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

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

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

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

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

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

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

ChemicalStructure/PW C014968
type: ChemicalStructure
structure format: SMILES
structure data: CC(=O)C1=CC=CC=C1

Ethylbenzene
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0059905
xref: Reference/KEGG Compound C07111
xref: Reference/CAS 100-41-4
xref: Reference/ChemSpider 7219
xref: Reference/PubChem-compound 7500
xref: Reference/ChEBI CHEBI 16101
chemical formula: C8H10
molecular weight: 106.07825
structure: ChemicalStructure/PW C040291

Reference/ChemSpider 7219
type: UnificationXref
id: 7219
db: ChemSpider

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

ChemicalStructure/PW C097007
type: ChemicalStructure
structure format: SMILES
structure data: [O-]P([O-])([O-])=O

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

Reference/CAS 98-86-2
type: UnificationXref
id: 98-86-2
db: CAS

Reference/ChEBI CHEBI 27388
type: UnificationXref
id: CHEBI:27388
db: ChEBI

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

ChemicalStructure/PW C000463
type: ChemicalStructure
structure format: SMILES
structure data: OC(O)=O

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

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

Compound/PW C247523 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-Oxo-3-phenylpropanoate
stoichiometric coefficient: 1.0

Reaction1460233
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001099 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247524 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001522 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000940 Cytoplasm/Stoichiometry/1.0
right: Benzoyl-CoA
right: Acetyl-CoA
spontaneous: false
left: Coenzyme A
left: Benzoylacetyl-CoA
name: Benzoylacetyl-CoA + Coenzyme A ↔ Acetyl-CoA + Benzoyl-CoA
conversion direction: REVERSIBLE

6.4.1.8
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040034 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000463 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C014968 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C097007 Cytoplasm/Stoichiometry/2.0
participant stoichiometry: Compound/PW C000414 Cytoplasm/Stoichiometry/2.0
participant stoichiometry: Compound/PW C001034 Cytoplasm/Stoichiometry/2.0
participant stoichiometry: Compound/PW C247523 Cytoplasm/Stoichiometry/1.0
right: 3-Oxo-3-phenylpropanoate
right: Phosphate
right: Adenosine diphosphate
spontaneous: false
EC number: 6.4.1.8
left: Hydrogen Ion
left: Hydrogen carbonate
left: Water
left: Adenosine triphosphate
left: Acetophenone
name: Acetophenone + 2 Adenosine triphosphate + Hydrogen Ion + Hydrogen carbonate + Water ↔ 3-Oxo-3-phenylpropanoate + 2 Adenosine diphosphate + 2 Phosphate
conversion direction: REVERSIBLE

Reaction1460228
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001099 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247524 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C108886 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001034 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247523 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000414 Cytoplasm/Stoichiometry/1.0
right: Diphosphoric acid
right: Adenosine diphosphate
right: Benzoylacetyl-CoA
spontaneous: false
left: 3-Oxo-3-phenylpropanoate
left: Adenosine triphosphate
left: Coenzyme A
name: 3-Oxo-3-phenylpropanoate + Adenosine triphosphate + Coenzyme A ↔ Adenosine diphosphate + Benzoylacetyl-CoA + Diphosphoric acid
conversion direction: REVERSIBLE

Reference/BioCyc HCO3
type: UnificationXref
id: HCO3
db: BioCyc

Reference/HMDB HMDB0033910
type: UnificationXref
id: HMDB0033910
db: HMDB

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

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

Compound/PW C001034 Cytoplasm/Stoichiometry/2.0
type: Stoichiometry
physical entity: Adenosine diphosphate
stoichiometric coefficient: 2.0

Reference/KEGG Compound C11348
type: UnificationXref
id: C11348
db: KEGG Compound

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

Reference/CAS 100-41-4
type: UnificationXref
id: 100-41-4
db: CAS

ChemicalStructure/PW C001522
type: ChemicalStructure
structure format: SMILES

Reaction1460220
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040291 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247522 Cytoplasm/Stoichiometry/1.0
right: (S)-1-Phenylethanol
spontaneous: false
left: Ethylbenzene
name: Ethylbenzene ↔ (S)-1-Phenylethanol
conversion direction: REVERSIBLE

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

1.1.1.311
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040034 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000721 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C014968 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247522 Cytoplasm/Stoichiometry/1.0
right: Hydrogen Ion
right: NADH
right: Acetophenone
spontaneous: false
EC number: 1.1.1.311
left: (S)-1-Phenylethanol
left: NAD
name: (S)-1-Phenylethanol + NAD ↔ Acetophenone + Hydrogen Ion + NADH
conversion direction: REVERSIBLE

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

Compound/PW C000463 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Hydrogen carbonate
stoichiometric coefficient: 1.0

ChemicalStructure/PW C247522
type: ChemicalStructure
structure format: SMILES
structure data: [H][C@@](C)(O)C1=CC=CC=C1

ChemicalStructure/PW C247523
type: ChemicalStructure
structure format: SMILES
structure data: OC(=O)CC(=O)C1=CC=CC=C1

Compound/PW C000414 Cytoplasm/Stoichiometry/2.0
type: Stoichiometry
physical entity: Adenosine triphosphate
stoichiometric coefficient: 2.0

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

Reference/PubChem-compound 1023
type: UnificationXref
id: 1023
db: PubChem-compound

ChemicalStructure/PW C001099
type: ChemicalStructure
structure format: SMILES

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

3-Oxo-3-phenylpropanoate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 3-Oxo-3-phenylpropanoate

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

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

Reference/ChEBI CHEBI 27632
type: UnificationXref
id: CHEBI:27632
db: ChEBI

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

Diphosphoric acid
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 29888
xref: Reference/CAS 2466-09-3
xref: Reference/KEGG Compound C00013
xref: Reference/PubChem-compound 1023
chemical formula: H4O7P2
molecular weight: 177.94322
structure: ChemicalStructure/PW C108886

Compound/PW C097007 Cytoplasm/Stoichiometry/2.0
type: Stoichiometry
physical entity: Phosphate
stoichiometric coefficient: 2.0

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

(S)-1-Phenylethanol
type: SmallMolecule
cellular location: Cytoplasm
entity reference: (S)-1-Phenylethanol

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

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

Reference/SMPDB SMP0246328
type: UnificationXref
id: SMP0246328
db: SMPDB

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

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

Reference/ChemSpider 7132
type: UnificationXref
id: 7132
db: ChemSpider

Reference/KEGG Compound C00002
type: UnificationXref
id: C00002
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

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

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

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

Reference/KEGG Compound C00013
type: UnificationXref
id: C00013
db: KEGG Compound

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

Reference/HMDB HMDB0000595
type: UnificationXref
id: HMDB0000595
db: HMDB

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

Reference/PathWhiz PW248089
type: UnificationXref
id: PW248089
db: PathWhiz

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

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

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

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

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

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

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

Phosphate
type: SmallMoleculeReference
xref: Reference/PubChem-compound 1061
chemical formula: O4P
molecular weight: 94.95342
structure: ChemicalStructure/PW C097007

Reference/PubChem-compound 13523
type: UnificationXref
id: 13523
db: PubChem-compound

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

Bacteroides faecis MAJ27
type: BioSource
xref: Reference/TAXONOMY 1077285

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

Reference/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/PubChem-compound 769
type: UnificationXref
id: 769
db: PubChem-compound

ReactionCatalysis1502429
type: Catalysis
controller: Unknown
controlled: 1.1.1.311
control type: ACTIVATION

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/KEGG Compound C07113
type: UnificationXref
id: C07113
db: KEGG Compound

ChemicalStructure/PW C001144
type: ChemicalStructure
structure format: SMILES

Reference/KEGG Compound C07114
type: UnificationXref
id: C07114
db: KEGG Compound

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

Compound/PW C247524 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Benzoylacetyl-CoA
stoichiometric coefficient: 1.0

Reference/KEGG Compound C07111
type: UnificationXref
id: C07111
db: KEGG Compound

Benzoate degradation I
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway573554
pathway component: SubPathwayInteraction573554
xref: Reference/PathWhiz PW248089
xref: Reference/SMPDB SMP0246328
name: SubPathway

ReactionCatalysis1502435
type: Catalysis
controller: Unknown
controlled: Reaction1460228
control type: ACTIVATION

ReactionCatalysis1502433
type: Catalysis
controller: Unknown
controlled: 6.4.1.8
control type: ACTIVATION

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

Reference/SMPDB SMP0514712
type: UnificationXref
id: SMP0514712
db: SMPDB

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

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

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

Reference/KEGG Compound C07118
type: UnificationXref
id: C07118
db: KEGG Compound

Unknown
type: ProteinReference
organism: Bacteroides faecis MAJ27

Reference/PubChem-compound 7500
type: UnificationXref
id: 7500
db: PubChem-compound

Reference/KEGG Compound C00288
type: UnificationXref
id: C00288
db: KEGG Compound

ChemicalStructure/PW C001034
type: ChemicalStructure
structure format: SMILES

3-Oxo-3-phenylpropanoate
type: SmallMoleculeReference
xref: Reference/PubChem-compound 9325
xref: Reference/KEGG Compound C07114
xref: Reference/ChEBI CHEBI 28759
chemical formula: C9H8O3
molecular weight: 164.04735
structure: ChemicalStructure/PW C247523

(S)-1-Phenylethanol
type: SmallMoleculeReference
xref: Reference/KEGG Compound C11348
xref: Reference/ChEBI CHEBI 16346
xref: Reference/PubChem-compound 13523
chemical formula: C8H10O
molecular weight: 122.073166
structure: ChemicalStructure/PW C247522

ReactionCatalysis1502440
type: Catalysis
controller: Unknown
controlled: Reaction1460233
control type: ACTIVATION

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

Benzoylacetyl-CoA
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 27388
xref: Reference/PubChem-compound 9329
xref: Reference/KEGG Compound C07118
chemical formula: C30H42N7O18P3S
molecular weight: 913.152

Reference/ChEBI CHEBI 28759
type: UnificationXref
id: CHEBI:28759
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

Reference/PubChem-compound 7410
type: UnificationXref
id: 7410
db: PubChem-compound

Reference/PathWhiz PW541787
type: UnificationXref
id: PW541787
db: PathWhiz

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

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

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

ChemicalStructure/PW C000940
type: ChemicalStructure
structure format: SMILES

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

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

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

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

ChemicalStructure/PW C108886
type: ChemicalStructure
structure format: SMILES
structure data: OP(O)(=O)OP(O)(O)=O

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

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

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

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

ReactionCatalysis1502427
type: Catalysis
controller: Unknown
controlled: Reaction1460220
control type: ACTIVATION

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

Reference/ChEBI CHEBI 17544
type: UnificationXref
id: CHEBI:17544
db: ChEBI

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

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

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

Compound/PW C014968 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Acetophenone
stoichiometric coefficient: 1.0

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

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

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

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

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

SubPathwayInteraction573554
type: Interaction
name: SubPathway573554Reaction
name: SubPathwayReaction
participant: Benzoyl-CoA

Transport90040
type: Transport
participant stoichiometry: Compound/PW C040291 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040291 Extracellular Space/Stoichiometry/1.0
right: Ethylbenzene
spontaneous: true
left: Ethylbenzene
name: Ethylbenzene (→) Transport: Bacteroides faecis MAJ27, Extracellular Space to Bacteroides faecis MAJ27, Cell, Cytoplasm
conversion direction: REVERSIBLE

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

Reference/PubChem-compound 9325
type: UnificationXref
id: 9325
db: PubChem-compound

Reference/ChEBI CHEBI 16346
type: UnificationXref
id: CHEBI:16346
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/PubChem-compound 9329
type: UnificationXref
id: 9329
db: PubChem-compound

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

Ethylbenzene degradation
type: Pathway
pathway order: PathwayEnzymeReaction/7388846
pathway order: PathwayEnzymeReaction/7388848
pathway order: PathwayEnzymeReaction/7388859
pathway order: PathwaySubPathway/573554
pathway order: PathwayEnzymeReaction/7388852
pathway order: PathwayTransport/7388862
pathway order: PathwayEnzymeReaction/7388856
pathway component: 6.4.1.8
pathway component: ReactionCatalysis1502440
pathway component: Reaction1460228
pathway component: ReactionCatalysis1502429
pathway component: Benzoate degradation I
pathway component: ReactionCatalysis1502427
pathway component: Reaction1460220
pathway component: ReactionCatalysis1502435
pathway component: 1.1.1.311
pathway component: ReactionCatalysis1502433
pathway component: Reaction1460233
pathway component: Transport90040
xref: Reference/PathWhiz PW541787
xref: Reference/SMPDB SMP0514712
organism: Bacteroides faecis MAJ27

ChemicalStructure/PW C000414
type: ChemicalStructure
structure format: SMILES

Reference/ChEBI CHEBI 16101
type: UnificationXref
id: CHEBI:16101
db: ChEBI

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

Compound/PW C040291 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Ethylbenzene
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 29888
type: UnificationXref
id: CHEBI:29888
db: ChEBI

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

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

Reference/CAS 2466-09-3
type: UnificationXref
id: 2466-09-3
db: CAS

Compound/PW C108886 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Diphosphoric acid
stoichiometric coefficient: 1.0

Acetophenone
type: SmallMoleculeReference
xref: Reference/KEGG Compound C07113
xref: Reference/PubChem-compound 7410
xref: Reference/ChEBI CHEBI 27632
xref: Reference/HMDB HMDB0033910
xref: Reference/CAS 98-86-2
xref: Reference/ChemSpider 7132
chemical formula: C8H8O
molecular weight: 120.05752
structure: ChemicalStructure/PW C014968

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

Compound/PW C040291 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Ethylbenzene
stoichiometric coefficient: 1.0

ChemicalStructure/PW C040291
type: ChemicalStructure
structure format: SMILES
structure data: CCC1=CC=CC=C1

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

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

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

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

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

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

Reference/ChemSpider 749
type: UnificationXref
id: 749
db: ChemSpider

Reference/CAS 71-52-3
type: UnificationXref
id: 71-52-3
db: CAS

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

Compound/PW C247522 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: (S)-1-Phenylethanol
stoichiometric coefficient: 1.0

Reference/HMDB HMDB0059905
type: UnificationXref
id: HMDB0059905
db: HMDB

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

Reference/TAXONOMY 1077285
type: UnificationXref
id: 1077285
db: TAXONOMY

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

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

Hydrogen carbonate
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0000595
xref: Reference/ChEBI CHEBI 17544
xref: Reference/PubChem-compound 769
xref: Reference/BioCyc HCO3
xref: Reference/ChemSpider 749
xref: Reference/CAS 71-52-3
xref: Reference/KEGG Compound C00288
chemical formula: CH2O3
molecular weight: 62.000393
structure: ChemicalStructure/PW C000463