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

Reference/ChemSpider 4444155
type: UnificationXref
id: 4444155
db: ChemSpider

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

Reference/PathWhiz PW483959
type: UnificationXref
id: PW483959
db: PathWhiz

Acetyl-CoA
type: SmallMoleculeReference
xref: Reference/BioCyc ACETYL-COA
xref: Reference/PubChem-compound 444493
xref: Reference/HMDB HMDB0001206
xref: Reference/ChemSpider 392413
xref: Reference/CAS 72-89-9
xref: Reference/ChEBI CHEBI 15351
xref: Reference/KEGG Compound C00024
chemical formula: C23H38N7O17P3S
molecular weight: 809.1258
structure: ChemicalStructure/PW C000940

Reference/ChEBI CHEBI 15603
type: UnificationXref
id: CHEBI:15603
db: ChEBI

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

Secondary Metabolites: Leucine Biosynthesis
type: Pathway
pathway order: PathwayEnzymeReaction/6839598
pathway order: PathwayEnzymeReaction/6839608
pathway order: PathwaySubPathway/511738
pathway order: PathwayEnzymeReaction/6839604
pathway order: PathwayEnzymeReaction/6839605
pathway order: PathwayEnzymeReaction/6839606
pathway order: PathwayEnzymeReaction/6839607
pathway order: PathwayEnzymeReaction/6839600
pathway order: PathwayEnzymeReaction/6839602
pathway component: ReactionCatalysis789859
pathway component: ReactionCatalysis789858
pathway component: Isoleucine Biosynthesis
pathway component: ReactionCatalysis789861
pathway component: ReactionCatalysis789855
pathway component: ReactionCatalysis789857
pathway component: ReactionCatalysis789856
pathway component: Reaction2880
pathway component: ReactionCatalysis789860
pathway component: 2.6.1.42
pathway component: 2.3.3.13
pathway component: 4.2.1.33
pathway component: Reaction786437
pathway component: 1.1.1.85
xref: Reference/PathWhiz PW483959
xref: Reference/SMPDB SMP0464721
organism: Escherichia coli HS

Reference/KEGG Compound C04236
type: UnificationXref
id: C04236
db: KEGG Compound

NADH
type: SmallMolecule
entity reference: NADH

Reference/PubChem-compound 5462261
type: UnificationXref
id: 5462261
db: PubChem-compound

Reference/PubChem-compound 439153
type: UnificationXref
id: 439153
db: PubChem-compound

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

Compound/PW C000301/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-Isopropylmalic acid
stoichiometric coefficient: 1.0

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

Isoleucine Biosynthesis
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway511738
pathway component: SubPathwayInteraction511738
xref: Reference/PathWhiz PW000818
xref: Reference/SMPDB SMP0000838
name: SubPathway

Reference/KEGG Compound C02504
type: UnificationXref
id: C02504
db: KEGG Compound

Reference/PubChem-compound 5462259
type: UnificationXref
id: 5462259
db: PubChem-compound

NAD
type: SmallMolecule
entity reference: NAD

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

Escherichia coli HS
type: BioSource
xref: Reference/TAXONOMY 331112

Reference/PubChem-compound 6816
type: UnificationXref
id: 6816
db: PubChem-compound

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

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

Reference/TAXONOMY 331112
type: UnificationXref
id: 331112
db: TAXONOMY

Reference/ChEBI CHEBI 15846
type: UnificationXref
id: CHEBI:15846
db: ChEBI

Reference/CAS 49601-06-1
type: UnificationXref
id: 49601-06-1
db: CAS

Compound/PW C000940/Stoichiometry/1.0
type: Stoichiometry
physical entity: Acetyl-CoA
stoichiometric coefficient: 1.0

Reference/KEGG Compound C02631
type: UnificationXref
id: C02631
db: KEGG Compound

ChemicalStructure/PW C000547
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)CC(=O)C(O)=O

SubPathwayInteraction511738
type: Interaction
name: SubPathwayReaction
name: SubPathway511738Reaction
participant: 3-Methyl-2-oxovaleric acid

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

tyrosine aminotransferase
type: Complex
component stoichiometry: Protein/28264/Stoichiometry/2.0
component: Unknown

Reference/ChEBI CHEBI 48430
type: UnificationXref
id: CHEBI:48430
db: ChEBI

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

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

Reference/ChEBI CHEBI 16908
type: UnificationXref
id: CHEBI:16908
db: ChEBI

Acetyl-CoA
type: SmallMolecule
entity reference: Acetyl-CoA

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

ChemicalStructure/PW C001099
type: ChemicalStructure
structure format: SMILES

Reference/ChemSpider 69
type: UnificationXref
id: 69
db: ChemSpider

Reference/HMDB HMDB0000687
type: UnificationXref
id: HMDB0000687
db: HMDB

Reference/PubChem-compound 70
type: UnificationXref
id: 70
db: PubChem-compound

ReactionCatalysis789859
type: Catalysis
controller: 3-isopropylmalate dehydrogenase
controlled: 1.1.1.85
control type: ACTIVATION

ReactionCatalysis789858
type: Catalysis
controller: Unknown
controlled: 1.1.1.85
control type: ACTIVATION

Unknown
type: Protein
entity reference: Unknown

Hydrogen Ion
type: SmallMolecule
entity reference: Hydrogen Ion

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

Reference/PubChem-compound 6106
type: UnificationXref
id: 6106
db: PubChem-compound

ReactionCatalysis789855
type: Catalysis
controller: Unknown
controlled: 2.3.3.13
control type: ACTIVATION

ReactionCatalysis789857
type: Catalysis
controller: Unknown
controlled: Reaction786437
control type: ACTIVATION

ReactionCatalysis789856
type: Catalysis
controller: Unknown
controlled: 4.2.1.33
control type: ACTIVATION

Reference/KEGG Compound C00233
type: UnificationXref
id: C00233
db: KEGG Compound

Reference/ChemSpider 5880
type: UnificationXref
id: 5880
db: ChemSpider

Reference/CAS 58-68-4
type: UnificationXref
id: 58-68-4
db: CAS

Reference/HMDB HMDB0000695
type: UnificationXref
id: HMDB0000695
db: HMDB

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

Reference/HMDB HMDB0001423
type: UnificationXref
id: HMDB0001423
db: HMDB

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

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

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

branched-chain amino-acid aminotransferase
type: Complex
component stoichiometry: Protein/28264/Stoichiometry/6.0
component: Unknown

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

3-isopropylmalate dehydrogenase
type: Complex
component stoichiometry: Protein/28264/Stoichiometry/2.0
component: Unknown

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

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

2-Isopropyl-3-oxosuccinate
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0012149
xref: Reference/PubChem-compound 5462259
xref: Reference/BioCyc CPD-7100
xref: Reference/ChEBI CHEBI 1467
xref: Reference/ChemSpider 4575347
xref: Reference/KEGG Compound C04236
chemical formula: C7H10O5
molecular weight: 174.05283
structure: ChemicalStructure/PW C007706

ReactionCatalysis789861
type: Catalysis
controller: branched-chain amino-acid aminotransferase
controlled: 2.6.1.42
control type: ACTIVATION

Compound/PW C000540/Stoichiometry/1.0
type: Stoichiometry
physical entity: L-Leucine
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 35128
type: UnificationXref
id: CHEBI:35128
db: ChEBI

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

Reference/KEGG Compound C00004
type: UnificationXref
id: C00004
db: KEGG Compound

Reference/ChEBI CHEBI 17275
type: UnificationXref
id: CHEBI:17275
db: ChEBI

Reference/KEGG Compound C00003
type: UnificationXref
id: C00003
db: KEGG Compound

Reference/KEGG Compound C00123
type: UnificationXref
id: C00123
db: KEGG Compound

3-Isopropylmalate
type: SmallMolecule
entity reference: 3-Isopropylmalate

3-Isopropylmalate
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0012156
xref: Reference/PubChem-compound 5462261
xref: Reference/ChEBI CHEBI 43468
xref: Reference/ChemSpider 4575349
xref: Reference/CAS 921-28-8
xref: Reference/BioCyc 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE
xref: Reference/KEGG Compound C04411
chemical formula: C7H12O5
molecular weight: 176.06847
structure: ChemicalStructure/PW C007713

ReactionCatalysis789860
type: Catalysis
controller: tyrosine aminotransferase
controlled: 2.6.1.42
control type: ACTIVATION

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

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

NAD
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 15846
xref: Reference/HMDB HMDB0000902
xref: Reference/CAS 53-84-9
xref: Reference/KEGG Compound C00003
xref: Reference/PubChem-compound 5893
xref: Reference/BioCyc NAD
xref: Reference/ChemSpider 5682
chemical formula: C21H27N7O14P2
molecular weight: 663.10913
structure: ChemicalStructure/PW C000721

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/KEGG Compound C00010
type: UnificationXref
id: C00010
db: KEGG Compound

Reference/HMDB HMDB0000902
type: UnificationXref
id: HMDB0000902
db: HMDB

2-Isopropyl-3-oxosuccinate
type: SmallMolecule
entity reference: 2-Isopropyl-3-oxosuccinate

Reference/SMPDB SMP0464721
type: UnificationXref
id: SMP0464721
db: SMPDB

Protein/28264/Stoichiometry/2.0
type: Stoichiometry
physical entity: Unknown
stoichiometric coefficient: 2.0

NADH
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0001487
xref: Reference/CAS 58-68-4
xref: Reference/PubChem-compound 439153
xref: Reference/BioCyc NADH
xref: Reference/ChemSpider 388299
xref: Reference/KEGG Compound C00004
xref: Reference/ChEBI CHEBI 16908
chemical formula: C21H29N7O14P2
molecular weight: 665.12476
structure: ChemicalStructure/PW C001144

Compound/PW C000547/Stoichiometry/1.0
type: Stoichiometry
physical entity: Ketoleucine
stoichiometric coefficient: 1.0

Reference/HMDB HMDB0001206
type: UnificationXref
id: HMDB0001206
db: HMDB

ChemicalStructure/PW C007786
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)C(=C\C(O)=O)\C(O)=O

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

Reference/ChemSpider 4444164
type: UnificationXref
id: 4444164
db: ChemSpider

Reference/CAS 53-84-9
type: UnificationXref
id: 53-84-9
db: CAS

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

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

Reference/KEGG Compound C00024
type: UnificationXref
id: C00024
db: KEGG Compound

Ketoleucine
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0000695
xref: Reference/ChEBI CHEBI 48430
xref: Reference/ChemSpider 69
xref: Reference/PubChem-compound 70
xref: Reference/BioCyc 2K-4CH3-PENTANOATE
xref: Reference/CAS 816-66-0
xref: Reference/KEGG Compound C00233
chemical formula: C6H10O3
molecular weight: 130.06299
structure: ChemicalStructure/PW C000547

Compound/PW C000721/Stoichiometry/1.0
type: Stoichiometry
physical entity: NAD
stoichiometric coefficient: 1.0

2-Isopropylmalic acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 5280523
xref: Reference/ChemSpider 4444155
xref: Reference/HMDB HMDB0000402
xref: Reference/KEGG Compound C02504
xref: Reference/CAS 49601-06-1
xref: Reference/ChEBI CHEBI 35128
chemical formula: C7H12O5
molecular weight: 176.06847
structure: ChemicalStructure/PW C000301

ChemicalStructure/PW C000721
type: ChemicalStructure
structure format: SMILES

Reference/ChemSpider 5682
type: UnificationXref
id: 5682
db: ChemSpider

Reference/PubChem-compound 5280523
type: UnificationXref
id: 5280523
db: PubChem-compound

ChemicalStructure/PW C001144
type: ChemicalStructure
structure format: SMILES

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

Reference/ChEBI CHEBI 1146900
type: UnificationXref
id: CHEBI:1146900
db: ChEBI

Water
type: SmallMolecule
entity reference: Water

Reference/ChemSpider 4575349
type: UnificationXref
id: 4575349
db: ChemSpider

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

Reference/ChemSpider 4575347
type: UnificationXref
id: 4575347
db: ChemSpider

Reference/BioCyc CO-A
type: UnificationXref
id: CO-A
db: BioCyc

Reference/CAS 72-89-9
type: UnificationXref
id: 72-89-9
db: CAS

Reference/HMDB HMDB0012241
type: UnificationXref
id: HMDB0012241
db: HMDB

Coenzyme A
type: SmallMolecule
entity reference: Coenzyme A

Coenzyme A
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 1146900
xref: Reference/HMDB HMDB0001423
xref: Reference/PubChem-compound 6816
xref: Reference/BioCyc CO-A
xref: Reference/ChemSpider 6557
xref: Reference/CAS 85-61-0
xref: Reference/KEGG Compound C00010
chemical formula: C21H36N7O16P3S
molecular weight: 767.11523
structure: ChemicalStructure/PW C001099

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

Reference/ChemSpider 6557
type: UnificationXref
id: 6557
db: ChemSpider

ChemicalStructure/PW C000940
type: ChemicalStructure
structure format: SMILES

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

Reference/BioCyc CPD-9451
type: UnificationXref
id: CPD-9451
db: BioCyc

Reference/ChemSpider 388299
type: UnificationXref
id: 388299
db: ChemSpider

Reference/KEGG Compound C04411
type: UnificationXref
id: C04411
db: KEGG Compound

Reference/HMDB HMDB0001487
type: UnificationXref
id: HMDB0001487
db: HMDB

Reaction2880
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001316/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000547/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034/Stoichiometry/1.0
participant stoichiometry: Compound/PW C007706/Stoichiometry/1.0
right: Carbon dioxide
right: Ketoleucine
spontaneous: true
left: Hydrogen Ion
left: 2-Isopropyl-3-oxosuccinate
name: 2-Isopropyl-3-oxosuccinate + Hydrogen Ion → Carbon dioxide + Ketoleucine
conversion direction: LEFT_TO_RIGHT

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

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

Unknown
type: ProteinReference

Reference/ChEBI CHEBI 1467
type: UnificationXref
id: CHEBI:1467
db: ChEBI

Compound/PW C007713/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-Isopropylmalate
stoichiometric coefficient: 1.0

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

Reference/HMDB HMDB0012149
type: UnificationXref
id: HMDB0012149
db: HMDB

Compound/PW C001099/Stoichiometry/1.0
type: Stoichiometry
physical entity: Coenzyme A
stoichiometric coefficient: 1.0

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

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

Compound/PW C001144/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADH
stoichiometric coefficient: 1.0

Reference/CAS 816-66-0
type: UnificationXref
id: 816-66-0
db: CAS

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

Ketoleucine
type: SmallMolecule
entity reference: Ketoleucine

Reference/SMPDB SMP0000838
type: UnificationXref
id: SMP0000838
db: SMPDB

Reference/PubChem-compound 5280533
type: UnificationXref
id: 5280533
db: PubChem-compound

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

L-Leucine
type: SmallMolecule
entity reference: L-Leucine

Reference/BioCyc 2K-4CH3-PENTANOATE
type: UnificationXref
id: 2K-4CH3-PENTANOATE
db: BioCyc

L-Leucine
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0000687
xref: Reference/ChEBI CHEBI 15603
xref: Reference/CAS 61-90-5
xref: Reference/BioCyc LEU
xref: Reference/PubChem-compound 6106
xref: Reference/KEGG Compound C00123
xref: Reference/ChemSpider 5880
chemical formula: C6H13NO2
molecular weight: 131.09464
structure: ChemicalStructure/PW C000540

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

Reference/HMDB HMDB0012156
type: UnificationXref
id: HMDB0012156
db: HMDB

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

Reference/ChemSpider 392413
type: UnificationXref
id: 392413
db: ChemSpider

Reference/CAS 61-90-5
type: UnificationXref
id: 61-90-5
db: CAS

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

Reference/BioCyc 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE
type: UnificationXref
id: 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE
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

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

Reference/PubChem-compound 5893
type: UnificationXref
id: 5893
db: PubChem-compound

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

Isopropylmaleate
type: SmallMoleculeReference
xref: Reference/PubChem-compound 5280533
xref: Reference/ChemSpider 4444164
xref: Reference/KEGG Compound C02631
xref: Reference/BioCyc CPD-9451
xref: Reference/HMDB HMDB0012241
xref: Reference/ChEBI CHEBI 17275
chemical formula: C7H10O4
molecular weight: 158.0579
structure: ChemicalStructure/PW C007786

Reference/PathWhiz PW000818
type: UnificationXref
id: PW000818
db: PathWhiz

Oxoglutaric acid
type: SmallMolecule
entity reference: Oxoglutaric acid

Compound/PW C007786/Stoichiometry/1.0
type: Stoichiometry
physical entity: Isopropylmaleate
stoichiometric coefficient: 1.0

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

2.6.1.42
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000095/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000547/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000540/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000134/Stoichiometry/1.0
right: Oxoglutaric acid
right: L-Leucine
spontaneous: false
EC number: 2.6.1.42
left: L-Glutamic acid
left: Ketoleucine
name: Ketoleucine + L-Glutamic acid → L-Leucine + Oxoglutaric acid
conversion direction: LEFT_TO_RIGHT

2.3.3.13
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001420/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000373/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001099/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000940/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000301/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034/Stoichiometry/1.0
right: Coenzyme A
right: Hydrogen Ion
right: 2-Isopropylmalic acid
spontaneous: false
EC number: 2.3.3.13
left: Water
left: 3-Methyl-2-oxovaleric acid
left: Acetyl-CoA
name: 3-Methyl-2-oxovaleric acid + Acetyl-CoA + Water → 2-Isopropylmalic acid + Coenzyme A + Hydrogen Ion
conversion direction: LEFT_TO_RIGHT

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

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

4.2.1.33
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001420/Stoichiometry/1.0
participant stoichiometry: Compound/PW C007786/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000301/Stoichiometry/1.0
right: Water
right: Isopropylmaleate
spontaneous: false
EC number: 4.2.1.33
left: 2-Isopropylmalic acid
name: 2-Isopropylmalic acid → Isopropylmaleate + Water
conversion direction: LEFT_TO_RIGHT

Reaction786437
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001420/Stoichiometry/1.0
participant stoichiometry: Compound/PW C007786/Stoichiometry/1.0
participant stoichiometry: Compound/PW C007713/Stoichiometry/1.0
right: 3-Isopropylmalate
spontaneous: false
left: Water
left: Isopropylmaleate
name: Isopropylmaleate + Water → 3-Isopropylmalate
conversion direction: LEFT_TO_RIGHT

1.1.1.85
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000721/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144/Stoichiometry/1.0
participant stoichiometry: Compound/PW C007713/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034/Stoichiometry/1.0
participant stoichiometry: Compound/PW C007706/Stoichiometry/1.0
right: NADH
right: Hydrogen Ion
right: 2-Isopropyl-3-oxosuccinate
spontaneous: false
EC number: 1.1.1.85
left: 3-Isopropylmalate
left: NAD
name: 3-Isopropylmalate + NAD → 2-Isopropyl-3-oxosuccinate + Hydrogen Ion + NADH
conversion direction: LEFT_TO_RIGHT

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

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

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

Reference/BioCyc CPD-7100
type: UnificationXref
id: CPD-7100
db: BioCyc

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

ChemicalStructure/PW C000301
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)[C@@](O)(CC(O)=O)C(O)=O

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

ChemicalStructure/PW C000540
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)C[C@H](N)C(O)=O

Reference/CAS 921-28-8
type: UnificationXref
id: 921-28-8
db: CAS

Reference/PubChem-compound 444493
type: UnificationXref
id: 444493
db: PubChem-compound

Protein/28264/Stoichiometry/6.0
type: Stoichiometry
physical entity: Unknown
stoichiometric coefficient: 6.0

Reference/BioCyc ACETYL-COA
type: UnificationXref
id: ACETYL-COA
db: BioCyc

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

Isopropylmaleate
type: SmallMolecule
entity reference: Isopropylmaleate

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

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

Compound/PW C007706/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-Isopropyl-3-oxosuccinate
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 43468
type: UnificationXref
id: CHEBI:43468
db: ChEBI

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

Carbon dioxide
type: SmallMolecule
entity reference: Carbon dioxide

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

Reference/ChEBI CHEBI 15351
type: UnificationXref
id: CHEBI:15351
db: ChEBI

ChemicalStructure/PW C007706
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)[C@H](C(O)=O)C(=O)C(O)=O

ChemicalStructure/PW C007713
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)[C@@H]([C@@H](O)C(O)=O)C(O)=O

Reference/HMDB HMDB0000402
type: UnificationXref
id: HMDB0000402
db: HMDB

Reference/CAS 85-61-0
type: UnificationXref
id: 85-61-0
db: CAS