protein/3442 Cell Membrane/Stoichiometry/1.0
component stoichiometry: Protein/2239 Cell Membrane/Stoichiometry/1.0
component stoichiometry: Protein/270 Cell Membrane/Stoichiometry/2.0
component stoichiometry: Protein/2495 Cell Membrane/Stoichiometry/1.0
component stoichiometry: Protein/2011 Cell Membrane/Stoichiometry/1.0
component stoichiometry: Protein/3500 Cell Membrane/Stoichiometry/1.0
component stoichiometry: Protein/1588 Cell Membrane/Stoichiometry/1.0
cellular location: Cell Membrane
component: Dual oxidase 2
component: Thyroid peroxidase
component: NADPH oxidase 3
component: NADPH oxidase 4
component: Dual oxidase 1
component: Cytochrome b-245 heavy chain
component: Cytochrome b-245 light chain

Reference/HMDB HMDB0000265
type: UnificationXref
id: HMDB0000265
db: HMDB

Reference/ChemSpider 763
type: UnificationXref
id: 763
db: ChemSpider

NADPH oxidase 3
type: Protein
cellular location: Cell Membrane
entity reference: NADPH oxidase 3

Protein/2495 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dual oxidase 1
stoichiometric coefficient: 1.0

Reference/KEGG Compound C01382
type: UnificationXref
id: C01382
db: KEGG Compound

Amino acids
type: SmallMolecule
cellular location: Cytosol
entity reference: Amino acids
name: SubPathwayOutput
name: SubPathwayInput

Hydrogen Ion
type: SmallMolecule
cellular location: Extracellular Space
entity reference: Hydrogen Ion

ChemicalStructure/PW C000181
type: ChemicalStructure
structure format: SMILES

Reference/CAS 17341-25-2
type: UnificationXref
id: 17341-25-2
db: CAS

Reference/HMDB HMDB0000021
type: UnificationXref
id: HMDB0000021
db: HMDB

Reference/PubChem-compound 784
type: UnificationXref
id: 784
db: PubChem-compound

Reference/ChEBI CHEBI 18258
type: UnificationXref
id: CHEBI:18258
db: ChEBI

Homo sapiens
type: BioSource
xref: Reference/TAXONOMY 9606

NADPH oxidase 4
type: Protein
cellular location: Extracellular Space
entity reference: NADPH oxidase 4

Compound/PW C000532 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Iodine
stoichiometric coefficient: 1.0

Protein/1588 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cytochrome b-245 heavy chain
stoichiometric coefficient: 1.0

Reference/CAS 7732-18-5
type: UnificationXref
id: 7732-18-5
db: CAS

Protein/2239 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dual oxidase 2
stoichiometric coefficient: 1.0

Reference/CAS 6893-02-3
type: UnificationXref
id: 6893-02-3
db: CAS

Dual oxidase 2
type: Protein
cellular location: Cell Membrane
entity reference: Dual oxidase 2

Protein/2495 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dual oxidase 1
stoichiometric coefficient: 1.0

Reference/HMDB HMDB0000158
type: UnificationXref
id: HMDB0000158
db: HMDB

Compound/PW C007784 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Iodide
stoichiometric coefficient: 1.0

Protein/270 Cytosol/Stoichiometry/2.0
type: Stoichiometry
physical entity: Thyroid peroxidase
stoichiometric coefficient: 2.0

Liothyronine
type: SmallMolecule
cellular location: Extracellular Space
entity reference: Liothyronine

Reference/KEGG Compound C01829
type: UnificationXref
id: C01829
db: KEGG Compound

Water
type: SmallMolecule
cellular location: Extracellular Space
entity reference: Water

Amino acids
type: SmallMoleculeReference

Thyroxine_Thyroglobulin (Homo sapiens)
type: Complex
component stoichiometry: Protein/5798 Extracellular Space/Stoichiometry/1.0
component stoichiometry: Compound/PW C000169 Extracellular Space/Stoichiometry/1.0
cellular location: Extracellular Space
component: Thyroglobulin
component: Thyroxine

Reference/CAS 60-18-4
type: UnificationXref
id: 60-18-4
db: CAS

Dual oxidase 2
type: Protein
cellular location: Extracellular Space
entity reference: Dual oxidase 2

Reference/UniProt F5H104
type: UnificationXref
id: F5H104
db: UniProt

Protein/270 Cell Membrane/Stoichiometry/2.0
type: Stoichiometry
physical entity: Thyroid peroxidase
stoichiometric coefficient: 2.0

Iodine
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0000675
xref: Reference/ChemSpider 785
xref: Reference/CAS 7553-56-2
xref: Reference/KEGG Compound C01382
xref: Reference/BioCyc IODINE-MOLECULE
xref: Reference/ChEBI CHEBI 17606
xref: Reference/PubChem-compound 807
chemical formula: I2
molecular weight: 253.80893
structure: ChemicalStructure/PW C000532

Iodine
type: SmallMolecule
cellular location: Extracellular Space
entity reference: Iodine

ProteinComplex/527 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Thyroid peroxidase
stoichiometric coefficient: 1.0

Protein/2239 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dual oxidase 2
stoichiometric coefficient: 1.0

Thyroxine_Thyroglobulin (Homo sapiens)
type: Complex
component stoichiometry: Protein/5798 Cytosol/Stoichiometry/1.0
component stoichiometry: Compound/PW C000169 Cytosol/Stoichiometry/1.0
cellular location: Cytosol
component: Thyroxine
component: Thyroglobulin
name: SubPathwayInput

Reference/ChemSpider 785
type: UnificationXref
id: 785
db: ChemSpider

BoundComplex/573 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Thyroglobulin (Homo sapiens)_Liothyronine
stoichiometric coefficient: 1.0

Protein/1588 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cytochrome b-245 heavy chain
stoichiometric coefficient: 1.0

ChemicalStructure/PW C000169
type: ChemicalStructure
structure format: SMILES

Reference/CAS 60-56-0
type: UnificationXref
id: 60-56-0
db: CAS

Protein/2495 Cell Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dual oxidase 1
stoichiometric coefficient: 1.0

Methimazole
type: SmallMoleculeReference
xref: Reference/PubChem-compound 1349907
xref: Reference/ChemSpider 1131173
xref: Reference/CAS 60-56-0
xref: Reference/HMDB HMDB0014901
xref: Reference/KEGG Compound C07190
xref: Reference/ChEBI CHEBI 50673
chemical formula: C4H6N2S
molecular weight: 114.02517
structure: ChemicalStructure/PW C009231

Reference/ChEBI CHEBI 17606
type: UnificationXref
id: CHEBI:17606
db: ChEBI

Cytochrome b-245 light chain
type: Protein
cellular location: Cell Membrane
entity reference: Cytochrome b-245 light chain

Reference/TAXONOMY 9606
type: UnificationXref
id: 9606
db: TAXONOMY

Reference/PubChem-compound 962
type: UnificationXref
id: 962
db: PubChem-compound

L-Tyrosine
type: SmallMoleculeReference
xref: Reference/CAS 60-18-4
xref: Reference/PubChem-compound 6057
xref: Reference/HMDB HMDB0000158
xref: Reference/ChEBI CHEBI 17895
xref: Reference/KEGG Compound C00082
xref: Reference/ChemSpider 5833
xref: Reference/BioCyc TYR
chemical formula: C9H11NO3
molecular weight: 181.0739
structure: ChemicalStructure/PW C000103

Thyroglobulin
type: ProteinReference
xref: Reference/UniProt P01266
organism: Homo sapiens

Pendrin
type: ProteinReference
xref: Reference/UniProt F5H104

Sodium
type: SmallMolecule
cellular location: Cytosol
entity reference: Sodium

Compound/PW C000458 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Sodium
stoichiometric coefficient: 1.0

BoundComplex/570 Extracellular Space/Stoichiometry/2.0
type: Stoichiometry
physical entity: Thyroglobulin (Homo sapiens)_3,5-Diiodo-L-tyrosine
stoichiometric coefficient: 2.0

Reference/KEGG Compound C00080
type: UnificationXref
id: C00080
db: KEGG Compound

Iodide
type: SmallMoleculeReference
xref: Reference/ChemSpider 28015
xref: Reference/HMDB HMDB0012238
xref: Reference/BioCyc CPD-387
xref: Reference/KEGG Compound C00708
xref: Reference/PubChem-compound 30165
xref: Reference/ChEBI CHEBI 16382
xref: Reference/CAS 20461-54-5
chemical formula: I
molecular weight: 126.904465
structure: ChemicalStructure/PW C007784

Dual oxidase 1
type: Protein
cellular location: Cytosol
entity reference: Dual oxidase 1

ChemicalStructure/PW C000532
type: ChemicalStructure
structure format: SMILES
structure data: II

Compound/PW C001938 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-Aminoacrylic acid
stoichiometric coefficient: 1.0

Reference/KEGG Compound C00082
type: UnificationXref
id: C00082
db: KEGG Compound

Compound/PW C007784 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Iodide
stoichiometric coefficient: 1.0

Reference/HMDB HMDB0002111
type: UnificationXref
id: HMDB0002111
db: HMDB

Reference/ChEBI CHEBI 15377
type: UnificationXref
id: CHEBI:15377
db: ChEBI

Cell Membrane
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0005886

Reference/PubChem-compound 6057
type: UnificationXref
id: 6057
db: PubChem-compound

Reference/ChEBI CHEBI 15378
type: UnificationXref
id: CHEBI:15378
db: ChEBI

ChemicalStructure/PW C040034
type: ChemicalStructure
structure format: SMILES
structure data: [H+]

Thyroglobulin (Homo sapiens)_Liothyronine
type: Complex
component stoichiometry: Protein/5798 Extracellular Space/Stoichiometry/1.0
component stoichiometry: Compound/PW C000181 Extracellular Space/Stoichiometry/1.0
cellular location: Extracellular Space
component: Liothyronine
component: Thyroglobulin

Reference/BioCyc IODO-L-TYROSINE
type: UnificationXref
id: IODO-L-TYROSINE
db: BioCyc

Reference/HMDB HMDB0014901
type: UnificationXref
id: HMDB0014901
db: HMDB

Transport13900
type: Transport
participant stoichiometry: ProteinComplex/527 Cell Membrane/Stoichiometry/1.0
participant stoichiometry: ProteinComplex/527 Extracellular Space/Stoichiometry/1.0
right: Thyroid peroxidase
spontaneous: false
left: Thyroid peroxidase
name: Thyroid peroxidase (→) Transport: Homo sapiens, Cell, Cell Membrane to Homo sapiens, Extracellular Space
conversion direction: LEFT_TO_RIGHT

Unknown
type: ProteinReference

Reference/PubChem-compound 5886
type: UnificationXref
id: 5886
db: PubChem-compound

Transport13902
type: Transport
participant stoichiometry: Compound/PW C009231 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009231 Cytosol/Stoichiometry/1.0
right: Methimazole
spontaneous: false
left: Methimazole
name: Methimazole (→) Transport: Homo sapiens, Extracellular Space to Homo sapiens, Cell, Cytosol
conversion direction: LEFT_TO_RIGHT

Type I iodothyronine deiodinase
type: ProteinReference
xref: Reference/UniProt P49895
organism: Homo sapiens

Iodotyrosine
type: SmallMolecule
cellular location: Extracellular Space
entity reference: Iodotyrosine

Reference/KEGG Compound C01060
type: UnificationXref
id: C01060
db: KEGG Compound

Compound/PW C040034 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Hydrogen Ion
stoichiometric coefficient: 1.0

Thyroglobulin (Homo sapiens)_2-Aminoacrylic acid
type: Complex
component stoichiometry: Compound/PW C001938 Extracellular Space/Stoichiometry/1.0
component stoichiometry: Protein/5798 Extracellular Space/Stoichiometry/1.0
cellular location: Extracellular Space
component: Thyroglobulin
component: 2-Aminoacrylic acid

ChemicalStructure/PW C009231
type: ChemicalStructure
structure format: SMILES
structure data: CN1C=CNC1=S

Reference/PathWhiz PW126392
type: UnificationXref
id: PW126392
db: PathWhiz

Reference/UniProt Q92911
type: UnificationXref
id: Q92911
db: UniProt

Compound/PW C000014 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Iodotyrosine
stoichiometric coefficient: 1.0

BoundComplex/570 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Thyroglobulin (Homo sapiens)_3,5-Diiodo-L-tyrosine
stoichiometric coefficient: 1.0

Reference/UniProt P01266
type: UnificationXref
id: P01266
db: UniProt

Liothyronine
type: SmallMolecule
cellular location: Cytosol
entity reference: Liothyronine
name: SubPathwayOutput

Thyroglobulin
type: Protein
cellular location: Extracellular Space
entity reference: Thyroglobulin

ChemicalStructure/PW C008906
type: ChemicalStructure
structure format: SMILES
structure data: CCOC(=O)N1C=CN(C)C1=S

Reference/BioCyc DIIODO-L-TYROSINE
type: UnificationXref
id: DIIODO-L-TYROSINE
db: BioCyc

Reference/UniProt Q9NPH5
type: UnificationXref
id: Q9NPH5
db: UniProt

Reference/CAS 22232-54-8
type: UnificationXref
id: 22232-54-8
db: CAS

Reference/CAS 51-48-9
type: UnificationXref
id: 51-48-9
db: CAS

Reference/PubChem-compound 22833512
type: UnificationXref
id: 22833512
db: PubChem-compound

Hydrogen peroxide
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0003125
xref: Reference/PubChem-compound 784
xref: Reference/ChemSpider 763
xref: Reference/CAS 7722-84-1
xref: Reference/BioCyc HYDROGEN-PEROXIDE
xref: Reference/ChEBI CHEBI 16240
xref: Reference/KEGG Compound C00027
chemical formula: H2O2
molecular weight: 34.005478
structure: ChemicalStructure/PW C001783

Water
type: SmallMoleculeReference
xref: Reference/PubChem-compound 962
xref: Reference/ChEBI CHEBI 15377
xref: Reference/KEGG Compound C00001
xref: Reference/ChemSpider 937
xref: Reference/HMDB HMDB0002111
xref: Reference/CAS 7732-18-5
chemical formula: H2O
molecular weight: 18.010565
structure: ChemicalStructure/PW C001420

Reference/SMPDB SMP0124888
type: UnificationXref
id: SMP0124888
db: SMPDB

NADPH oxidase 3
type: Protein
cellular location: Cytosol
entity reference: NADPH oxidase 3

Thyroid peroxidase
type: Protein
cellular location: Extracellular Space
entity reference: Thyroid peroxidase

Reference/ChemSpider 5707
type: UnificationXref
id: 5707
db: ChemSpider

Protein/2011 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cytochrome b-245 light chain
stoichiometric coefficient: 1.0

BoundComplex/569 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Thyroglobulin (Homo sapiens)_Iodotyrosine
stoichiometric coefficient: 1.0

Thyroxine
type: SmallMolecule
cellular location: Extracellular Space
entity reference: Thyroxine

Thyroglobulin
type: Protein
cellular location: Cytosol
entity reference: Thyroglobulin
name: SubPathwayOutput

Reference/PubChem-compound 1349907
type: UnificationXref
id: 1349907
db: PubChem-compound

Reference/ChEBI CHEBI 17895
type: UnificationXref
id: CHEBI:17895
db: ChEBI

Unknown
type: Protein
cellular location: Extracellular Space
entity reference: Unknown

Sodium
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0000588
xref: Reference/PubChem-compound 923
xref: Reference/KEGG Compound C01330
xref: Reference/ChEBI CHEBI 29101
xref: Reference/ChemSpider 899
xref: Reference/CAS 17341-25-2
chemical formula: Na
molecular weight: 22.989769
structure: ChemicalStructure/PW C000458

Type I iodothyronine deiodinase
type: Protein
cellular location: Cytosol
entity reference: Type I iodothyronine deiodinase

Reference/HMDB HMDB0059597
type: UnificationXref
id: HMDB0059597
db: HMDB

Reference/UniProt P49895
type: UnificationXref
id: P49895
db: UniProt

Reference/KEGG Compound C07615
type: UnificationXref
id: C07615
db: KEGG Compound

Reference/ChEBI CHEBI 50673
type: UnificationXref
id: CHEBI:50673
db: ChEBI

Reaction218073
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001420 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C007784 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001783 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000532 Extracellular Space/Stoichiometry/1.0
right: Iodine
right: Water
spontaneous: false
left: Iodide
left: Hydrogen Ion
left: Hydrogen peroxide
name: Hydrogen Ion + Hydrogen peroxide + Iodide ↔ Iodine + Water
conversion direction: REVERSIBLE

Reference/ChemSpider 110510
type: UnificationXref
id: 110510
db: ChemSpider

1.11.1.8
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001420 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001783 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: BoundComplex/570 Extracellular Space/Stoichiometry/2.0
participant stoichiometry: BoundComplex/571 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: BoundComplex/572 Extracellular Space/Stoichiometry/1.0
right: Thyroglobulin (Homo sapiens)_2-Aminoacrylic acid
right: Water
right: Thyroxine_Thyroglobulin (Homo sapiens)
spontaneous: false
EC number: 1.11.1.8
left: Thyroglobulin (Homo sapiens)_3,5-Diiodo-L-tyrosine
left: Hydrogen peroxide
name: Hydrogen peroxide + 2 Thyroglobulin (Homo sapiens) + 3,5-Diiodo-L-tyrosine ↔ Thyroglobulin (Homo sapiens) + 2-Aminoacrylic acid + Thyroxine + Thyroglobulin (Homo sapiens) + Water
conversion direction: REVERSIBLE

Reaction218078
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001420 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: BoundComplex/570 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: BoundComplex/573 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001783 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: BoundComplex/569 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: BoundComplex/572 Extracellular Space/Stoichiometry/1.0
right: Thyroglobulin (Homo sapiens)_Liothyronine
right: Thyroglobulin (Homo sapiens)_2-Aminoacrylic acid
right: Water
spontaneous: false
left: Thyroglobulin (Homo sapiens)_Iodotyrosine
left: Thyroglobulin (Homo sapiens)_3,5-Diiodo-L-tyrosine
left: Hydrogen peroxide
name: Hydrogen peroxide + Thyroglobulin (Homo sapiens) + 3,5-Diiodo-L-tyrosine + Thyroglobulin (Homo sapiens) + Iodotyrosine ↔ Thyroglobulin (Homo sapiens) + 2-Aminoacrylic acid + Thyroglobulin (Homo sapiens) + Liothyronine + Water
conversion direction: REVERSIBLE

Reference/UniProt P13498
type: UnificationXref
id: P13498
db: UniProt

1.11.1.8
type: BiochemicalReaction
participant stoichiometry: BoundComplex/570 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Protein/5798 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000532 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: BoundComplex/569 Extracellular Space/Stoichiometry/1.0
right: Thyroglobulin (Homo sapiens)_Iodotyrosine
right: Thyroglobulin (Homo sapiens)_3,5-Diiodo-L-tyrosine
spontaneous: false
EC number: 1.11.1.8
left: Iodine
left: Thyroglobulin
name: Iodine + Thyroglobulin ↔ Thyroglobulin (Homo sapiens) + 3,5-Diiodo-L-tyrosine + Thyroglobulin (Homo sapiens) + Iodotyrosine
conversion direction: REVERSIBLE

Thyroglobulin (Homo sapiens)_Liothyronine
type: Complex
component stoichiometry: Protein/5798 Cytosol/Stoichiometry/1.0
component stoichiometry: Compound/PW C000181 Cytosol/Stoichiometry/1.0
cellular location: Cytosol
component: Liothyronine
component: Thyroglobulin
name: SubPathwayInput

Cytochrome b-245 heavy chain
type: Protein
cellular location: Cell Membrane
entity reference: Cytochrome b-245 heavy chain

Reference/HMDB HMDB0003474
type: UnificationXref
id: HMDB0003474
db: HMDB