Compound/PW C000174 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Succinic acid
stoichiometric coefficient: 1.0

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

Reference/PubChem-compound 439161
type: UnificationXref
id: 439161
db: PubChem-compound

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

Compound/PW C001420 Cytoplasm/Stoichiometry/2.0
type: Stoichiometry
physical entity: Water
stoichiometric coefficient: 2.0

Reference/PubChem-compound 3315
type: UnificationXref
id: 3315
db: PubChem-compound

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

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

Succinyl-CoA
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Succinyl-CoA
name: SubPathwayInput

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

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

Reference/CAS 689-31-6
type: UnificationXref
id: 689-31-6
db: CAS

Adenosine monophosphate
type: SmallMoleculeReference
xref: Reference/CAS 61-19-8
xref: Reference/ChemSpider 5858
xref: Reference/HMDB HMDB0000045
xref: Reference/BioCyc AMP
xref: Reference/ChEBI CHEBI 16027
xref: Reference/PubChem-compound 6083
xref: Reference/KEGG Compound C00020
chemical formula: C10H14N5O7P
molecular weight: 347.06308
structure: ChemicalStructure/PW C000032

Reference/ChEBI CHEBI 16027
type: UnificationXref
id: CHEBI:16027
db: ChEBI

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

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

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

Transport89640
type: Transport
participant stoichiometry: Compound/PW C247515 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247515 Extracellular Space/Stoichiometry/1.0
right: Benzoate
spontaneous: false
left: Benzoate
name: Benzoate (→) Transport: Bacteroides plebeius, Extracellular Space to Bacteroides plebeius, Cell, Cytoplasm
conversion direction: LEFT_TO_RIGHT

Compound/PW C001522 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Benzoyl-CoA
stoichiometric coefficient: 1.0

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

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

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

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

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

(3S)-3-Hydroxyadipyl-CoA
type: SmallMolecule
cellular location: Cytoplasm
entity reference: (3S)-3-Hydroxyadipyl-CoA

Reference/ChEBI CHEBI 15380
type: UnificationXref
id: CHEBI:15380
db: ChEBI

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

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

Succinyl-CoA
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00091
xref: Reference/CAS 604-98-8
xref: Reference/ChemSpider 388307
xref: Reference/PubChem-compound 439161
xref: Reference/ChEBI CHEBI 15380
xref: Reference/BioCyc 3-METHYLBENZYLSUCCINYL-COA
xref: Reference/HMDB HMDB0001022
chemical formula: C25H40N7O19P3S
molecular weight: 867.1312
structure: ChemicalStructure/PW C000808

Compound/PW C247520 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2,3-Epoxy-2,3-dihydrobenzoyl-CoA
stoichiometric coefficient: 1.0

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

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

Reference/ChemSpider 952
type: UnificationXref
id: 952
db: ChemSpider

Reference/ChemSpider 278
type: UnificationXref
id: 278
db: ChemSpider

ChemicalStructure/PW C001522
type: ChemicalStructure
structure format: SMILES

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

Reference/ChemSpider 5858
type: UnificationXref
id: 5858
db: ChemSpider

Adenosine monophosphate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Adenosine monophosphate

ChemicalStructure/PW C040813
type: ChemicalStructure
structure format: SMILES

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

Reference/ChEBI CHEBI 34453
type: UnificationXref
id: CHEBI:34453
db: ChEBI

TCA Cycle
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway587581
pathway component: SubPathwayInteraction587581
xref: Reference/PathWhiz PW270417
xref: Reference/SMPDB SMP0268623
name: SubPathway

ChemicalStructure/PW C001099
type: ChemicalStructure
structure format: SMILES

Reference/TAXONOMY 310297
type: UnificationXref
id: 310297
db: TAXONOMY

SubPathwayInteraction587581
type: Interaction
name: SubPathway587581Reaction
name: SubPathwayReaction
participant: Succinyl-CoA

ChemicalStructure/PW C007995
type: ChemicalStructure
structure format: SMILES

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

ChemicalStructure/PW C000808
type: ChemicalStructure
structure format: SMILES

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

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

Reference/BioCyc CPD-6641
type: UnificationXref
id: CPD-6641
db: BioCyc

ChemicalStructure/PW C247515
type: ChemicalStructure
structure format: SMILES
structure data: OC(=O)C1=CC=CC=C1

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

Compound/PW C000808 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Succinyl-CoA
stoichiometric coefficient: 1.0

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

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

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

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

Reference/ChemSpider 91
type: UnificationXref
id: 91
db: ChemSpider

Reference/KEGG Compound C00007
type: UnificationXref
id: C00007
db: KEGG Compound

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

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

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

diphosphate
type: SmallMoleculeReference
xref: Reference/PubChem-compound 3315
chemical formula: C34H28N6O14S4
molecular weight: 872.0546
structure: ChemicalStructure/PW C040813

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

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

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

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

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

ChemicalStructure/PW C000143
type: ChemicalStructure
structure format: SMILES

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

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

ChemicalStructure/PW C000146
type: ChemicalStructure
structure format: SMILES

Unknown
type: ProteinReference
organism: Bacteroides plebeius

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

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

Reference/ChEBI CHEBI 15741
type: UnificationXref
id: CHEBI:15741
db: ChEBI

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

Adenosine triphosphate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Adenosine triphosphate

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

5-Carboxy-2-pentenoyl-CoA
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 34453
chemical formula: C27H42N7O19P3S
molecular weight: 893.1469
structure: ChemicalStructure/PW C040825

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

3-Oxoadipyl-CoA
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 15490
chemical formula: C28H44N7O19P3S
molecular weight: 907.16254
structure: ChemicalStructure/PW C040826

Reference/PubChem-compound 1110
type: UnificationXref
id: 1110
db: PubChem-compound

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

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

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 C247515 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Benzoate
stoichiometric coefficient: 1.0

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

Reference/PathWhiz PW553930
type: UnificationXref
id: PW553930
db: PathWhiz

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

3-Oxoadipic acid
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0000398
xref: Reference/ChEBI CHEBI 37440
xref: Reference/ChemSpider 91
xref: Reference/KEGG Compound C00846
xref: Reference/PubChem-compound 93
xref: Reference/CAS 689-31-6
chemical formula: C6H8O5
molecular weight: 160.03717
structure: ChemicalStructure/PW C000297

Reference/CAS 6756-74-7
type: UnificationXref
id: 6756-74-7
db: CAS

Succinic acid
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0000254
xref: Reference/CAS 110-15-6
xref: Reference/ChEBI CHEBI 15741
xref: Reference/KEGG Compound C00042
xref: Reference/ChemSpider 1078
xref: Reference/PubChem-compound 1110
xref: Reference/BioCyc SUC
chemical formula: C4H6O4
molecular weight: 118.02661
structure: ChemicalStructure/PW C000174

Reference/PathWhiz PW270417
type: UnificationXref
id: PW270417
db: PathWhiz

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/KEGG Compound C19684
type: UnificationXref
id: C19684
db: KEGG Compound

Reference/ChemSpider 388307
type: UnificationXref
id: 388307
db: ChemSpider

Reference/ChEBI CHEBI 15515
type: UnificationXref
id: CHEBI:15515
db: ChEBI

Reference/KEGG Compound C19683
type: UnificationXref
id: C19683
db: KEGG Compound

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

Reference/KEGG Compound C00020
type: UnificationXref
id: C00020
db: KEGG Compound

Reaction348980
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040825 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247521 Cytoplasm/Stoichiometry/1.0
right: 5-Carboxy-2-pentenoyl-CoA
spontaneous: true
left: 3,4-Didehydroadipyl-CoA semialdehyde
name: 3,4-Didehydroadipyl-CoA semialdehyde → 5-Carboxy-2-pentenoyl-CoA
conversion direction: LEFT_TO_RIGHT

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

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

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

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

Reference/HMDB HMDB0012475
type: UnificationXref
id: HMDB0012475
db: HMDB

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

ChemicalStructure/PW C001144
type: ChemicalStructure
structure format: SMILES

2.3.1.174
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000174 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000297 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040826 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000808 Cytoplasm/Stoichiometry/1.0
right: Succinyl-CoA
right: 3-Oxoadipic acid
spontaneous: false
EC number: 2.3.1.174
left: Succinic acid
left: 3-Oxoadipyl-CoA
name: 3-Oxoadipyl-CoA + Succinic acid ↔ 3-Oxoadipic acid + Succinyl-CoA
conversion direction: REVERSIBLE

ChemicalStructure/PW C000297
type: ChemicalStructure
structure format: SMILES
structure data: OC(=O)CCC(=O)CC(O)=O

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

Reference/HMDB HMDB0000254
type: UnificationXref
id: HMDB0000254
db: HMDB

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

ChemicalStructure/PW C000174
type: ChemicalStructure
structure format: SMILES
structure data: OC(=O)CCC(O)=O

ReactionCatalysis1547220
type: Catalysis
controller: Unknown
controlled: Reaction1501376
control type: ACTIVATION

Compound/PW C247515 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Benzoate
stoichiometric coefficient: 1.0

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

Reference/KEGG Compound C00846
type: UnificationXref
id: C00846
db: KEGG Compound

Benzoyl-CoA
type: SmallMoleculeReference
xref: Reference/PubChem-compound 439248
xref: Reference/KEGG Compound C00512
xref: Reference/ChEBI CHEBI 15515
xref: Reference/ChemSpider 388384
xref: Reference/CAS 6756-74-7
xref: Reference/HMDB HMDB0002252
chemical formula: C28H40N7O17P3S
molecular weight: 871.1414
structure: ChemicalStructure/PW C001522

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

Reference/KEGG Compound C00042
type: UnificationXref
id: C00042
db: KEGG Compound

3-Oxoadipyl-CoA
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 3-Oxoadipyl-CoA

Reference/ChemSpider 1078
type: UnificationXref
id: 1078
db: ChemSpider

Benzoate
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00180
xref: Reference/PubChem-compound 3480
xref: Reference/ChEBI CHEBI 16150 30746
chemical formula: C7H6O2
molecular weight: 122.03678
structure: ChemicalStructure/PW C247515

(3S)-3-Hydroxyadipyl-CoA
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0012475
xref: Reference/PubChem-compound 53481427
xref: Reference/KEGG Compound C14145
chemical formula: C27H44N7O20P3S
molecular weight: 911.1575
structure: ChemicalStructure/PW C007995

Compound/PW C000297 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-Oxoadipic acid
stoichiometric coefficient: 1.0

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/CAS 604-98-8
type: UnificationXref
id: 604-98-8
db: CAS

ReactionCatalysis1547232
type: Catalysis
controller: Unknown
controlled: Reaction1501388
control type: ACTIVATION

3,4-Didehydroadipyl-CoA semialdehyde
type: SmallMoleculeReference
xref: Reference/KEGG Compound C19683
xref: Reference/PubChem-compound 135626151
chemical formula: C27H42N7O18P3S
molecular weight: 877.152

ReactionCatalysis1547234
type: Catalysis
controller: Unknown
controlled: Reaction1501390
control type: ACTIVATION

2,3-Epoxy-2,3-dihydrobenzoyl-CoA
type: SmallMoleculeReference
xref: Reference/KEGG Compound C19684
xref: Reference/PubChem-compound 135626152
chemical formula: C28H40N7O18P3S
molecular weight: 887.13635

ReactionCatalysis1547233
type: Catalysis
controller: Unknown
controlled: Reaction1501389
control type: ACTIVATION

Reference/PubChem-compound 18971002
type: UnificationXref
id: 18971002
db: PubChem-compound

ReactionCatalysis1547236
type: Catalysis
controller: Unknown
controlled: 2.3.1.174
control type: ACTIVATION

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

Reference/ChEBI CHEBI 16150 30746
type: UnificationXref
id: CHEBI:16150 30746
db: ChEBI

ReactionCatalysis1547235
type: Catalysis
controller: Unknown
controlled: Reaction1501391
control type: ACTIVATION

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

3-Oxoadipic acid
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 3-Oxoadipic acid

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

Reference/HMDB HMDB0000142
type: UnificationXref
id: HMDB0000142
db: HMDB

Reference/PubChem-compound 53481427
type: UnificationXref
id: 53481427
db: PubChem-compound

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

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

Reference/PubChem-compound 135626152
type: UnificationXref
id: 135626152
db: PubChem-compound

Unknown
type: Protein
cellular location: Cytoplasm
entity reference: Unknown

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

Reference/PubChem-compound 135626151
type: UnificationXref
id: 135626151
db: PubChem-compound

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

Reference/KEGG Compound C00058
type: UnificationXref
id: C00058
db: KEGG Compound

3,4-Didehydroadipyl-CoA semialdehyde
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 3,4-Didehydroadipyl-CoA semialdehyde

Reference/KEGG Compound C00180
type: UnificationXref
id: C00180
db: KEGG Compound

Reference/CAS 61-19-8
type: UnificationXref
id: 61-19-8
db: CAS

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

Reference/HMDB HMDB0000398
type: UnificationXref
id: HMDB0000398
db: HMDB

ChemicalStructure/PW C000032
type: ChemicalStructure
structure format: SMILES

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

Oxygen
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0001377
xref: Reference/ChemSpider 952
xref: Reference/KEGG Compound C00007
xref: Reference/ChEBI CHEBI 15379
xref: Reference/PubChem-compound 977
xref: Reference/BioCyc CPD-6641
xref: Reference/CAS 7782-44-7
chemical formula: O2
molecular weight: 31.98983
structure: ChemicalStructure/PW C001065

Formic acid
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 30751
xref: Reference/ChemSpider 278
xref: Reference/PubChem-compound 18971002
xref: Reference/BioCyc FORMATE
xref: Reference/CAS 64-18-6
xref: Reference/KEGG Compound C00058
xref: Reference/HMDB HMDB0000142
chemical formula: CH2O2
molecular weight: 46.005478
structure: ChemicalStructure/PW C000092

Bacteroides plebeius
type: BioSource
xref: Reference/TAXONOMY 310297

Reaction1501376
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001099 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040813 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001522 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247515 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000414 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000032 Cytoplasm/Stoichiometry/1.0
right: Adenosine monophosphate
right: Benzoyl-CoA
right: diphosphate
spontaneous: false
left: Benzoate
left: Adenosine triphosphate
left: Coenzyme A
name: Adenosine triphosphate + Benzoate + Coenzyme A ↔ Adenosine monophosphate + Benzoyl-CoA + diphosphate
conversion direction: REVERSIBLE

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

Reference/ChEBI CHEBI 37440
type: UnificationXref
id: CHEBI:37440
db: ChEBI

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

Reaction1501390
type: BiochemicalReaction
participant stoichiometry: Compound/PW C007995 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040825 Cytoplasm/Stoichiometry/1.0
right: (3S)-3-Hydroxyadipyl-CoA
spontaneous: false
left: Water
left: 5-Carboxy-2-pentenoyl-CoA
name: 5-Carboxy-2-pentenoyl-CoA + Water ↔ (3S)-3-Hydroxyadipyl-CoA
conversion direction: REVERSIBLE

Reference/CAS 7782-44-7
type: UnificationXref
id: 7782-44-7
db: CAS

Reaction1501391
type: BiochemicalReaction
participant stoichiometry: Compound/PW C007995 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040826 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000721 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144 Cytoplasm/Stoichiometry/1.0
right: Hydrogen Ion
right: NADH
right: 3-Oxoadipyl-CoA
spontaneous: false
left: (3S)-3-Hydroxyadipyl-CoA
left: NAD
name: (3S)-3-Hydroxyadipyl-CoA + NAD ↔ 3-Oxoadipyl-CoA + Hydrogen Ion + NADH
conversion direction: REVERSIBLE

Reference/HMDB HMDB0001377
type: UnificationXref
id: HMDB0001377
db: HMDB

Reference/HMDB HMDB0000045
type: UnificationXref
id: HMDB0000045
db: HMDB

Compound/PW C001065 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Oxygen
stoichiometric coefficient: 1.0

Reaction1501388
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001522 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001065 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000146 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000143 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247520 Cytoplasm/Stoichiometry/1.0
right: 2,3-Epoxy-2,3-dihydrobenzoyl-CoA
right: Water
right: NADP
spontaneous: false
left: Oxygen
left: Hydrogen Ion
left: Benzoyl-CoA
left: NADPH
name: Benzoyl-CoA + Hydrogen Ion + NADPH + Oxygen ↔ 2,3-Epoxy-2,3-dihydrobenzoyl-CoA + NADP + Water
conversion direction: REVERSIBLE

Reaction1501389
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001420 Cytoplasm/Stoichiometry/2.0
participant stoichiometry: Compound/PW C000092 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247521 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247520 Cytoplasm/Stoichiometry/1.0
right: Formic acid
right: 3,4-Didehydroadipyl-CoA semialdehyde
spontaneous: false
left: 2,3-Epoxy-2,3-dihydrobenzoyl-CoA
left: Water
name: 2,3-Epoxy-2,3-dihydrobenzoyl-CoA + 2 Water ↔ 3,4-Didehydroadipyl-CoA semialdehyde + Formic acid
conversion direction: REVERSIBLE

Reference/SMPDB SMP0525740
type: UnificationXref
id: SMP0525740
db: SMPDB

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

Reference/KEGG Compound C00512
type: UnificationXref
id: C00512
db: KEGG Compound

Compound/PW C040825 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 5-Carboxy-2-pentenoyl-CoA
stoichiometric coefficient: 1.0

ChemicalStructure/PW C040826
type: ChemicalStructure
structure format: SMILES

ChemicalStructure/PW C040825
type: ChemicalStructure
structure format: SMILES

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

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

ChemicalStructure/PW C001065
type: ChemicalStructure
structure format: SMILES
structure data: O=O

Reference/CAS 110-15-6
type: UnificationXref
id: 110-15-6
db: CAS

Reference/ChEBI CHEBI 30751
type: UnificationXref
id: CHEBI:30751
db: ChEBI

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

Compound/PW C247521 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3,4-Didehydroadipyl-CoA semialdehyde
stoichiometric coefficient: 1.0

Compound/PW C000032 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Adenosine monophosphate
stoichiometric coefficient: 1.0

ChemicalStructure/PW C000092
type: ChemicalStructure
structure format: SMILES
structure data: OC=O

Reference/HMDB HMDB0001022
type: UnificationXref
id: HMDB0001022
db: HMDB

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

Reference/ChEBI CHEBI 15379
type: UnificationXref
id: CHEBI:15379
db: ChEBI

Compound/PW C007995 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: (3S)-3-Hydroxyadipyl-CoA
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+]

Reference/ChEBI CHEBI 15490
type: UnificationXref
id: CHEBI:15490
db: ChEBI

ChemicalStructure/PW C000414
type: ChemicalStructure
structure format: SMILES

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

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

Reference/KEGG Compound C00091
type: UnificationXref
id: C00091
db: KEGG Compound

Compound/PW C040826 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-Oxoadipyl-CoA
stoichiometric coefficient: 1.0

Reference/PubChem-compound 93
type: UnificationXref
id: 93
db: PubChem-compound

Reference/PubChem-compound 6083
type: UnificationXref
id: 6083
db: PubChem-compound

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

Reference/CAS 64-18-6
type: UnificationXref
id: 64-18-6
db: CAS

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

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

Succinic acid
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Succinic acid

Reference/SMPDB SMP0268623
type: UnificationXref
id: SMP0268623
db: SMPDB

Compound/PW C000092 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Formic acid
stoichiometric coefficient: 1.0

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

Reference/BioCyc 3-METHYLBENZYLSUCCINYL-COA
type: UnificationXref
id: 3-METHYLBENZYLSUCCINYL-COA
db: BioCyc

Reference/HMDB HMDB0002252
type: UnificationXref
id: HMDB0002252
db: HMDB

Benzoate degradation II
type: Pathway
pathway order: PathwayEnzymeReaction/7512540
pathway order: PathwayTransport/7512546
pathway order: PathwayEnzymeReaction/7512541
pathway order: PathwayEnzymeReaction/7512542
pathway order: PathwayEnzymeReaction/7512543
pathway order: PathwayEnzymeReaction/7512538
pathway order: PathwayEnzymeReaction/7512539
pathway order: PathwayEnzymeReaction/7512535
pathway order: PathwaySubPathway/587581
pathway component: Reaction348980
pathway component: Transport89640
pathway component: Reaction1501390
pathway component: Reaction1501391
pathway component: 2.3.1.174
pathway component: TCA Cycle
pathway component: ReactionCatalysis1547232
pathway component: ReactionCatalysis1547220
pathway component: Reaction1501376
pathway component: ReactionCatalysis1547234
pathway component: Reaction1501388
pathway component: ReactionCatalysis1547233
pathway component: Reaction1501389
pathway component: ReactionCatalysis1547236
pathway component: ReactionCatalysis1547235
xref: Reference/PathWhiz PW553930
xref: Reference/SMPDB SMP0525740
organism: Bacteroides plebeius

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

Reference/PubChem-compound 3480
type: UnificationXref
id: 3480
db: PubChem-compound

Reference/PubChem-compound 977
type: UnificationXref
id: 977
db: PubChem-compound

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

Reference/ChemSpider 388384
type: UnificationXref
id: 388384
db: ChemSpider

Compound/PW C040813 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: diphosphate
stoichiometric coefficient: 1.0

Reference/PubChem-compound 439248
type: UnificationXref
id: 439248
db: PubChem-compound

2,3-Epoxy-2,3-dihydrobenzoyl-CoA
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 2,3-Epoxy-2,3-dihydrobenzoyl-CoA

Formic acid
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Formic acid

5-Carboxy-2-pentenoyl-CoA
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 5-Carboxy-2-pentenoyl-CoA

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

Reference/KEGG Compound C14145
type: UnificationXref
id: C14145
db: KEGG Compound

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