S-(2-Methylbutanoyl)-dihydrolipoamide
type: SmallMolecule
cellular location: Cytoplasm
entity reference: S-(2-Methylbutanoyl)-dihydrolipoamide

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 17460
type: UnificationXref
id: CHEBI:17460
db: ChEBI

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

Reference/ChEBI CHEBI 16134
type: UnificationXref
id: CHEBI:16134
db: ChEBI

Reference/PubChem-compound 1132
type: UnificationXref
id: 1132
db: PubChem-compound

Compound/PW C000035 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Ammonia
stoichiometric coefficient: 1.0

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

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

Ammonia
type: SmallMoleculeReference
xref: Reference/BioCyc AMMONIA
xref: Reference/CAS 7664-41-7
xref: Reference/HMDB HMDB0000051
xref: Reference/PubChem-compound 222
xref: Reference/KEGG Compound C00014
xref: Reference/ChEBI CHEBI 16134
xref: Reference/ChemSpider 217
chemical formula: H3N
molecular weight: 17.026548
structure: ChemicalStructure/PW C000035

Reference/ChEBI CHEBI 3940
type: UnificationXref
id: CHEBI:3940
db: ChEBI

Reference/ChemSpider 52
type: UnificationXref
id: 52
db: ChemSpider

ReactionCatalysis340087
type: Catalysis
controller: Fatty acid oxidation complex alpha-subunit
controlled: Reaction350689
control type: ACTIVATION

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

Reaction350926
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000982 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001316 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000988 Cytoplasm/Stoichiometry/1.0
right: Methylmalonyl-CoA
spontaneous: false
left: Carbon dioxide
left: Propionyl-CoA
name: Carbon dioxide + Propionyl-CoA ↔ Methylmalonyl-CoA
conversion direction: REVERSIBLE

Reference/KEGG Compound C00683
type: UnificationXref
id: C00683
db: KEGG Compound

Compound/PW C247591 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: (3S)-3-Methyl-2-oxopentanoate
stoichiometric coefficient: 1.0

Reference/CAS 52227-66-4
type: UnificationXref
id: 52227-66-4
db: CAS

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

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

Water
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Water

Tiglyl-CoA
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 15478
xref: Reference/ChemSpider 4444187
xref: Reference/PubChem-compound 5280564
xref: Reference/BioCyc TIGLYL-COA
xref: Reference/HMDB HMDB0002054
xref: Reference/KEGG Compound C03345
chemical formula: C26H42N7O17P3S
molecular weight: 849.15704
structure: ChemicalStructure/PW C001378

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

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

ReactionCatalysis340093
type: Catalysis
controller: 3-ketoacyl-CoA thiolase/acetyl-CoA acetyltransferase
controlled: Reaction350695
control type: ACTIVATION

Reference/PubChem-compound 53
type: UnificationXref
id: 53
db: PubChem-compound

Streptomyces avermitilis
type: BioSource
xref: Reference/TAXONOMY 33903

Reference/KEGG Compound C00579
type: UnificationXref
id: C00579
db: KEGG Compound

Reference/BioCyc 2-METHYL-ACETO-ACETYL-COA
type: UnificationXref
id: 2-METHYL-ACETO-ACETYL-COA
db: BioCyc

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

Compound/PW C002980 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: S-(2-Methylbutanoyl)-dihydrolipoamide
stoichiometric coefficient: 1.0

Reference/PubChem-compound 3330
type: UnificationXref
id: 3330
db: PubChem-compound

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

Carbon dioxide
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Carbon dioxide

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

Reference/CAS 154-87-0
type: UnificationXref
id: 154-87-0
db: CAS

(S)-2-Methylbutanoyl-CoA
type: SmallMoleculeReference
xref: Reference/PubChem-compound 47205293
xref: Reference/ChEBI CHEBI 90222
xref: Reference/KEGG Compound C15980
chemical formula: C26H44N7O17P3S
molecular weight: 851.1727
structure: ChemicalStructure/PW C247592

(3S)-3-Methyl-2-oxopentanoate
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 3940
xref: Reference/KEGG Compound C00671
chemical formula: C6H10O3
molecular weight: 130.06299
structure: ChemicalStructure/PW C247591

ReactionCatalysis340060
type: Catalysis
controller: Dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase complex
controlled: Reaction350662
control type: ACTIVATION

Reference/CAS 104809-02-1
type: UnificationXref
id: 104809-02-1
db: CAS

ReactionCatalysis340067
type: Catalysis
controller: Acyl-CoA dehydrogenase
controlled: Reaction350669
control type: ACTIVATION

Reference/HMDB HMDB0002054
type: UnificationXref
id: HMDB0002054
db: HMDB

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

Lipoamide
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Lipoamide

Reference/KEGG Compound C05118
type: UnificationXref
id: C05118
db: KEGG Compound

Reference/KEGG Compound C00100
type: UnificationXref
id: C00100
db: KEGG Compound

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

ChemicalStructure/PW C002977
type: ChemicalStructure
structure format: SMILES

Reference/PubChem-compound 439291
type: UnificationXref
id: 439291
db: PubChem-compound

Reference/ChEBI CHEBI 17694
type: UnificationXref
id: CHEBI:17694
db: ChEBI

ChemicalStructure/PW C001099
type: ChemicalStructure
structure format: SMILES

Dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase complex
type: Protein
cellular location: Cytoplasm
entity reference: Dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase complex

Reference/PubChem-compound 439164
type: UnificationXref
id: 439164
db: PubChem-compound

ChemicalStructure/PW C002980
type: ChemicalStructure
structure format: SMILES
structure data: CCC(C)C(=O)SCCC(S)CCCCC(N)=O

Reference/PathWhiz PW273333
type: UnificationXref
id: PW273333
db: PathWhiz

Acyl-CoA carboxylase, beta subunit
type: Protein
cellular location: Cytoplasm
entity reference: Acyl-CoA carboxylase, beta subunit

Reference/ChEBI CHEBI 28692
type: UnificationXref
id: CHEBI:28692
db: ChEBI

ReactionCatalysis340076
type: Catalysis
controller: Fatty acid oxidation complex alpha-subunit
controlled: Reaction350678
control type: ACTIVATION

Acetyl-CoA
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Acetyl-CoA

Propionyl-CoA
type: SmallMoleculeReference
xref: Reference/CAS 317-66-8
xref: Reference/PubChem-compound 439164
xref: Reference/KEGG Compound C00100
xref: Reference/ChEBI CHEBI 15539
xref: Reference/BioCyc PROPIONYL-COA
xref: Reference/ChemSpider 388310
xref: Reference/HMDB HMDB0001275
chemical formula: C24H40N7O17P3S
molecular weight: 823.1414
structure: ChemicalStructure/PW C000988

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

Compound/PW C000988 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Propionyl-CoA
stoichiometric coefficient: 1.0

Reference/ChemSpider 388310
type: UnificationXref
id: 388310
db: ChemSpider

Reference/ChemSpider 217
type: UnificationXref
id: 217
db: ChemSpider

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

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

ReactionCatalysis340324
type: Catalysis
controller: Acyl-CoA carboxylase, beta subunit
controlled: Reaction350926
control type: ACTIVATION

Reduced acceptor
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 17499
xref: Reference/KEGG Compound C00030
xref: Reference/PubChem-compound 3332

Acceptor
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00028
xref: Reference/ChEBI CHEBI 15339
xref: Reference/PubChem-compound 3330

Reference/PubChem-compound 5280564
type: UnificationXref
id: 5280564
db: PubChem-compound

2-Methyl-3-hydroxybutyryl-CoA
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0001356
xref: Reference/ChEBI CHEBI 15449
xref: Reference/KEGG Compound C04405
xref: Reference/ChemSpider 389295
xref: Reference/PubChem-compound 440326
xref: Reference/CAS 52227-66-4
xref: Reference/BioCyc 2-METHYL-3-HYDROXY-BUTYRYL-COA
chemical formula: C26H44N7O18P3S
molecular weight: 867.16766
structure: ChemicalStructure/PW C001047

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

(3S)-3-Methyl-2-oxopentanoate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: (3S)-3-Methyl-2-oxopentanoate

Reference/UniProt Q82I27
type: UnificationXref
id: Q82I27
db: UniProt

(S)-2-Methylbutanoyl-CoA
type: SmallMolecule
cellular location: Cytoplasm
entity reference: (S)-2-Methylbutanoyl-CoA

Reference/ChemSpider 4444187
type: UnificationXref
id: 4444187
db: ChemSpider

Reference/KEGG Compound C00248
type: UnificationXref
id: C00248
db: KEGG Compound

Reference/KEGG Compound C15980
type: UnificationXref
id: C15980
db: KEGG Compound

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

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

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

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

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

Reference/CAS 7664-41-7
type: UnificationXref
id: 7664-41-7
db: CAS

Reference/SMPDB SMP0271538
type: UnificationXref
id: SMP0271538
db: SMPDB

Compound/PW C247573 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Acceptor
stoichiometric coefficient: 1.0

Reference/KEGG Compound C15976
type: UnificationXref
id: C15976
db: KEGG Compound

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

Compound/PW C247574 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Reduced acceptor
stoichiometric coefficient: 1.0

Reference/PubChem-compound 222
type: UnificationXref
id: 222
db: PubChem-compound

Reference/KEGG Compound C00014
type: UnificationXref
id: C00014
db: KEGG Compound

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

3-methyl-2-oxobutanoate dehydrogenase (Lipoamide) E1-alpha chain
type: Protein
cellular location: Cytoplasm
entity reference: 3-methyl-2-oxobutanoate dehydrogenase (Lipoamide) E1-alpha chain

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

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

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

Reference/UniProt Q82KX9
type: UnificationXref
id: Q82KX9
db: UniProt

Reference/ChemSpider 388424
type: UnificationXref
id: 388424
db: ChemSpider

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/ChEBI CHEBI 17499
type: UnificationXref
id: CHEBI:17499
db: ChEBI

Reference/KEGG Compound C00028
type: UnificationXref
id: C00028
db: KEGG Compound

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

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

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

Reference/CAS 317-66-8
type: UnificationXref
id: 317-66-8
db: CAS

Reference/KEGG Compound C00030
type: UnificationXref
id: C00030
db: KEGG Compound

Reference/GENE ONTOLOGY GO 0005737
type: UnificationXref
id: GO:0005737
db: GENE ONTOLOGY

Thiamine pyrophosphate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Thiamine pyrophosphate

Compound/PW C002977 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-Methyl-1-hydroxypropyl-ThPP
stoichiometric coefficient: 1.0

Reference/CAS 940-69-2
type: UnificationXref
id: 940-69-2
db: CAS

Reference/ChemSpider 26333171
type: UnificationXref
id: 26333171
db: ChemSpider

Methylmalonyl-CoA
type: SmallMoleculeReference
xref: Reference/ChemSpider 388424
xref: Reference/HMDB HMDB0001269
xref: Reference/ChEBI CHEBI 15466
xref: Reference/BioCyc METHYL-MALONYL-COA
xref: Reference/KEGG Compound C00683
xref: Reference/CAS 104809-02-1
xref: Reference/PubChem-compound 439291
chemical formula: C25H40N7O19P3S
molecular weight: 867.1312
structure: ChemicalStructure/PW C000982

Coenzyme A
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Coenzyme A

Reference/ChEBI CHEBI 48522
type: UnificationXref
id: CHEBI:48522
db: ChEBI

Reference/ChEBI CHEBI 90222
type: UnificationXref
id: CHEBI:90222
db: ChEBI

Reference/ChEBI CHEBI 15449
type: UnificationXref
id: CHEBI:15449
db: ChEBI

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

NADH
type: SmallMolecule
cellular location: Cytoplasm
entity reference: NADH

ChemicalStructure/PW C000721
type: ChemicalStructure
structure format: SMILES

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

Reference/BioCyc 2-METHYL-3-HYDROXY-BUTYRYL-COA
type: UnificationXref
id: 2-METHYL-3-HYDROXY-BUTYRYL-COA
db: BioCyc

ChemicalStructure/PW C001144
type: ChemicalStructure
structure format: SMILES

Reference/PubChem-compound 23724626
type: UnificationXref
id: 23724626
db: PubChem-compound

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

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

3-ketoacyl-CoA thiolase/acetyl-CoA acetyltransferase
type: ProteinReference
xref: Reference/UniProt Q82KX9
organism: BiologicalState1762

Acyl-CoA carboxylase, beta subunit
type: ProteinReference
xref: Reference/UniProt Q82I27
organism: BiologicalState1762

Compound/PW C000769 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Lipoamide
stoichiometric coefficient: 1.0

Fatty acid oxidation complex alpha-subunit
type: ProteinReference
xref: Reference/UniProt Q82MI0
organism: BiologicalState1762

Reference/BioCyc 2-(alpha-lactyl)-thpp
type: UnificationXref
id: 2-(alpha-lactyl)-thpp
db: BioCyc

2.6.1.42
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000112 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000035 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000721 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247591 Cytoplasm/Stoichiometry/1.0
right: Hydrogen Ion
right: Ammonia
right: NADH
right: (3S)-3-Methyl-2-oxopentanoate
spontaneous: false
EC number: 2.6.1.42
left: Water
left: L-Isoleucine
left: NAD
name: L-Isoleucine + NAD + Water ↔ (3S)-3-Methyl-2-oxopentanoate + Ammonia + Hydrogen Ion + NADH
conversion direction: REVERSIBLE

Reaction350646
type: BiochemicalReaction
participant stoichiometry: Compound/PW C002977 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001316 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247591 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001060 Cytoplasm/Stoichiometry/1.0
right: Carbon dioxide
right: 2-Methyl-1-hydroxypropyl-ThPP
spontaneous: false
left: Thiamine pyrophosphate
left: (3S)-3-Methyl-2-oxopentanoate
name: (3S)-3-Methyl-2-oxopentanoate + Thiamine pyrophosphate ↔ 2-Methyl-1-hydroxypropyl-ThPP + Carbon dioxide
conversion direction: REVERSIBLE

2.6.1.42
type: BiochemicalReaction
participant stoichiometry: Compound/PW C002977 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000769 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C002980 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001060 Cytoplasm/Stoichiometry/1.0
right: S-(2-Methylbutanoyl)-dihydrolipoamide
right: Thiamine pyrophosphate
spontaneous: false
EC number: 2.6.1.42
left: Lipoamide
left: 2-Methyl-1-hydroxypropyl-ThPP
name: 2-Methyl-1-hydroxypropyl-ThPP + Lipoamide ↔ S-(2-Methylbutanoyl)-dihydrolipoamide + Thiamine pyrophosphate
conversion direction: REVERSIBLE

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

Reference/ChEBI CHEBI 15339
type: UnificationXref
id: CHEBI:15339
db: ChEBI

Compound/PW C000897 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-Methylacetoacetyl-CoA
stoichiometric coefficient: 1.0

Reference/KEGG Compound C04405
type: UnificationXref
id: C04405
db: KEGG Compound

Reference/ChemSpider 389295
type: UnificationXref
id: 389295
db: ChemSpider

2-Methyl-1-hydroxypropyl-ThPP
type: SmallMoleculeReference
xref: Reference/PubChem-compound 23724626
xref: Reference/HMDB HMDB0006866
xref: Reference/ChemSpider 26333171
xref: Reference/KEGG Compound C15976
xref: Reference/ChEBI CHEBI 48522
chemical formula: C16H27N4O8P2S
molecular weight: 497.10248
structure: ChemicalStructure/PW C002977

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

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

Acceptor
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Acceptor

Reference/PubChem-compound 47205293
type: UnificationXref
id: 47205293
db: PubChem-compound

Reference/ChemSpider 643
type: UnificationXref
id: 643
db: ChemSpider

S-(2-Methylbutanoyl)-dihydrolipoamide
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0006869
xref: Reference/PubChem-compound 440565
xref: Reference/KEGG Compound C05118
xref: Reference/ChEBI CHEBI 28692
xref: Reference/ChemSpider 389465
chemical formula: C13H25NO2S2
molecular weight: 291.13266
structure: ChemicalStructure/PW C002980

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 HMDB0001356
type: UnificationXref
id: HMDB0001356
db: HMDB

Reference/TAXONOMY 33903
type: UnificationXref
id: 33903
db: TAXONOMY

Reference/ChEBI CHEBI 9532
type: UnificationXref
id: CHEBI:9532
db: ChEBI

ChemicalStructure/PW C000982
type: ChemicalStructure
structure format: SMILES

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

Cytoplasm
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0005737

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

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

Compound/PW C001378 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Tiglyl-CoA
stoichiometric coefficient: 1.0

Lipoamide
type: SmallMoleculeReference
xref: Reference/PubChem-compound 863
xref: Reference/ChemSpider 840
xref: Reference/KEGG Compound C00248
xref: Reference/HMDB HMDB0000962
xref: Reference/BioCyc LIPOAMIDE
xref: Reference/CAS 940-69-2
xref: Reference/ChEBI CHEBI 17460
chemical formula: C8H15NOS2
molecular weight: 205.05951
structure: ChemicalStructure/PW C000769

Reference/PubChem-compound 663
type: UnificationXref
id: 663
db: PubChem-compound

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

Fatty acid oxidation complex alpha-subunit
type: Protein
cellular location: Cytoplasm
entity reference: Fatty acid oxidation complex alpha-subunit

ChemicalStructure/PW C000940
type: ChemicalStructure
structure format: SMILES

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

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

Reference/PubChem-compound 440326
type: UnificationXref
id: 440326
db: PubChem-compound

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

Reference/PubChem-compound 440565
type: UnificationXref
id: 440565
db: PubChem-compound

Hydrogen Ion
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Hydrogen Ion

Reference/CAS 6712-01-2
type: UnificationXref
id: 6712-01-2
db: CAS

2-Methylacetoacetyl-CoA
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 2-Methylacetoacetyl-CoA

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

ChemicalStructure/PW C000035
type: ChemicalStructure
structure format: SMILES
structure data: N

Reference/UniProt Q82MI0
type: UnificationXref
id: Q82MI0
db: UniProt

Reference/ChEBI CHEBI 15539
type: UnificationXref
id: CHEBI:15539
db: ChEBI

Thiamine pyrophosphate
type: SmallMoleculeReference
xref: Reference/BioCyc 2-(alpha-lactyl)-thpp
xref: Reference/ChEBI CHEBI 9532
xref: Reference/CAS 154-87-0
xref: Reference/ChemSpider 1100
xref: Reference/HMDB HMDB0001372
xref: Reference/PubChem-compound 1132
xref: Reference/KEGG Compound C00068
chemical formula: C12H19N4O7P2S
molecular weight: 425.04498
structure: ChemicalStructure/PW C001060

2-Methylacetoacetyl-CoA
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0001157
xref: Reference/ChEBI CHEBI 15476
xref: Reference/CAS 6712-01-2
xref: Reference/BioCyc 2-METHYL-ACETO-ACETYL-COA
xref: Reference/PubChem-compound 53
xref: Reference/ChemSpider 52
xref: Reference/KEGG Compound C03344
chemical formula: C26H42N7O18P3S
molecular weight: 865.152
structure: ChemicalStructure/PW C000897

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

Reference/UniProt Q82F96
type: UnificationXref
id: Q82F96
db: UniProt

Compound/PW C001047 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-Methyl-3-hydroxybutyryl-CoA
stoichiometric coefficient: 1.0

Reference/KEGG Compound C00068
type: UnificationXref
id: C00068
db: KEGG Compound

Compound/PW C001060 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Thiamine pyrophosphate
stoichiometric coefficient: 1.0

Reference/HMDB HMDB0000962
type: UnificationXref
id: HMDB0000962
db: HMDB

ChemicalStructure/PW C001378
type: ChemicalStructure
structure format: SMILES

Branched-chain-amino-acid aminotransferase
type: Protein
cellular location: Cytoplasm
entity reference: Branched-chain-amino-acid aminotransferase

Ammonia
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Ammonia

Dihydrolipoamide
type: SmallMoleculeReference
xref: Reference/ChemSpider 643
xref: Reference/CAS 3884-47-7
xref: Reference/KEGG Compound C00579
xref: Reference/PubChem-compound 663
xref: Reference/HMDB HMDB0000985
xref: Reference/BioCyc DIHYDROLIPOAMIDE
xref: Reference/ChEBI CHEBI 17694
chemical formula: C8H17NOS2
molecular weight: 207.07515
structure: ChemicalStructure/PW C000782

Reference/HMDB HMDB0001372
type: UnificationXref
id: HMDB0001372
db: HMDB

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

ChemicalStructure/PW C247591
type: ChemicalStructure
structure format: SMILES
structure data: CC[C@H](C)C(=O)C(O)=O

ChemicalStructure/PW C247592
type: ChemicalStructure
structure format: SMILES

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

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

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

ChemicalStructure/PW C000769
type: ChemicalStructure
structure format: SMILES
structure data: NC(=O)CCCCC1CCSS1

Reference/KEGG Compound C03344
type: UnificationXref
id: C03344
db: KEGG Compound

Reference/KEGG Compound C03345
type: UnificationXref
id: C03345
db: KEGG Compound

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

Reference/HMDB HMDB0001269
type: UnificationXref
id: HMDB0001269
db: HMDB

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 HMDB0000051
type: UnificationXref
id: HMDB0000051
db: HMDB

ReactionCatalysis340043
type: Catalysis
controller: Branched-chain-amino-acid aminotransferase
controlled: 2.6.1.42
control type: ACTIVATION

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

ReactionCatalysis340045
type: Catalysis
controller: 3-methyl-2-oxobutanoate dehydrogenase (Lipoamide) E1-alpha chain
controlled: 2.6.1.42
control type: ACTIVATION

2-Methyl-3-hydroxybutyryl-CoA
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 2-Methyl-3-hydroxybutyryl-CoA

ReactionCatalysis340044
type: Catalysis
controller: 3-methyl-2-oxobutanoate dehydrogenase (Lipoamide) E1-alpha chain
controlled: Reaction350646
control type: ACTIVATION

ChemicalStructure/PW C001060
type: ChemicalStructure
structure format: SMILES
structure data: CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N

Reaction350695
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001099 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000897 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000988 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000940 Cytoplasm/Stoichiometry/1.0
right: Propionyl-CoA
right: Acetyl-CoA
spontaneous: false
left: 2-Methylacetoacetyl-CoA
left: Coenzyme A
name: 2-Methylacetoacetyl-CoA + Coenzyme A ↔ Acetyl-CoA + Propionyl-CoA
conversion direction: REVERSIBLE

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

Compound/PW C000782 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dihydrolipoamide
stoichiometric coefficient: 1.0

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

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

Reaction350689
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040034 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000721 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000897 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001047 Cytoplasm/Stoichiometry/1.0
right: 2-Methylacetoacetyl-CoA
right: Hydrogen Ion
right: NADH
spontaneous: false
left: NAD
left: 2-Methyl-3-hydroxybutyryl-CoA
name: 2-Methyl-3-hydroxybutyryl-CoA + NAD ↔ 2-Methylacetoacetyl-CoA + Hydrogen Ion + NADH
conversion direction: REVERSIBLE

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

ChemicalStructure/PW C000897
type: ChemicalStructure
structure format: SMILES

2-Methyl-1-hydroxypropyl-ThPP
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 2-Methyl-1-hydroxypropyl-ThPP

Reference/HMDB HMDB0001157
type: UnificationXref
id: HMDB0001157
db: HMDB

Reference/ChemSpider 840
type: UnificationXref
id: 840
db: ChemSpider

Reference/HMDB HMDB0000985
type: UnificationXref
id: HMDB0000985
db: HMDB

Reference/BioCyc METHYL-MALONYL-COA
type: UnificationXref
id: METHYL-MALONYL-COA
db: BioCyc

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

ChemicalStructure/PW C000782
type: ChemicalStructure
structure format: SMILES
structure data: OC(=N)CCCCC(S)CCS

BiologicalState1762
type: BioSource
xref: Reference/TAXONOMY 12804
name: Puma lentivirus

Tiglyl-CoA
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Tiglyl-CoA

Reference/HMDB HMDB0001275
type: UnificationXref
id: HMDB0001275
db: HMDB

Reference/PubChem-compound 863
type: UnificationXref
id: 863
db: PubChem-compound

Reduced acceptor
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Reduced acceptor

Reference/ChEBI CHEBI 15466
type: UnificationXref
id: CHEBI:15466
db: ChEBI

Reaction350678
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001420 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001047 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001378 Cytoplasm/Stoichiometry/1.0
right: 2-Methyl-3-hydroxybutyryl-CoA
spontaneous: false
left: Water
left: Tiglyl-CoA
name: Tiglyl-CoA + Water ↔ 2-Methyl-3-hydroxybutyryl-CoA
conversion direction: REVERSIBLE

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

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

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

Reference/ChemSpider 1100
type: UnificationXref
id: 1100
db: ChemSpider

Reference/ChemSpider 389465
type: UnificationXref
id: 389465
db: ChemSpider

ChemicalStructure/PW C000988
type: ChemicalStructure
structure format: SMILES

Isoleucine Degradation
type: Pathway
pathway order: PathwayEnzymeReaction/4512134
pathway order: PathwayEnzymeReaction/4512255
pathway order: PathwayEnzymeReaction/4512396
pathway order: PathwayEnzymeReaction/4512111
pathway order: PathwayEnzymeReaction/4512301
pathway order: PathwayEnzymeReaction/4512565
pathway order: PathwayEnzymeReaction/4512511
pathway order: PathwayEnzymeReaction/4512092
pathway order: PathwayEnzymeReaction/4515066
pathway component: Reaction350926
pathway component: 2.6.1.42
pathway component: Reaction350678
pathway component: Reaction350689
pathway component: Reaction350646
pathway component: Reaction350669
pathway component: ReactionCatalysis340324
pathway component: ReactionCatalysis340060
pathway component: ReactionCatalysis340093
pathway component: ReactionCatalysis340043
pathway component: ReactionCatalysis340076
pathway component: ReactionCatalysis340087
pathway component: ReactionCatalysis340045
pathway component: ReactionCatalysis340067
pathway component: ReactionCatalysis340044
pathway component: Reaction350662
pathway component: Reaction350695
xref: Reference/PathWhiz PW273333
xref: Reference/SMPDB SMP0271538
organism: Streptomyces avermitilis

Compound/PW C000982 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Methylmalonyl-CoA
stoichiometric coefficient: 1.0

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

Reference/UniProt Q79Z51
type: UnificationXref
id: Q79Z51
db: UniProt

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

ChemicalStructure/PW C001047
type: ChemicalStructure
structure format: SMILES

Acyl-CoA dehydrogenase
type: Protein
cellular location: Cytoplasm
entity reference: Acyl-CoA dehydrogenase

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

3-ketoacyl-CoA thiolase/acetyl-CoA acetyltransferase
type: Protein
cellular location: Cytoplasm
entity reference: 3-ketoacyl-CoA thiolase/acetyl-CoA acetyltransferase

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

Reference/ChEBI CHEBI 15476
type: UnificationXref
id: CHEBI:15476
db: ChEBI

Reference/ChEBI CHEBI 15478
type: UnificationXref
id: CHEBI:15478
db: ChEBI

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

Reaction350669
type: BiochemicalReaction
participant stoichiometry: Compound/PW C247573 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247574 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247592 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001378 Cytoplasm/Stoichiometry/1.0
right: Reduced acceptor
right: Tiglyl-CoA
spontaneous: false
left: (S)-2-Methylbutanoyl-CoA
left: Acceptor
name: (S)-2-Methylbutanoyl-CoA + Acceptor ↔ Reduced acceptor + Tiglyl-CoA
conversion direction: REVERSIBLE

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

Propionyl-CoA
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Propionyl-CoA

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

Reference/HMDB HMDB0006869
type: UnificationXref
id: HMDB0006869
db: HMDB

Reference/CAS 3884-47-7
type: UnificationXref
id: 3884-47-7
db: CAS

Methylmalonyl-CoA
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Methylmalonyl-CoA

Dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase complex
type: ProteinReference
xref: Reference/UniProt Q82F96
organism: BiologicalState1762

Reference/HMDB HMDB0006866
type: UnificationXref
id: HMDB0006866
db: HMDB

Acyl-CoA dehydrogenase
type: ProteinReference
xref: Reference/UniProt Q79Z42
organism: Streptomyces avermitilis

Reference/TAXONOMY 12804
type: UnificationXref
id: 12804
db: TAXONOMY

3-methyl-2-oxobutanoate dehydrogenase (Lipoamide) E1-alpha chain
type: ProteinReference
xref: Reference/UniProt Q79Z51
organism: BiologicalState1762

Reference/UniProt Q79Z42
type: UnificationXref
id: Q79Z42
db: UniProt

Reference/PubChem-compound 3332
type: UnificationXref
id: 3332
db: PubChem-compound

Branched-chain-amino-acid aminotransferase
type: ProteinReference
xref: Reference/UniProt Q82JN7
organism: BiologicalState1762

Reference/UniProt Q82JN7
type: UnificationXref
id: Q82JN7
db: UniProt

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

NAD
type: SmallMolecule
cellular location: Cytoplasm
entity reference: NAD

Dihydrolipoamide
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Dihydrolipoamide

Compound/PW C247592 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: (S)-2-Methylbutanoyl-CoA
stoichiometric coefficient: 1.0

Reference/KEGG Compound C00671
type: UnificationXref
id: C00671
db: KEGG Compound

Reaction350662
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001099 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000782 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C002980 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247592 Cytoplasm/Stoichiometry/1.0
right: (S)-2-Methylbutanoyl-CoA
right: Dihydrolipoamide
spontaneous: false
left: S-(2-Methylbutanoyl)-dihydrolipoamide
left: Coenzyme A
name: Coenzyme A + S-(2-Methylbutanoyl)-dihydrolipoamide ↔ (S)-2-Methylbutanoyl-CoA + Dihydrolipoamide
conversion direction: REVERSIBLE