Reference/CAS 51-41-2
type: UnificationXref
id: 51-41-2
db: CAS

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

1.14.17.1
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000977 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000052 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001065 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000031 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000142 Cytosol/Stoichiometry/1.0
right: Norepinephrine
right: Dehydroascorbic acid
right: Water
spontaneous: false
EC number: 1.14.17.1
left: Ascorbic acid
left: Oxygen
left: Dopamine
name: Ascorbic acid + Dopamine + Oxygen → Dehydroascorbic acid + Norepinephrine + Water
conversion direction: LEFT_TO_RIGHT

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

Compound/PW C000458 Cell Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Sodium
stoichiometric coefficient: 1.0

Reference/PubChem-compound 439280
type: UnificationXref
id: 439280
db: PubChem-compound

BiologicalState789
type: BioSource
cell type: Neuron
xref: Reference/TAXONOMY 9606
name: Homo sapiens, Brain, Neuron
tissue: Brain

Dopamine
type: SmallMolecule
entity reference: Dopamine

direct_interaction
type: InteractionVocabulary

Tyrosine 3-monooxygenase
type: ProteinReference
xref: Reference/UniProt P07101
organism: BiologicalState789

Compound/PW C000103 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: L-Tyrosine
stoichiometric coefficient: 1.0

ChemicalStructure/PW C001541
type: ChemicalStructure
structure format: SMILES

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

Reference/GENE ONTOLOGY GO 0070382
type: UnificationXref
id: GO:0070382
db: GENE ONTOLOGY

Compound/PW C000052 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dopamine
stoichiometric coefficient: 1.0

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

1.14.16.2
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000103 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000117 Cytosol/Stoichiometry/1.0
right: L-Dopa
spontaneous: false
EC number: 1.14.16.2
left: L-Tyrosine
name: L-Tyrosine → L-Dopa
conversion direction: LEFT_TO_RIGHT

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

Ascorbic acid
type: SmallMoleculeReference
xref: Reference/BioCyc ASCORBATE
xref: Reference/ChemSpider 10189562
xref: Reference/KEGG Compound C00072
xref: Reference/ChEBI CHEBI 29073
xref: Reference/CAS 50-81-7
xref: Reference/PubChem-compound 54670067
xref: Reference/HMDB HMDB0000044
chemical formula: C6H8O6
molecular weight: 176.03209
structure: ChemicalStructure/PW C000031

Compound/PW C000019 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Tetrahydrobiopterin
stoichiometric coefficient: 1.0

Reference/KEGG Compound C01416
type: UnificationXref
id: C01416
db: KEGG Compound

Interaction3295
type: MolecularInteraction
interaction type: direct_interaction
name: Cocaine inhibits Sodium-dependent dopamine transporter
participant: Sodium-dependent dopamine transporter
participant: Cocaine

Reference/UniProt P31645
type: UnificationXref
id: P31645
db: UniProt

Alpha-1A adrenergic receptor
type: ProteinReference
xref: Reference/UniProt P35348
organism: BiologicalState48

Brain
type: TissueVocabulary
xref: Reference/BRENDA TISSUE ONTOLOGY BTO 0000142

Reference/ChemSpider 5833
type: UnificationXref
id: 5833
db: ChemSpider

Reference/UniProt Q01959
type: UnificationXref
id: Q01959
db: UniProt

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

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

Reference/PubChem-compound 1125
type: UnificationXref
id: 1125
db: PubChem-compound

Reference/UniProt P09172
type: UnificationXref
id: P09172
db: UniProt

Transport10950
type: Transport
participant stoichiometry: Compound/PW C000052 Exocytic Vesicle/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000052 Cytosol/Stoichiometry/1.0
right: Dopamine
spontaneous: false
left: Dopamine
name: Dopamine (→) Transport: Homo sapiens, Brain, Neuron, Cytosol to Homo sapiens, Cell, Exocytic Vesicle
conversion direction: LEFT_TO_RIGHT

ChemicalStructure/PW C000103
type: ChemicalStructure
structure format: SMILES
structure data: N[C@@H](CC1=CC=C(O)C=C1)C(O)=O

Aromatic-L-amino-acid decarboxylase
type: ProteinReference
xref: Reference/UniProt P20711
organism: BiologicalState48

D(1A) dopamine receptor
type: Protein
entity reference: D(1A) dopamine receptor

Reference/UniProt P21728
type: UnificationXref
id: P21728
db: UniProt

Reference/HMDB HMDB0002281
type: UnificationXref
id: HMDB0002281
db: HMDB

Reference/BioCyc L-DOPA
type: UnificationXref
id: L-DOPA
db: BioCyc

Transport10949
type: Transport
participant stoichiometry: Compound/PW C000142 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000142 Exocytic Vesicle/Stoichiometry/1.0
right: Norepinephrine
spontaneous: false
left: Norepinephrine
name: Norepinephrine (→) Transport: Homo sapiens, Brain, Cell, Cytoplasm to Homo sapiens, Cell, Exocytic Vesicle
conversion direction: LEFT_TO_RIGHT

Compound/PW C009355 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cocaine
stoichiometric coefficient: 1.0

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

Compound/PW C000178 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Serotonin
stoichiometric coefficient: 1.0

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

Sodium-dependent serotonin transporter
type: Protein
entity reference: Sodium-dependent serotonin transporter

Reference/PubChem-compound 6047
type: UnificationXref
id: 6047
db: PubChem-compound

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

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

Reference/ChemSpider 10189562
type: UnificationXref
id: 10189562
db: ChemSpider

Sodium
type: SmallMolecule
cellular location: Cell Membrane
entity reference: Sodium

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

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

Norepinephrine
type: SmallMolecule
cellular location: Exocytic Vesicle
entity reference: Norepinephrine

Synaptic vesicular amine transporter
type: Protein
entity reference: Synaptic vesicular amine transporter

Tetrahydrobiopterin
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00272
xref: Reference/HMDB HMDB0000027
xref: Reference/CAS 17528-72-2
xref: Reference/BioCyc TETRA-H-BIOPTERIN
xref: Reference/PubChem-compound 1125
xref: Reference/ChemSpider 1093
xref: Reference/ChEBI CHEBI 15372
chemical formula: C9H15N5O3
molecular weight: 241.1175
structure: ChemicalStructure/PW C000019

Reference/CAS 50-67-9
type: UnificationXref
id: 50-67-9
db: CAS

ReactionCoupledTransportCatalysis522
type: Catalysis
controller: Sodium-dependent noradrenaline transporter
controlled: ReactionCoupledTransport479
control type: ACTIVATION

ReactionCoupledTransportCatalysis521
type: Catalysis
controller: Sodium-dependent dopamine transporter
controlled: ReactionCoupledTransport478
control type: ACTIVATION

Reference/UniProt P35348
type: UnificationXref
id: P35348
db: UniProt

Sodium-dependent noradrenaline transporter
type: Protein
cellular location: Extracellular Space
entity reference: Sodium-dependent noradrenaline transporter

Reference/ChemSpider 10194104
type: UnificationXref
id: 10194104
db: ChemSpider

Reference/CAS 73-22-3
type: UnificationXref
id: 73-22-3
db: CAS

Dehydroascorbic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: Dehydroascorbic acid

Norepinephrine
type: SmallMolecule
entity reference: Norepinephrine

Dopamine
type: SmallMolecule
cellular location: Cytosol
entity reference: Dopamine

Norepinephrine
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00547
xref: Reference/ChEBI CHEBI 18357
xref: Reference/CAS 51-41-2
xref: Reference/HMDB HMDB0000216
xref: Reference/PubChem-compound 439260
xref: Reference/ChemSpider 388394
xref: Reference/BioCyc NOREPINEPHRINE
chemical formula: C8H11NO3
molecular weight: 169.0739
structure: ChemicalStructure/PW C000142

Compound/PW C000358 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: 5-Hydroxy-L-tryptophan
stoichiometric coefficient: 1.0

Sodium-dependent serotonin transporter
type: Protein
cellular location: Extracellular Space
entity reference: Sodium-dependent serotonin transporter

Reference/ChEBI CHEBI 18357
type: UnificationXref
id: CHEBI:18357
db: ChEBI

Reference/ChEBI CHEBI 15765
type: UnificationXref
id: CHEBI:15765
db: ChEBI

L-Tryptophan
type: SmallMoleculeReference
xref: Reference/CAS 73-22-3
xref: Reference/KEGG Compound C00078
xref: Reference/ChEBI CHEBI 16828
xref: Reference/PubChem-compound 6305
xref: Reference/BioCyc TRP
xref: Reference/HMDB HMDB0000929
xref: Reference/ChemSpider 6066
chemical formula: C11H12N2O2
molecular weight: 204.08987
structure: ChemicalStructure/PW C000741

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

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

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

Reference/KEGG Compound C00355
type: UnificationXref
id: C00355
db: KEGG Compound

Reference/PubChem-compound 681
type: UnificationXref
id: 681
db: PubChem-compound

Compound/PW C000741 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: L-Tryptophan
stoichiometric coefficient: 1.0

ReactionCoupledTransport479
type: TransportWithBiochemicalReaction
participant stoichiometry: Compound/PW C000142 Cell Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000458 Cell Membrane/Stoichiometry/1.0
right: Norepinephrine
right: Sodium
spontaneous: false
left: Norepinephrine
left: Sodium
name: Norepinephrine + Sodium → Norepinephrine + Sodium
conversion direction: LEFT_TO_RIGHT

Reference/HMDB HMDB0000216
type: UnificationXref
id: HMDB0000216
db: HMDB

ReactionCoupledTransport478
type: TransportWithBiochemicalReaction
participant stoichiometry: Compound/PW C000052 Cell Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000458 Cell Membrane/Stoichiometry/1.0
right: Sodium
right: Dopamine
spontaneous: false
left: Sodium
left: Dopamine
name: Dopamine + Sodium → Dopamine + Sodium
conversion direction: LEFT_TO_RIGHT

Reference/GENE ONTOLOGY GO 0005886
type: UnificationXref
id: GO:0005886
db: GENE ONTOLOGY

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

Compound/PW C000178 Exocytic Vesicle/Stoichiometry/1.0
type: Stoichiometry
physical entity: Serotonin
stoichiometric coefficient: 1.0

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

Compound/PW C000052 Exocytic Vesicle/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dopamine
stoichiometric coefficient: 1.0

Reference/SMPDB SMP0122751
type: UnificationXref
id: SMP0122751
db: SMPDB

Reference/KEGG Compound C03758
type: UnificationXref
id: C03758
db: KEGG Compound

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

Transport162
type: Transport
participant stoichiometry: Compound/PW C000052 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000052/Stoichiometry/1.0
right: Dopamine
spontaneous: false
left: Dopamine
name: Dopamine (→) Transport: Homo sapiens, Neuron to Homo sapiens, Neuron, Extracellular Space
conversion direction: LEFT_TO_RIGHT

ChemicalStructure/PW C000019
type: ChemicalStructure
structure format: SMILES

Reference/CAS 50-81-7
type: UnificationXref
id: 50-81-7
db: CAS

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

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

Reference/ChEBI CHEBI 18243
type: UnificationXref
id: CHEBI:18243
db: ChEBI

ChemicalStructure/PW C000142
type: ChemicalStructure
structure format: SMILES
structure data: NC[C@H](O)C1=CC(O)=C(O)C=C1

Reference/UniProt P20711
type: UnificationXref
id: P20711
db: UniProt

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

Reference/ChemSpider 182283
type: UnificationXref
id: 182283
db: ChemSpider

Tetrahydrobiopterin
type: SmallMolecule
cellular location: Cytosol
entity reference: Tetrahydrobiopterin

Reference/ChemSpider 388413
type: UnificationXref
id: 388413
db: ChemSpider

5-hydroxytryptamine receptor 1A
type: Protein
cellular location: Extracellular Space
entity reference: 5-hydroxytryptamine receptor 1A

Serotonin
type: SmallMolecule
cellular location: Exocytic Vesicle
entity reference: Serotonin

BiologicalState48
type: BioSource
cell type: Neuron
xref: Reference/TAXONOMY 9606
name: Homo sapiens, Neuron

Sodium-dependent noradrenaline transporter
type: ProteinReference
xref: Reference/UniProt P23975
organism: BiologicalState789

Reference/CELL TYPE ONTOLOGY CL 0000540
type: UnificationXref
id: CL:0000540
db: CELL TYPE ONTOLOGY

D(1A) dopamine receptor
type: ProteinReference
xref: Reference/UniProt P21728
organism: BiologicalState48

Neuron
type: CellVocabulary
xref: Reference/CELL TYPE ONTOLOGY CL 0000540

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

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

Compound/PW C000142 Cell Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Norepinephrine
stoichiometric coefficient: 1.0

Reference/HMDB HMDB0015043
type: UnificationXref
id: HMDB0015043
db: HMDB

Dopamine beta-hydroxylase
type: ProteinReference
xref: Reference/UniProt P09172
organism: BiologicalState789

Reference/ChEBI CHEBI 17242
type: UnificationXref
id: CHEBI:17242
db: ChEBI

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

Interaction3327
type: MolecularInteraction
interaction type: direct_interaction
name: Cocaine inhibits Sodium-dependent noradrenaline transporter
participant: Cocaine
participant: Sodium-dependent noradrenaline transporter

Interaction3328
type: MolecularInteraction
interaction type: direct_interaction
name: Cocaine inhibits Sodium-dependent serotonin transporter
participant: Cocaine
participant: Sodium-dependent serotonin transporter

Compound/PW C000052 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dopamine
stoichiometric coefficient: 1.0

Reference/BioCyc 5-HYDROXY-TRYPTOPHAN
type: UnificationXref
id: 5-HYDROXY-TRYPTOPHAN
db: BioCyc

Serotonin
type: SmallMoleculeReference
xref: Reference/CAS 50-67-9
xref: Reference/HMDB HMDB0000259
xref: Reference/ChemSpider 5013
xref: Reference/KEGG Compound C00780
xref: Reference/ChEBI CHEBI 28790
xref: Reference/PubChem-compound 5202
chemical formula: C10H12N2O
molecular weight: 176.09496
structure: ChemicalStructure/PW C000178

Reference/ChEBI CHEBI 16828
type: UnificationXref
id: CHEBI:16828
db: ChEBI

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

Dopamine
type: SmallMoleculeReference
xref: Reference/CAS 51-61-6
xref: Reference/KEGG Compound C03758
xref: Reference/ChemSpider 661
xref: Reference/BioCyc DOPAMINE
xref: Reference/HMDB HMDB0000073
xref: Reference/PubChem-compound 681
xref: Reference/ChEBI CHEBI 18243
chemical formula: C8H11NO2
molecular weight: 153.07898
structure: ChemicalStructure/PW C000052

Reference/HMDB HMDB0000472
type: UnificationXref
id: HMDB0000472
db: HMDB

Sodium-dependent serotonin transporter
type: ProteinReference
xref: Reference/UniProt P31645

Dehydroascorbic acid
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00425
xref: Reference/BioCyc L-DEHYDRO-ASCORBATE
xref: Reference/CAS 490-83-5
xref: Reference/ChemSpider 182283
xref: Reference/PubChem-compound 210328
xref: Reference/ChEBI CHEBI 17242
xref: Reference/HMDB HMDB0001264
chemical formula: C6H6O6
molecular weight: 174.01643
structure: ChemicalStructure/PW C000977

Tyrosine 3-monooxygenase
type: Protein
cellular location: Cytosol
entity reference: Tyrosine 3-monooxygenase

ChemicalStructure/PW C000117
type: ChemicalStructure
structure format: SMILES
structure data: N[C@@H](CC1=CC=C(O)C(O)=C1)C(O)=O

Reference/ChEBI CHEBI 27958
type: UnificationXref
id: CHEBI:27958
db: ChEBI

ChemicalStructure/PW C000358
type: ChemicalStructure
structure format: SMILES
structure data: N[C@@H](CC1=CNC2=C1C=C(O)C=C2)C(O)=O

Reference/UniProt P08183
type: UnificationXref
id: P08183
db: UniProt

Reference/ChemSpider 6066
type: UnificationXref
id: 6066
db: ChemSpider

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

Reference/KEGG Compound C00272
type: UnificationXref
id: C00272
db: KEGG Compound

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

1.14.16.4
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000741 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001065 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001541 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000019 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000358 Cytosol/Stoichiometry/1.0
right: 4a-Hydroxytetrahydrobiopterin
right: 5-Hydroxy-L-tryptophan
spontaneous: false
EC number: 1.14.16.4
left: Oxygen
left: L-Tryptophan
left: Tetrahydrobiopterin
name: L-Tryptophan + Oxygen + Tetrahydrobiopterin → 4a-Hydroxytetrahydrobiopterin + 5-Hydroxy-L-tryptophan
conversion direction: LEFT_TO_RIGHT

4.1.1.28
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001316 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000178 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000358 Cytosol/Stoichiometry/1.0
right: Carbon dioxide
right: Serotonin
spontaneous: false
EC number: 4.1.1.28
left: 5-Hydroxy-L-tryptophan
name: 5-Hydroxy-L-tryptophan → Carbon dioxide + Serotonin
conversion direction: LEFT_TO_RIGHT

Reference/PubChem-compound 54670067
type: UnificationXref
id: 54670067
db: PubChem-compound

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

Norepinephrine
type: SmallMolecule
cellular location: Cell Membrane
entity reference: Norepinephrine

4a-Hydroxytetrahydrobiopterin
type: SmallMolecule
cellular location: Cytosol
entity reference: 4a-Hydroxytetrahydrobiopterin

Synaptic vesicular amine transporter
type: ProteinReference
xref: Reference/UniProt Q05940

Dopamine
type: SmallMolecule
cellular location: Exocytic Vesicle
entity reference: Dopamine

Reference/PubChem-compound 6305
type: UnificationXref
id: 6305
db: PubChem-compound

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

Compound/PW C000142 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Norepinephrine
stoichiometric coefficient: 1.0

Reference/HMDB HMDB0000929
type: UnificationXref
id: HMDB0000929
db: HMDB

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

Reference/BRENDA TISSUE ONTOLOGY BTO 0000142
type: UnificationXref
id: BTO:0000142
db: BRENDA TISSUE ONTOLOGY

ChemicalStructure/PW C000052
type: ChemicalStructure
structure format: SMILES
structure data: NCCC1=CC(O)=C(O)C=C1

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

Reference/HMDB HMDB0000259
type: UnificationXref
id: HMDB0000259
db: HMDB

Reference/BioCyc TETRA-H-BIOPTERIN
type: UnificationXref
id: TETRA-H-BIOPTERIN
db: BioCyc

ChemicalStructure/PW C000178
type: ChemicalStructure
structure format: SMILES
structure data: NCCC1=CNC2=C1C=C(O)C=C2

Reference/KEGG Compound C15522
type: UnificationXref
id: C15522
db: KEGG Compound

Reference/PubChem-compound 210328
type: UnificationXref
id: 210328
db: PubChem-compound

Compound/PW C000142 Exocytic Vesicle/Stoichiometry/1.0
type: Stoichiometry
physical entity: Norepinephrine
stoichiometric coefficient: 1.0

Cocaine Drug Action Action Pathway (New) -- DISCARDED
type: Pathway
pathway order: PathwayInteraction/3151
pathway order: PathwayInteraction/3140
pathway order: PathwayEnzymeReaction/2463025
pathway order: PathwayEnzymeReaction/2463024
pathway order: PathwayEnzymeReaction/2463023
pathway order: PathwayEnzymeReaction/2463022
pathway order: PathwayTransport/2463028
pathway order: PathwayEnzymeReaction/2463021
pathway order: PathwayTransport/2463027
pathway order: PathwayEnzymeReaction/2463020
pathway order: PathwayTransport/2463029
pathway order: PathwayTransport/2463026
pathway order: PathwayEnzymeReaction/2463019
pathway order: PathwayTransport/2463031
pathway order: PathwayTransport/2463030
pathway order: PathwayTransport/2463055
pathway order: PathwayInteraction/3219
pathway order: PathwayInteraction/3328
pathway order: PathwayInteraction/3327
pathway order: PathwayInteraction/3295
pathway component: Transport10949
pathway component: Interaction3140
pathway component: TransportCatalysis2111
pathway component: 1.14.17.1
pathway component: Transport10860
pathway component: ReactionCoupledTransport479
pathway component: Interaction3327
pathway component: Interaction3328
pathway component: ReactionCoupledTransport478
pathway component: TransportCatalysis2030
pathway component: TransportCatalysis2110
pathway component: 1.14.16.2
pathway component: ReactionCatalysis1364
pathway component: ReactionCatalysis1363
pathway component: Interaction3151
pathway component: TransportCatalysis2129
pathway component: Interaction3295
pathway component: ReactionCoupledTransportCatalysis522
pathway component: ReactionCoupledTransportCatalysis521
pathway component: TransportCatalysis2048
pathway component: Transport162
pathway component: Transport10855
pathway component: Transport10878
pathway component: Transport10950
pathway component: Transport10973
pathway component: Interaction3219
pathway component: 1.14.16.4
pathway component: 4.1.1.28
pathway component: ReactionCatalysis118
pathway component: ReactionCatalysis115
pathway component: ReactionCatalysis214
xref: Reference/SMPDB SMP0122751
xref: Reference/PathWhiz PW124082
organism: Homo sapiens

Compound/PW C000977 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dehydroascorbic acid
stoichiometric coefficient: 1.0

Reference/CAS 4350-09-8
type: UnificationXref
id: 4350-09-8
db: CAS

Reference/PubChem-compound 5202
type: UnificationXref
id: 5202
db: PubChem-compound

Reference/UniProt Q05940
type: UnificationXref
id: Q05940
db: UniProt

ChemicalStructure/PW C000977
type: ChemicalStructure
structure format: SMILES
structure data: [H][C@@]1(OC(=O)C(=O)C1=O)[C@H](O)CO

ChemicalStructure/PW C000741
type: ChemicalStructure
structure format: SMILES
structure data: N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O

Reference/HMDB HMDB0000027
type: UnificationXref
id: HMDB0000027
db: HMDB

Reference/CAS 59-92-7
type: UnificationXref
id: 59-92-7
db: CAS

Reference/UniProt P17752
type: UnificationXref
id: P17752
db: UniProt

Interaction3219
type: MolecularInteraction
interaction type: direct_interaction
name: Dopamine activates D(1A) dopamine receptor
participant: Dopamine
participant: D(1A) dopamine receptor

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

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

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

Compound/PW C000178 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Serotonin
stoichiometric coefficient: 1.0

Compound/PW C001541 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: 4a-Hydroxytetrahydrobiopterin
stoichiometric coefficient: 1.0

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

Reference/CAS 51-61-6
type: UnificationXref
id: 51-61-6
db: CAS

Homo sapiens
type: BioSource
xref: Reference/TAXONOMY 9606

Compound/PW C000142 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Norepinephrine
stoichiometric coefficient: 1.0

Multidrug resistance protein 1
type: Protein
entity reference: Multidrug resistance protein 1

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

Ascorbic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: Ascorbic acid

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

Reference/HMDB HMDB0000158
type: UnificationXref
id: HMDB0000158
db: HMDB

ChemicalStructure/PW C000031
type: ChemicalStructure
structure format: SMILES
structure data: [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO

Exocytic Vesicle
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0070382

TransportCatalysis2030
type: Catalysis
controller: Sodium-dependent serotonin transporter
controlled: Transport10860
control type: ACTIVATION

Compound/PW C009355/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cocaine
stoichiometric coefficient: 1.0

Compound/PW C000178 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Serotonin
stoichiometric coefficient: 1.0

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

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

Reference/CAS 60-18-4
type: UnificationXref
id: 60-18-4
db: CAS

Sodium-dependent dopamine transporter
type: ProteinReference
xref: Reference/UniProt Q01959
organism: BiologicalState48

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

TransportCatalysis2048
type: Catalysis
controller: Synaptic vesicular amine transporter
controlled: Transport10878
control type: ACTIVATION

Reference/PubChem-compound 129803
type: UnificationXref
id: 129803
db: PubChem-compound

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

Reference/ChemSpider 1093
type: UnificationXref
id: 1093
db: ChemSpider

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

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

Tryptophan 5-hydroxylase 1
type: ProteinReference
xref: Reference/UniProt P17752
organism: BiologicalState48

Tryptophan 5-hydroxylase 1
type: Protein
cellular location: Cytosol
entity reference: Tryptophan 5-hydroxylase 1

Reference/ChemSpider 661
type: UnificationXref
id: 661
db: ChemSpider

Reference/KEGG Compound C00072
type: UnificationXref
id: C00072
db: KEGG Compound

Sodium-dependent noradrenaline transporter
type: Protein
cellular location: Cell Membrane
entity reference: Sodium-dependent noradrenaline transporter

Cocaine
type: SmallMolecule
entity reference: Cocaine

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

Cocaine
type: SmallMoleculeReference
xref: Reference/ChemSpider 10194104
xref: Reference/CAS 50-36-2
xref: Reference/KEGG Compound C01416
xref: Reference/PubChem-compound 446220
xref: Reference/ChEBI CHEBI 27958
xref: Reference/HMDB HMDB0015043
chemical formula: C17H21NO4
molecular weight: 303.14706
structure: ChemicalStructure/PW C009355

Reference/HMDB HMDB0000044
type: UnificationXref
id: HMDB0000044
db: HMDB

Compound/PW C000052/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dopamine
stoichiometric coefficient: 1.0

Reference/TAXONOMY 9606
type: UnificationXref
id: 9606
db: TAXONOMY

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

Reference/CAS 50-36-2
type: UnificationXref
id: 50-36-2
db: CAS

Interaction3140
type: MolecularInteraction
interaction type: direct_interaction
name: Norepinephrine activates Alpha-1A adrenergic receptor
participant: Norepinephrine
participant: Alpha-1A adrenergic receptor

Reference/CAS 70110-58-6
type: UnificationXref
id: 70110-58-6
db: CAS

5-hydroxytryptamine receptor 1A
type: ProteinReference
xref: Reference/UniProt P08908
organism: BiologicalState48

Reference/UniProt P07101
type: UnificationXref
id: P07101
db: UniProt

Reference/CAS 17528-72-2
type: UnificationXref
id: 17528-72-2
db: CAS

L-Tyrosine
type: SmallMoleculeReference
xref: Reference/CAS 60-18-4
xref: Reference/PubChem-compound 6057
xref: Reference/HMDB HMDB0000158
xref: Reference/ChEBI CHEBI 17895
xref: Reference/KEGG Compound C00082
xref: Reference/ChemSpider 5833
xref: Reference/BioCyc TYR
chemical formula: C9H11NO3
molecular weight: 181.0739
structure: ChemicalStructure/PW C000103

Reference/KEGG Compound C00078
type: UnificationXref
id: C00078
db: KEGG Compound

Reference/ChemSpider 114908
type: UnificationXref
id: 114908
db: ChemSpider

Reference/ChemSpider 388394
type: UnificationXref
id: 388394
db: ChemSpider

Reference/ChEBI CHEBI 17780
type: UnificationXref
id: CHEBI:17780
db: ChEBI

Alpha-1A adrenergic receptor
type: Protein
entity reference: Alpha-1A adrenergic receptor

Serotonin
type: SmallMolecule
cellular location: Cytosol
entity reference: Serotonin

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

Compound/PW C000031 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Ascorbic acid
stoichiometric coefficient: 1.0

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

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

Reference/KEGG Compound C00082
type: UnificationXref
id: C00082
db: KEGG Compound

ReactionCatalysis1364
type: Catalysis
controller: Aromatic-L-amino-acid decarboxylase
controlled: 4.1.1.28
control type: ACTIVATION

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

ReactionCatalysis1363
type: Catalysis
controller: Tryptophan 5-hydroxylase 1
controlled: 1.14.16.4
control type: ACTIVATION

Reference/PathWhiz PW124082
type: UnificationXref
id: PW124082
db: PathWhiz

Reference/HMDB HMDB0001264
type: UnificationXref
id: HMDB0001264
db: HMDB

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

Cell Membrane
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0005886

Reference/PubChem-compound 6057
type: UnificationXref
id: 6057
db: PubChem-compound

Norepinephrine
type: SmallMolecule
cellular location: Cytosol
entity reference: Norepinephrine

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

L-Dopa
type: SmallMoleculeReference
xref: Reference/ChemSpider 5824
xref: Reference/CAS 59-92-7
xref: Reference/ChEBI CHEBI 15765
xref: Reference/HMDB HMDB0000181
xref: Reference/BioCyc L-DOPA
xref: Reference/KEGG Compound C00355
xref: Reference/PubChem-compound 6047
chemical formula: C9H11NO4
molecular weight: 197.0688
structure: ChemicalStructure/PW C000117

5-Hydroxy-L-tryptophan
type: SmallMoleculeReference
xref: Reference/ChemSpider 388413
xref: Reference/CAS 4350-09-8
xref: Reference/BioCyc 5-HYDROXY-TRYPTOPHAN
xref: Reference/ChEBI CHEBI 17780
xref: Reference/KEGG Compound C00643
xref: Reference/PubChem-compound 439280
xref: Reference/HMDB HMDB0000472
chemical formula: C11H12N2O3
molecular weight: 220.0848
structure: ChemicalStructure/PW C000358

Compound/PW C000052 Cell Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dopamine
stoichiometric coefficient: 1.0

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

Reference/PubChem-compound 446220
type: UnificationXref
id: 446220
db: PubChem-compound

Transport10878
type: Transport
participant stoichiometry: Compound/PW C000178 Exocytic Vesicle/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000178 Cytosol/Stoichiometry/1.0
right: Serotonin
spontaneous: false
left: Serotonin
name: Serotonin (→) Transport: Homo sapiens, Neuron, Cytosol to Homo sapiens, Cell, Exocytic Vesicle
conversion direction: LEFT_TO_RIGHT

Reference/KEGG Compound C00643
type: UnificationXref
id: C00643
db: KEGG Compound

Reference/ChEBI CHEBI 15372
type: UnificationXref
id: CHEBI:15372
db: ChEBI

Reference/ChEBI CHEBI 15374
type: UnificationXref
id: CHEBI:15374
db: ChEBI

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

Reference/BioCyc L-DEHYDRO-ASCORBATE
type: UnificationXref
id: L-DEHYDRO-ASCORBATE
db: BioCyc

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

Reference/CAS 490-83-5
type: UnificationXref
id: 490-83-5
db: CAS

Reference/HMDB HMDB0000181
type: UnificationXref
id: HMDB0000181
db: HMDB

Reference/ChEBI CHEBI 28790
type: UnificationXref
id: CHEBI:28790
db: ChEBI

ChemicalStructure/PW C009355
type: ChemicalStructure
structure format: SMILES

Compound/PW C000142 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Norepinephrine
stoichiometric coefficient: 1.0

ReactionCatalysis214
type: Catalysis
controller: Aromatic-L-amino-acid decarboxylase
controlled: 4.1.1.28
control type: ACTIVATION

Reference/ChemSpider 5824
type: UnificationXref
id: 5824
db: ChemSpider

Compound/PW C000117 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: L-Dopa
stoichiometric coefficient: 1.0

TransportCatalysis2111
type: Catalysis
controller: Synaptic vesicular amine transporter
controlled: Transport10950
control type: ACTIVATION

Reference/ChEBI CHEBI 29073
type: UnificationXref
id: CHEBI:29073
db: ChEBI

Sodium-dependent dopamine transporter
type: Protein
cellular location: Extracellular Space
entity reference: Sodium-dependent dopamine transporter

Reference/PubChem-compound 439260
type: UnificationXref
id: 439260
db: PubChem-compound

Transport10860
type: Transport
participant stoichiometry: Compound/PW C000458 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000178 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000458 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000178 Cytoplasm/Stoichiometry/1.0
right: Serotonin
right: Sodium
spontaneous: false
left: Sodium
left: Serotonin
name: Serotonin (→), Sodium (→) Transport: Homo sapiens, Neuron, Extracellular Space to Homo sapiens, Neuron, Cytoplasm
conversion direction: LEFT_TO_RIGHT

Reference/UniProt P23975
type: UnificationXref
id: P23975
db: UniProt

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

4a-Hydroxytetrahydrobiopterin
type: SmallMoleculeReference
xref: Reference/CAS 70110-58-6
xref: Reference/PubChem-compound 129803
xref: Reference/KEGG Compound C15522
xref: Reference/ChemSpider 114908
xref: Reference/HMDB HMDB0002281
xref: Reference/ChEBI CHEBI 15374
chemical formula: C9H15N5O4
molecular weight: 257.1124
structure: ChemicalStructure/PW C001541

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

Reference/HMDB HMDB0000073
type: UnificationXref
id: HMDB0000073
db: HMDB

TransportCatalysis2110
type: Catalysis
controller: Synaptic vesicular amine transporter
controlled: Transport10949
control type: ACTIVATION

Dopamine beta-hydroxylase
type: Protein
cellular location: Cytosol
entity reference: Dopamine beta-hydroxylase

Sodium-dependent dopamine transporter
type: Protein
cellular location: Cell Membrane
entity reference: Sodium-dependent dopamine transporter

Reference/KEGG Compound C00547
type: UnificationXref
id: C00547
db: KEGG Compound

Reference/ChEBI CHEBI 17895
type: UnificationXref
id: CHEBI:17895
db: ChEBI

Reference/KEGG Compound C00425
type: UnificationXref
id: C00425
db: KEGG Compound

Interaction3151
type: MolecularInteraction
interaction type: direct_interaction
name: Serotonin activates 5-hydroxytryptamine receptor 1A
participant: 5-hydroxytryptamine receptor 1A
participant: Serotonin

TransportCatalysis2129
type: Catalysis
controller: Multidrug resistance protein 1
controlled: Transport10973
control type: ACTIVATION

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

Sodium
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0000588
xref: Reference/PubChem-compound 923
xref: Reference/KEGG Compound C01330
xref: Reference/ChEBI CHEBI 29101
xref: Reference/ChemSpider 899
xref: Reference/CAS 17341-25-2
chemical formula: Na
molecular weight: 22.989769
structure: ChemicalStructure/PW C000458

Multidrug resistance protein 1
type: ProteinReference
xref: Reference/UniProt P08183

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

5-Hydroxy-L-tryptophan
type: SmallMolecule
cellular location: Cytosol
entity reference: 5-Hydroxy-L-tryptophan

Reference/ChemSpider 5013
type: UnificationXref
id: 5013
db: ChemSpider

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

Reference/KEGG Compound C00780
type: UnificationXref
id: C00780
db: KEGG Compound

Transport10855
type: Transport
participant stoichiometry: Compound/PW C000142 Exocytic Vesicle/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000142 Extracellular Space/Stoichiometry/1.0
right: Norepinephrine
spontaneous: true
left: Norepinephrine
name: Norepinephrine (→) Transport: Homo sapiens, Cell, Exocytic Vesicle to Homo sapiens, Neuron, Extracellular Space
conversion direction: REVERSIBLE

Transport10973
type: Transport
participant stoichiometry: Compound/PW C009355 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009355/Stoichiometry/1.0
right: Cocaine
spontaneous: false
left: Cocaine
name: Cocaine (→) Transport: Homo sapiens, Blood Vessel to Homo sapiens, Brain, Extracellular Space
conversion direction: LEFT_TO_RIGHT

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

4.1.1.28
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000117 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001316 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000052 Cytosol/Stoichiometry/1.0
right: Carbon dioxide
right: Dopamine
spontaneous: false
EC number: 4.1.1.28
left: L-Dopa
name: L-Dopa → Carbon dioxide + Dopamine
conversion direction: LEFT_TO_RIGHT

Reference/UniProt P08908
type: UnificationXref
id: P08908
db: UniProt

Dopamine
type: SmallMolecule
cellular location: Cell Membrane
entity reference: Dopamine

ReactionCatalysis118
type: Catalysis
controller: Dopamine beta-hydroxylase
controlled: 1.14.17.1
control type: ACTIVATION

ReactionCatalysis115
type: Catalysis
controller: Tyrosine 3-monooxygenase
controlled: 1.14.16.2
control type: ACTIVATION

Aromatic-L-amino-acid decarboxylase
type: Protein
cellular location: Cytosol
entity reference: Aromatic-L-amino-acid decarboxylase