Reference/ChEBI CHEBI 16015
type: UnificationXref
id: CHEBI:16015
db: ChEBI

acetohydroxy acid isomeroreductase
type: Complex
component stoichiometry: Protein/27293/Stoichiometry/4.0
component: Unknown

Reference/ChemSpider 30572
type: UnificationXref
id: 30572
db: ChemSpider

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

dihydroxy acid dehydratase
type: Complex
component stoichiometry: Protein/27293/Stoichiometry/2.0
component: Unknown

Reference/PubChem-compound 6022
type: UnificationXref
id: 6022
db: PubChem-compound

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

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

acetohydroxybutanoate synthase / acetolactate synthase
type: Complex
component stoichiometry: Protein/27293/Stoichiometry/2.0
component: Unknown

ReactionCoupledTransportCatalysis10758
type: Catalysis
controller: Unknown
controlled: ReactionCoupledTransport10696
control type: ACTIVATION

Reference/ChemSpider 57
type: UnificationXref
id: 57
db: ChemSpider

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

Reference/ChemSpider 50
type: UnificationXref
id: 50
db: ChemSpider

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

Reference/CAS 73-32-5
type: UnificationXref
id: 73-32-5
db: CAS

ReactionCoupledTransport10696
type: TransportWithBiochemicalReaction
participant stoichiometry: Compound/PW C040034 Inner Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000414 Inner Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000112 Inner Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Inner Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001034 Inner Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001104 Inner Membrane/Stoichiometry/1.0
right: Phosphate
right: Adenosine diphosphate
right: L-Isoleucine
right: Hydrogen Ion
spontaneous: false
left: Water
left: Adenosine triphosphate
left: L-Isoleucine
name: Adenosine triphosphate + L-Isoleucine + Water → Adenosine diphosphate + Hydrogen Ion + L-Isoleucine + Phosphate
conversion direction: LEFT_TO_RIGHT

Threonine Biosynthesis
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway412092
pathway component: SubPathwayInteraction412092
xref: Reference/SMPDB SMP0000837
xref: Reference/PathWhiz PW000817
name: SubPathway

Reference/HMDB HMDB0000538
type: UnificationXref
id: HMDB0000538
db: HMDB

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

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

Compound/PW C001034 Inner Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Adenosine diphosphate
stoichiometric coefficient: 1.0

Ammonium
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0041827
xref: Reference/CAS 14798-03-9
xref: Reference/PubChem-compound 16741146
xref: Reference/KEGG Compound C01342
xref: Reference/ChEBI CHEBI 28938
xref: Reference/ChemSpider 218
chemical formula: H4N
molecular weight: 18.034374
structure: ChemicalStructure/PW C022608

Compound/PW C000095/Stoichiometry/1.0
type: Stoichiometry
physical entity: L-Glutamic acid
stoichiometric coefficient: 1.0

Reference/PubChem-compound 51
type: UnificationXref
id: 51
db: PubChem-compound

Reference/ChemSpider 46
type: UnificationXref
id: 46
db: ChemSpider

Pyruvic acid
type: SmallMolecule
entity reference: Pyruvic acid

SubPathwayInteraction412092
type: Interaction
name: SubPathway412092Reaction
name: SubPathwayReaction
participant: L-Threonine

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

Reference/PubChem-compound 19796801
type: UnificationXref
id: 19796801
db: PubChem-compound

Reference/PubChem-compound 58
type: UnificationXref
id: 58
db: PubChem-compound

Pyruvic acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 1060
xref: Reference/HMDB HMDB0000243
xref: Reference/CAS 127-17-3
xref: Reference/BioCyc PYRUVATE
xref: Reference/KEGG Compound C00022
xref: Reference/ChEBI CHEBI 32816
xref: Reference/ChemSpider 1031
chemical formula: C3H4O3
molecular weight: 88.016045
structure: ChemicalStructure/PW C000164

Reference/PubChem-compound 6288
type: UnificationXref
id: 6288
db: PubChem-compound

Reference/CAS 562-43-6
type: UnificationXref
id: 562-43-6
db: CAS

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

Reaction2924
type: BiochemicalReaction
participant stoichiometry: Compound/PW C022608/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000003/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040940/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034/Stoichiometry/1.0
right: Ammonium
right: 2-Ketobutyric acid
spontaneous: true
left: 2-iminobutanoate
left: Water
left: Hydrogen Ion
name: 2-iminobutanoate + Hydrogen Ion + Water → 2-Ketobutyric acid + Ammonium
conversion direction: LEFT_TO_RIGHT

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

Reference/ChemSpider 5742
type: UnificationXref
id: 5742
db: ChemSpider

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

Isoleucine Biosynthesis
type: Pathway
pathway order: PathwayTransport/5876415
pathway order: PathwaySubPathway/412092
pathway order: PathwayEnzymeReaction/5876409
pathway order: PathwayEnzymeReaction/5876405
pathway order: PathwayEnzymeReaction/5876404
pathway order: PathwayEnzymeReaction/5876407
pathway order: PathwayEnzymeReaction/5876401
pathway order: PathwayEnzymeReaction/5876412
pathway order: PathwayEnzymeReaction/5876400
pathway order: PathwayEnzymeReaction/5876411
pathway order: PathwayEnzymeReaction/5876403
pathway order: PathwayEnzymeReaction/5876414
pathway order: PathwayEnzymeReaction/5876399
pathway component: Reaction773089
pathway component: ReactionCoupledTransport10696
pathway component: 2.2.1.6
pathway component: Threonine Biosynthesis
pathway component: Reaction2924
pathway component: Reaction773087
pathway component: Transport55113
pathway component: ReactionCatalysis775460
pathway component: TransportCatalysis36125
pathway component: ReactionCoupledTransportCatalysis10758
pathway component: ReactionCatalysis775452
pathway component: Reaction2923
pathway component: Reaction773091
pathway component: ReactionCatalysis775462
pathway component: Reaction5890
pathway component: 4.3.1.19
pathway component: ReactionCatalysis775454
pathway component: ReactionCatalysis775453
pathway component: ReactionCatalysis775455
pathway component: ReactionCatalysis775458
xref: Reference/SMPDB SMP0402215
xref: Reference/PathWhiz PW413461
organism: Escherichia coli (strain ATCC 8739 / DSM 1576 / Crooks)

TransportCatalysis36125
type: Catalysis
controller: Unknown
controlled: Transport55113
control type: ACTIVATION

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

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

Unknown
type: Protein
cellular location: Inner Membrane
entity reference: Unknown

Reference/ChemSpider 274
type: UnificationXref
id: 274
db: ChemSpider

Reaction2923
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040940/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040939/Stoichiometry/1.0
right: 2-iminobutanoate
spontaneous: true
left: (2Z)-2-aminobut-2-enoate
name: (2Z)-2-aminobut-2-enoate → 2-iminobutanoate
conversion direction: LEFT_TO_RIGHT

Oxoglutaric acid
type: SmallMoleculeReference
xref: Reference/CAS 328-50-7
xref: Reference/PubChem-compound 51
xref: Reference/BioCyc 2-KETOGLUTARATE
xref: Reference/HMDB HMDB0000208
xref: Reference/ChEBI CHEBI 30915
xref: Reference/KEGG Compound C00026
xref: Reference/ChemSpider 50
chemical formula: C5H6O5
molecular weight: 146.02153
structure: ChemicalStructure/PW C000134

3-Methyl-2-oxovaleric acid
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 35932
xref: Reference/ChemSpider 46
xref: Reference/CAS 1460-34-0
xref: Reference/BioCyc 2-KETO-3-METHYL-VALERATE
xref: Reference/HMDB HMDB0000491
xref: Reference/PubChem-compound 47
xref: Reference/KEGG Compound C03465
chemical formula: C6H10O3
molecular weight: 130.06299
structure: ChemicalStructure/PW C000373

Protein/27293/Stoichiometry/2.0
type: Stoichiometry
physical entity: Unknown
stoichiometric coefficient: 2.0

Reference/KEGG Compound C00109
type: UnificationXref
id: C00109
db: KEGG Compound

Phosphate
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00009
xref: Reference/PubChem-compound 1061
xref: Reference/CAS 14265-44-2
xref: Reference/HMDB HMDB0001429
xref: Reference/BioCyc CPD-8587
xref: Reference/ChEBI CHEBI 18367
xref: Reference/ChemSpider 1032
chemical formula: H3O4P
molecular weight: 97.9769
structure: ChemicalStructure/PW C001104

NADPH
type: SmallMolecule
entity reference: NADPH

Compound/PW C000112 Periplasmic Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: L-Isoleucine
stoichiometric coefficient: 1.0

ChemicalStructure/PW C040939
type: ChemicalStructure
structure format: SMILES
structure data: CC=C(N)C([O-])=O

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

Reference/GENE ONTOLOGY GO 0070258
type: UnificationXref
id: GO:0070258
db: GENE ONTOLOGY

(R) 2,3-Dihydroxy-3-methylvalerate
type: SmallMoleculeReference
xref: Reference/BioCyc 1-KETO-2-METHYLVALERATE
xref: Reference/PubChem-compound 448154
xref: Reference/CAS 562-43-6
xref: Reference/ChEBI CHEBI 27512
xref: Reference/HMDB HMDB0012140
xref: Reference/KEGG Compound C06007
xref: Reference/ChemSpider 395044
chemical formula: C6H12O4
molecular weight: 148.07356
structure: ChemicalStructure/PW C007698

Reference/TAXONOMY 481805
type: UnificationXref
id: 481805
db: TAXONOMY

(R) 2,3-Dihydroxy-3-methylvalerate
type: SmallMolecule
entity reference: (R) 2,3-Dihydroxy-3-methylvalerate

Reference/CAS 600-18-0
type: UnificationXref
id: 600-18-0
db: CAS

NADP
type: SmallMolecule
entity reference: NADP

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

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

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

Reaction773089
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001420/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000373/Stoichiometry/1.0
participant stoichiometry: Compound/PW C007698/Stoichiometry/1.0
right: Water
right: 3-Methyl-2-oxovaleric acid
spontaneous: false
left: (R) 2,3-Dihydroxy-3-methylvalerate
name: (R) 2,3-Dihydroxy-3-methylvalerate → 3-Methyl-2-oxovaleric acid + Water
conversion direction: LEFT_TO_RIGHT

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

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

Ammonium
type: SmallMolecule
entity reference: Ammonium

Unknown
type: Protein
entity reference: Unknown

2.2.1.6
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001316/Stoichiometry/1.0
participant stoichiometry: Compound/PW C003002/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000003/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000164/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034/Stoichiometry/1.0
right: (S)-2-Aceto-2-hydroxybutanoic acid
right: Carbon dioxide
spontaneous: false
EC number: 2.2.1.6
left: Hydrogen Ion
left: Pyruvic acid
left: 2-Ketobutyric acid
name: 2-Ketobutyric acid + Hydrogen Ion + Pyruvic acid → (S)-2-Aceto-2-hydroxybutanoic acid + Carbon dioxide
conversion direction: LEFT_TO_RIGHT

Reference/ChEBI CHEBI 16857
type: UnificationXref
id: CHEBI:16857
db: ChEBI

Hydrogen Ion
type: SmallMolecule
entity reference: Hydrogen Ion

Reaction773087
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000146/Stoichiometry/1.0
participant stoichiometry: Compound/PW C003002/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000143/Stoichiometry/1.0
participant stoichiometry: Compound/PW C007698/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034/Stoichiometry/1.0
right: (R) 2,3-Dihydroxy-3-methylvalerate
right: NADP
spontaneous: false
left: (S)-2-Aceto-2-hydroxybutanoic acid
left: Hydrogen Ion
left: NADPH
name: (S)-2-Aceto-2-hydroxybutanoic acid + Hydrogen Ion + NADPH → (R) 2,3-Dihydroxy-3-methylvalerate + NADP
conversion direction: LEFT_TO_RIGHT

Reference/HMDB HMDB0000208
type: UnificationXref
id: HMDB0000208
db: HMDB

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

Reference/ChemSpider 218
type: UnificationXref
id: 218
db: ChemSpider

Compound/PW C000112 Inner Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: L-Isoleucine
stoichiometric coefficient: 1.0

(S)-2-Aceto-2-hydroxybutanoic acid
type: SmallMolecule
entity reference: (S)-2-Aceto-2-hydroxybutanoic acid

ChemicalStructure/PW C000373
type: ChemicalStructure
structure format: SMILES
structure data: CCC(C)C(=O)C(O)=O

Reference/CAS 72-19-5
type: UnificationXref
id: 72-19-5
db: CAS

L-Glutamic acid
type: SmallMolecule
entity reference: L-Glutamic acid

Reference/ChEBI CHEBI 27512
type: UnificationXref
id: CHEBI:27512
db: ChEBI

Compound/PW C003002/Stoichiometry/1.0
type: Stoichiometry
physical entity: (S)-2-Aceto-2-hydroxybutanoic acid
stoichiometric coefficient: 1.0

ChemicalStructure/PW C001104
type: ChemicalStructure
structure format: SMILES
structure data: OP(O)(O)=O

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

ChemicalStructure/PW C000134
type: ChemicalStructure
structure format: SMILES
structure data: OC(=O)CCC(=O)C(O)=O

ReactionCatalysis775452
type: Catalysis
controller: threonine deaminase
controlled: 4.3.1.19
control type: ACTIVATION

Reference/CAS 124-38-9
type: UnificationXref
id: 124-38-9
db: CAS

Reaction773091
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000095/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000373/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000112/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000134/Stoichiometry/1.0
right: Oxoglutaric acid
right: L-Isoleucine
spontaneous: false
left: L-Glutamic acid
left: 3-Methyl-2-oxovaleric acid
name: 3-Methyl-2-oxovaleric acid + L-Glutamic acid → L-Isoleucine + Oxoglutaric acid
conversion direction: LEFT_TO_RIGHT

Reference/ChEBI CHEBI 30915
type: UnificationXref
id: CHEBI:30915
db: ChEBI

Reaction5890
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000373/Stoichiometry/1.0
participant stoichiometry: Compound/PW C043013/Stoichiometry/1.0
right: 2-Keto-3-methyl-valerate
spontaneous: true
left: 3-Methyl-2-oxovaleric acid
name: 3-Methyl-2-oxovaleric acid ↔ 2-Keto-3-methyl-valerate
conversion direction: REVERSIBLE

ReactionCatalysis775454
type: Catalysis
controller: acetohydroxybutanoate synthase / acetolactate synthase 2
controlled: 2.2.1.6
control type: ACTIVATION

Compound/PW C040940/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-iminobutanoate
stoichiometric coefficient: 1.0

ReactionCatalysis775453
type: Catalysis
controller: acetohydroxybutanoate synthase / acetolactate synthase
controlled: 2.2.1.6
control type: ACTIVATION

Compound/PW C007698/Stoichiometry/1.0
type: Stoichiometry
physical entity: (R) 2,3-Dihydroxy-3-methylvalerate
stoichiometric coefficient: 1.0

ReactionCatalysis775455
type: Catalysis
controller: acetolactate synthase / acetohydroxybutanoate synthase 3
controlled: 2.2.1.6
control type: ACTIVATION

Hydrogen Ion
type: SmallMolecule
cellular location: Inner Membrane
entity reference: Hydrogen Ion

ReactionCatalysis775458
type: Catalysis
controller: acetohydroxy acid isomeroreductase
controlled: Reaction773087
control type: ACTIVATION

L-Isoleucine
type: SmallMolecule
cellular location: Periplasmic Space
entity reference: L-Isoleucine

Reference/KEGG Compound C00009
type: UnificationXref
id: C00009
db: KEGG Compound

Reference/KEGG Compound C00008
type: UnificationXref
id: C00008
db: KEGG Compound

2-iminobutanoate
type: SmallMolecule
entity reference: 2-iminobutanoate

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

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

ReactionCatalysis775460
type: Catalysis
controller: dihydroxy acid dehydratase
controlled: Reaction773089
control type: ACTIVATION

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

Reference/HMDB HMDB0001429
type: UnificationXref
id: HMDB0001429
db: HMDB

Reference/CAS 1460-34-0
type: UnificationXref
id: 1460-34-0
db: CAS

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

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

Reference/ChEBI CHEBI 18367
type: UnificationXref
id: CHEBI:18367
db: ChEBI

Reference/BioCyc 2-OXOBUTANOATE
type: UnificationXref
id: 2-OXOBUTANOATE
db: BioCyc

Inner Membrane
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0070258

Reference/ChemSpider 1032
type: UnificationXref
id: 1032
db: ChemSpider

(2Z)-2-aminobut-2-enoate
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 58739
chemical formula: C4H6NO2
molecular weight: 100.040405
structure: ChemicalStructure/PW C040939

Reference/ChemSpider 1031
type: UnificationXref
id: 1031
db: ChemSpider

Reference/KEGG Compound C00002
type: UnificationXref
id: C00002
db: KEGG Compound

ChemicalStructure/PW C000143
type: ChemicalStructure
structure format: SMILES

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

Reference/ChemSpider 6051
type: UnificationXref
id: 6051
db: ChemSpider

(2Z)-2-aminobut-2-enoate
type: SmallMolecule
entity reference: (2Z)-2-aminobut-2-enoate

ChemicalStructure/PW C000146
type: ChemicalStructure
structure format: SMILES

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

ChemicalStructure/PW C007698
type: ChemicalStructure
structure format: SMILES
structure data: CC[C@@](C)(O)[C@@H](O)C(O)=O

ReactionCatalysis775462
type: Catalysis
controller: branched-chain amino-acid aminotransferase
controlled: Reaction773091
control type: ACTIVATION

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

4.3.1.19
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000109/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040939/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034/Stoichiometry/1.0
right: Water
right: (2Z)-2-aminobut-2-enoate
right: Hydrogen Ion
spontaneous: false
EC number: 4.3.1.19
left: L-Threonine
name: L-Threonine → (2Z)-2-aminobut-2-enoate + Hydrogen Ion + Water
conversion direction: LEFT_TO_RIGHT

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

2-iminobutanoate
type: SmallMoleculeReference
xref: Reference/PubChem-compound 19796801
chemical formula: C4H6NO2
molecular weight: 100.040405
structure: ChemicalStructure/PW C040940

Compound/PW C000373/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-Methyl-2-oxovaleric acid
stoichiometric coefficient: 1.0

Reference/KEGG Compound C01342
type: UnificationXref
id: C01342
db: KEGG Compound

Reference/KEGG Compound C00011
type: UnificationXref
id: C00011
db: KEGG Compound

ChemicalStructure/PW C001316
type: ChemicalStructure
structure format: SMILES
structure data: O=C=O

Reference/ChEBI CHEBI 28938
type: UnificationXref
id: CHEBI:28938
db: ChEBI

L-Isoleucine
type: SmallMolecule
cellular location: Inner Membrane
entity reference: L-Isoleucine

ChemicalStructure/PW C000109
type: ChemicalStructure
structure format: SMILES
structure data: C[C@@H](O)[C@H](N)C(O)=O

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

ChemicalStructure/PW C000112
type: ChemicalStructure
structure format: SMILES
structure data: CC[C@H](C)[C@H](N)C(O)=O

Reference/PubChem-compound 5957
type: UnificationXref
id: 5957
db: PubChem-compound

Reference/GENE ONTOLOGY GO 0005620
type: UnificationXref
id: GO:0005620
db: GENE ONTOLOGY

Reference/PubChem-compound 47
type: UnificationXref
id: 47
db: PubChem-compound

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

Compound/PW C000003/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-Ketobutyric acid
stoichiometric coefficient: 1.0

Reference/KEGG Compound C00022
type: UnificationXref
id: C00022
db: KEGG Compound

Reference/CAS 56-65-5
type: UnificationXref
id: 56-65-5
db: CAS

Reference/KEGG Compound C06006
type: UnificationXref
id: C06006
db: KEGG Compound

Reference/ChemSpider 6067
type: UnificationXref
id: 6067
db: ChemSpider

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

Reference/KEGG Compound C06007
type: UnificationXref
id: C06007
db: KEGG Compound

Reference/KEGG Compound C00026
type: UnificationXref
id: C00026
db: KEGG Compound

Reference/PubChem-compound 440875
type: UnificationXref
id: 440875
db: PubChem-compound

Reference/KEGG Compound C00025
type: UnificationXref
id: C00025
db: KEGG Compound

Reference/HMDB HMDB0000243
type: UnificationXref
id: HMDB0000243
db: HMDB

L-Threonine
type: SmallMolecule
cellular location: Cytosol
entity reference: L-Threonine
name: SubPathwayOutput

Adenosine diphosphate
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00008
xref: Reference/PubChem-compound 6022
xref: Reference/ChemSpider 5800
xref: Reference/CAS 58-64-0
xref: Reference/BioCyc ADP
xref: Reference/ChEBI CHEBI 16761
xref: Reference/HMDB HMDB0001341
chemical formula: C10H15N5O10P2
molecular weight: 427.02942
structure: ChemicalStructure/PW C001034

Reference/HMDB HMDB0000005
type: UnificationXref
id: HMDB0000005
db: HMDB

ChemicalStructure/PW C000003
type: ChemicalStructure
structure format: SMILES
structure data: CCC(=O)C(O)=O

Reference/HMDB HMDB0006900
type: UnificationXref
id: HMDB0006900
db: HMDB

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

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

Reference/BioCyc 1-KETO-2-METHYLVALERATE
type: UnificationXref
id: 1-KETO-2-METHYLVALERATE
db: BioCyc

Reference/PubChem-compound 448154
type: UnificationXref
id: 448154
db: PubChem-compound

Reference/SMPDB SMP0402215
type: UnificationXref
id: SMP0402215
db: SMPDB

Adenosine triphosphate
type: SmallMolecule
cellular location: Inner Membrane
entity reference: Adenosine triphosphate

Transport55113
type: Transport
participant stoichiometry: Compound/PW C000112 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000112 Periplasmic Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000458 Periplasmic Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000458 Cytosol/Stoichiometry/1.0
right: Sodium
right: L-Isoleucine
spontaneous: false
left: Sodium
left: L-Isoleucine
name: L-Isoleucine (→), Sodium (→) Transport: Escherichia coli (strain ATCC 8739 / DSM 1576 / Crooks), Periplasmic Space to Escherichia coli (strain ATCC 8739 / DSM 1576 / Crooks), Cytosol
conversion direction: LEFT_TO_RIGHT

Reference/PubChem-compound 6306
type: UnificationXref
id: 6306
db: PubChem-compound

Reference/BioCyc CPD-8587
type: UnificationXref
id: CPD-8587
db: BioCyc

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

Reference/ChEBI CHEBI 30831
type: UnificationXref
id: CHEBI:30831
db: ChEBI

Reference/CAS 328-50-7
type: UnificationXref
id: 328-50-7
db: CAS

Water
type: SmallMolecule
entity reference: Water

Compound/PW C000112/Stoichiometry/1.0
type: Stoichiometry
physical entity: L-Isoleucine
stoichiometric coefficient: 1.0

Reference/HMDB HMDB0000491
type: UnificationXref
id: HMDB0000491
db: HMDB

Reference/ChemSpider 395044
type: UnificationXref
id: 395044
db: ChemSpider

Reference/HMDB HMDB0001341
type: UnificationXref
id: HMDB0001341
db: HMDB

Phosphate
type: SmallMolecule
cellular location: Inner Membrane
entity reference: Phosphate

Compound/PW C000414 Inner Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Adenosine triphosphate
stoichiometric coefficient: 1.0

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

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

ChemicalStructure/PW C001034
type: ChemicalStructure
structure format: SMILES

Compound/PW C000112 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: L-Isoleucine
stoichiometric coefficient: 1.0

Reference/CAS 14798-03-9
type: UnificationXref
id: 14798-03-9
db: CAS

Reference/HMDB HMDB0000148
type: UnificationXref
id: HMDB0000148
db: HMDB

Reference/ChEBI CHEBI 58739
type: UnificationXref
id: CHEBI:58739
db: ChEBI

Reference/ChEBI CHEBI 17191
type: UnificationXref
id: CHEBI:17191
db: ChEBI

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

Water
type: SmallMolecule
cellular location: Inner Membrane
entity reference: Water

Protein/27293/Stoichiometry/6.0
type: Stoichiometry
physical entity: Unknown
stoichiometric coefficient: 6.0

Reference/ChEBI CHEBI 15422
type: UnificationXref
id: CHEBI:15422
db: ChEBI

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

Compound/PW C000164/Stoichiometry/1.0
type: Stoichiometry
physical entity: Pyruvic acid
stoichiometric coefficient: 1.0

(S)-2-Aceto-2-hydroxybutanoic acid
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0006900
xref: Reference/ChemSpider 389708
xref: Reference/KEGG Compound C06006
xref: Reference/ChEBI CHEBI 27681
xref: Reference/PubChem-compound 440875
chemical formula: C6H10O4
molecular weight: 146.0579
structure: ChemicalStructure/PW C003002

Reference/CAS 127-17-3
type: UnificationXref
id: 127-17-3
db: CAS

Compound/PW C001316/Stoichiometry/1.0
type: Stoichiometry
physical entity: Carbon dioxide
stoichiometric coefficient: 1.0

branched-chain amino-acid aminotransferase
type: Complex
component stoichiometry: Protein/27293/Stoichiometry/6.0
component: Unknown

Reference/CAS 56-86-0
type: UnificationXref
id: 56-86-0
db: CAS

Reference/ChemSpider 389708
type: UnificationXref
id: 389708
db: ChemSpider

Unknown
type: ProteinReference

L-Glutamic acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 33032
xref: Reference/ChEBI CHEBI 16015
xref: Reference/ChemSpider 30572
xref: Reference/HMDB HMDB0000148
xref: Reference/CAS 56-86-0
xref: Reference/BioCyc GLT
xref: Reference/KEGG Compound C00025
chemical formula: C5H9NO4
molecular weight: 147.05316
structure: ChemicalStructure/PW C000095

Reference/PubChem-compound 33032
type: UnificationXref
id: 33032
db: PubChem-compound

ChemicalStructure/PW C022608
type: ChemicalStructure
structure format: SMILES
structure data: [NH4+]

Reference/SMPDB SMP0000837
type: UnificationXref
id: SMP0000837
db: SMPDB

Reference/PubChem-compound 6857401
type: UnificationXref
id: 6857401
db: PubChem-compound

Adenosine triphosphate
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 15422
xref: Reference/PubChem-compound 5957
xref: Reference/HMDB HMDB0000538
xref: Reference/CAS 56-65-5
xref: Reference/ChemSpider 5742
xref: Reference/BioCyc ATP
xref: Reference/KEGG Compound C00002
chemical formula: C10H16N5O13P3
molecular weight: 506.99576
structure: ChemicalStructure/PW C000414

Reference/ChEBI CHEBI 16526
type: UnificationXref
id: CHEBI:16526
db: ChEBI

Reference/KEGG Compound C00188
type: UnificationXref
id: C00188
db: KEGG Compound

Reference/HMDB HMDB0012140
type: UnificationXref
id: HMDB0012140
db: HMDB

Compound/PW C000134/Stoichiometry/1.0
type: Stoichiometry
physical entity: Oxoglutaric acid
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 35146
type: UnificationXref
id: CHEBI:35146
db: ChEBI

Reference/ChEBI CHEBI 16761
type: UnificationXref
id: CHEBI:16761
db: ChEBI

Reference/HMDB HMDB0000167
type: UnificationXref
id: HMDB0000167
db: HMDB

ChemicalStructure/PW C000164
type: ChemicalStructure
structure format: SMILES
structure data: CC(=O)C(O)=O

Compound/PW C000109/Stoichiometry/1.0
type: Stoichiometry
physical entity: L-Threonine
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 35932
type: UnificationXref
id: CHEBI:35932
db: ChEBI

ChemicalStructure/PW C043013
type: ChemicalStructure
structure format: SMILES
structure data: CC[C@H](C)C(=O)C([O-])=O

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

L-Threonine
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0000167
xref: Reference/PubChem-compound 6288
xref: Reference/CAS 72-19-5
xref: Reference/ChemSpider 6051
xref: Reference/ChEBI CHEBI 16857
xref: Reference/KEGG Compound C00188
xref: Reference/BioCyc THR
chemical formula: C4H9NO3
molecular weight: 119.05824
structure: ChemicalStructure/PW C000109

Reference/BioCyc 2-KETOGLUTARATE
type: UnificationXref
id: 2-KETOGLUTARATE
db: BioCyc

ChemicalStructure/PW C040940
type: ChemicalStructure
structure format: SMILES
structure data: CCC(=N)C([O-])=O

Reference/ChemSpider 5800
type: UnificationXref
id: 5800
db: ChemSpider

Reference/BioCyc 2-KETO-3-METHYL-VALERATE
type: UnificationXref
id: 2-KETO-3-METHYL-VALERATE
db: BioCyc

Carbon dioxide
type: SmallMoleculeReference
xref: Reference/PubChem-compound 280
xref: Reference/ChEBI CHEBI 16526
xref: Reference/ChemSpider 274
xref: Reference/HMDB HMDB0001967
xref: Reference/CAS 124-38-9
xref: Reference/KEGG Compound C00011
chemical formula: CO2
molecular weight: 43.98983
structure: ChemicalStructure/PW C001316

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

Reference/KEGG Compound C03465
type: UnificationXref
id: C03465
db: KEGG Compound

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

Periplasmic Space
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0005620

Escherichia coli (strain ATCC 8739 / DSM 1576 / Crooks)
type: BioSource
xref: Reference/TAXONOMY 481805

Oxoglutaric acid
type: SmallMolecule
entity reference: Oxoglutaric acid

ChemicalStructure/PW C003002
type: ChemicalStructure
structure format: SMILES
structure data: CC[C@](O)(C(C)=O)C(O)=O

3-Methyl-2-oxovaleric acid
type: SmallMolecule
entity reference: 3-Methyl-2-oxovaleric acid

L-Isoleucine
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00407
xref: Reference/ChEBI CHEBI 17191
xref: Reference/PubChem-compound 6306
xref: Reference/HMDB HMDB0000172
xref: Reference/BioCyc ILE
xref: Reference/ChemSpider 6067
xref: Reference/CAS 73-32-5
chemical formula: C6H13NO2
molecular weight: 131.09464
structure: ChemicalStructure/PW C000112

Reference/HMDB HMDB0000172
type: UnificationXref
id: HMDB0000172
db: HMDB

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

Compound/PW C040939/Stoichiometry/1.0
type: Stoichiometry
physical entity: (2Z)-2-aminobut-2-enoate
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 32816
type: UnificationXref
id: CHEBI:32816
db: ChEBI

ChemicalStructure/PW C000095
type: ChemicalStructure
structure format: SMILES
structure data: N[C@@H](CCC(O)=O)C(O)=O

Reference/PathWhiz PW000817
type: UnificationXref
id: PW000817
db: PathWhiz

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

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

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

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

Reference/CAS 14265-44-2
type: UnificationXref
id: 14265-44-2
db: CAS

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

2-Keto-3-methyl-valerate
type: SmallMolecule
entity reference: 2-Keto-3-methyl-valerate

Reference/KEGG Compound C00407
type: UnificationXref
id: C00407
db: KEGG Compound

Reference/CAS 58-64-0
type: UnificationXref
id: 58-64-0
db: CAS

ChemicalStructure/PW C000414
type: ChemicalStructure
structure format: SMILES

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

2-Ketobutyric acid
type: SmallMolecule
entity reference: 2-Ketobutyric acid

acetohydroxybutanoate synthase / acetolactate synthase 2
type: Complex
component stoichiometry: Protein/27293/Stoichiometry/2.0
component: Unknown

acetolactate synthase / acetohydroxybutanoate synthase 3
type: Complex
component stoichiometry: Protein/27293/Stoichiometry/2.0
component: Unknown

threonine deaminase
type: Complex
component stoichiometry: Protein/27293/Stoichiometry/4.0
component: Unknown

Compound/PW C022608/Stoichiometry/1.0
type: Stoichiometry
physical entity: Ammonium
stoichiometric coefficient: 1.0

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

Compound/PW C040034 Inner Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Hydrogen Ion
stoichiometric coefficient: 1.0

Reference/PubChem-compound 280
type: UnificationXref
id: 280
db: PubChem-compound

2-Ketobutyric acid
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 30831
xref: Reference/HMDB HMDB0000005
xref: Reference/CAS 600-18-0
xref: Reference/ChemSpider 57
xref: Reference/KEGG Compound C00109
xref: Reference/PubChem-compound 58
xref: Reference/BioCyc 2-OXOBUTANOATE
chemical formula: C4H6O3
molecular weight: 102.03169
structure: ChemicalStructure/PW C000003

2-Keto-3-methyl-valerate
type: SmallMoleculeReference
xref: Reference/PubChem-compound 6857401
xref: Reference/ChEBI CHEBI 35146
chemical formula: C6H9O3
molecular weight: 129.05518
structure: ChemicalStructure/PW C043013

Reference/PubChem-compound 16741146
type: UnificationXref
id: 16741146
db: PubChem-compound

Reference/PathWhiz PW413461
type: UnificationXref
id: PW413461
db: PathWhiz

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

L-Isoleucine
type: SmallMolecule
entity reference: L-Isoleucine

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

Protein/27293/Stoichiometry/4.0
type: Stoichiometry
physical entity: Unknown
stoichiometric coefficient: 4.0

Compound/PW C043013/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-Keto-3-methyl-valerate
stoichiometric coefficient: 1.0

Reference/PubChem-compound 1060
type: UnificationXref
id: 1060
db: PubChem-compound

Reference/PubChem-compound 1061
type: UnificationXref
id: 1061
db: PubChem-compound

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

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

Reference/HMDB HMDB0041827
type: UnificationXref
id: HMDB0041827
db: HMDB

Carbon dioxide
type: SmallMolecule
entity reference: Carbon dioxide

Reference/HMDB HMDB0001967
type: UnificationXref
id: HMDB0001967
db: HMDB

L-Threonine
type: SmallMolecule
entity reference: L-Threonine

Compound/PW C001420 Inner Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Water
stoichiometric coefficient: 1.0

Adenosine diphosphate
type: SmallMolecule
cellular location: Inner Membrane
entity reference: Adenosine diphosphate

Reference/ChEBI CHEBI 27681
type: UnificationXref
id: CHEBI:27681
db: ChEBI

Compound/PW C001104 Inner Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Phosphate
stoichiometric coefficient: 1.0