Cotinine
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0001046
xref: Reference/CAS 486-56-6
xref: Reference/BioCyc CPD-2742
xref: Reference/ChemSpider 395
xref: Reference/ChEBI CHEBI 127762
xref: Reference/PubChem-compound 408
chemical formula: C10H12N2O
molecular weight: 176.09496
structure: ChemicalStructure/PW C000824

Reference/ChemSpider 8395266
type: UnificationXref
id: 8395266
db: ChemSpider

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

Reference/CAS 7722-84-1
type: UnificationXref
id: 7722-84-1
db: CAS

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

Reference/HMDB HMDB0003125
type: UnificationXref
id: HMDB0003125
db: HMDB

Norcotinine
type: SmallMoleculeReference
xref: Reference/PubChem-compound 413
xref: Reference/ChemSpider 400
xref: Reference/CAS 17114-40-8
xref: Reference/BioCyc CPD-2749
xref: Reference/HMDB HMDB0001297
chemical formula: C9H10N2O
molecular weight: 162.07932
structure: ChemicalStructure/PW C001001

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

ChemicalStructure/PW C008731
type: ChemicalStructure
structure format: SMILES
structure data: CN1CCC[C@H]1C1=CN=CC=C1

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

ChemicalStructure/PW C001783
type: ChemicalStructure
structure format: SMILES
structure data: OO

Compound/PW C001075 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Hydroxycotinine
stoichiometric coefficient: 1.0

Reference/CAS 61192-50-5
type: UnificationXref
id: 61192-50-5
db: CAS

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

Reference/CAS 2616-64-0
type: UnificationXref
id: 2616-64-0
db: CAS

Cytochrome P450 2B6
type: ProteinReference
xref: Reference/UniProt P20813
organism: BiologicalState10

NADPH
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: NADPH

Reference/BioCyc CPD-3186
type: UnificationXref
id: CPD-3186
db: BioCyc

Reference/BioCyc CPD-3185
type: UnificationXref
id: CPD-3185
db: BioCyc

Uridine diphosphate glucuronic acid
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Uridine diphosphate glucuronic acid

Neuronal acetylcholine receptor subunit alpha-3
type: Protein
cellular location: Cell Membrane
entity reference: Neuronal acetylcholine receptor subunit alpha-3

Compound/PW C000146 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADPH
stoichiometric coefficient: 1.0

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

Reference/PathWhiz PW000604
type: UnificationXref
id: PW000604
db: PathWhiz

Dimethylaniline monooxygenase [N-oxide-forming] 3
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Dimethylaniline monooxygenase [N-oxide-forming] 3

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

Reference/UniProt P32297
type: UnificationXref
id: P32297
db: UniProt

Compound/PW C000799 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Nicotine imine
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 17688
type: UnificationXref
id: CHEBI:17688
db: ChEBI

Cotinine glucuronide
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Cotinine glucuronide

Cotinine glucuronide
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0001013
xref: Reference/CAS 139427-57-9
xref: Reference/PubChem-compound 3398121
xref: Reference/ChemSpider 2642613
xref: Reference/BioCyc CPD-2747
chemical formula: C16H20N2O7
molecular weight: 352.12704
structure: ChemicalStructure/PW C000801

Compound/PW C000880/Stoichiometry/1.0
type: Stoichiometry
physical entity: Nornicotine
stoichiometric coefficient: 1.0

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

Cytochrome P450 2A6
type: ProteinReference
xref: Reference/UniProt P11509
organism: BiologicalState10

Reference/BRENDA TISSUE ONTOLOGY BTO 0000759
type: UnificationXref
id: BTO:0000759
db: BRENDA TISSUE ONTOLOGY

Compound/PW C000939/Stoichiometry/1.0
type: Stoichiometry
physical entity: trans-3-Hydroxycotinine glucuronide
stoichiometric coefficient: 1.0

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

Reference/ChEBI CHEBI 17200
type: UnificationXref
id: CHEBI:17200
db: ChEBI

Compound/PW C001065 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Oxygen
stoichiometric coefficient: 1.0

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

Hydrogen Ion
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Hydrogen Ion

ChemicalStructure/PW C001089
type: ChemicalStructure
structure format: SMILES
structure data: CN1[C@@H](CCC1=O)C1=C[N+]([O-])=CC=C1

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

Norcotinine
type: SmallMolecule
entity reference: Norcotinine

Dimethylaniline monooxygenase [N-oxide-forming] 3
type: ProteinReference
xref: Reference/UniProt P31513
organism: BiologicalState10

Reference/ChemSpider 396
type: UnificationXref
id: 396
db: ChemSpider

Formaldehyde
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 16842
xref: Reference/BioCyc FORMALDEHYDE
xref: Reference/HMDB HMDB0001426
xref: Reference/PubChem-compound 712
xref: Reference/ChemSpider 692
xref: Reference/KEGG Compound C00067
xref: Reference/CAS 50-00-0
chemical formula: CH2O
molecular weight: 30.010565
structure: ChemicalStructure/PW C001102

Neuronal acetylcholine receptor subunit beta-2
type: Protein
cellular location: Cell Membrane
entity reference: Neuronal acetylcholine receptor subunit beta-2

Reference/ChemSpider 395
type: UnificationXref
id: 395
db: ChemSpider

5'-Hydroxycotinine
type: SmallMoleculeReference
xref: Reference/BioCyc CPD-2751
xref: Reference/HMDB HMDB0001427
xref: Reference/PubChem-compound 9815515
xref: Reference/ChemSpider 7991265
xref: Reference/CAS 61192-50-5
chemical formula: C10H12N2O2
molecular weight: 192.08987
structure: ChemicalStructure/PW C001103

Compound/PW C001102 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Formaldehyde
stoichiometric coefficient: 1.0

Reference/CAS 54-11-5
type: UnificationXref
id: 54-11-5
db: CAS

Nicotine activation of Nicotinic Acetylcholine Receptor
type: Pathway
name: ActivatingSubPathway

Nicotine activation of Neuronal acetylcholine receptor 2
type: Pathway
name: ActivatingSubPathway

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

Reference/ChemSpider 7991264
type: UnificationXref
id: 7991264
db: ChemSpider

Reference/BioCyc UDP-GLUCURONATE
type: UnificationXref
id: UDP-GLUCURONATE
db: BioCyc

Reference/PubChem-compound 6031
type: UnificationXref
id: 6031
db: PubChem-compound

Compound/PW C000824 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cotinine
stoichiometric coefficient: 1.0

Compound/PW C001089/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cotinine N-oxide
stoichiometric coefficient: 1.0

ChemicalStructure/PW C000799
type: ChemicalStructure
structure format: SMILES
structure data: C[N+]1=CCCC1C1=CC=CN=C1

Reference/ChEBI CHEBI 16240
type: UnificationXref
id: CHEBI:16240
db: ChEBI

trans-3-Hydroxycotinine glucuronide
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0001204
xref: Reference/BioCyc CPD-2752
xref: Reference/PubChem-compound 53477725
xref: Reference/CAS 132929-88-5
chemical formula: C16H20N2O8
molecular weight: 368.12198
structure: ChemicalStructure/PW C000939

Cotinine
type: SmallMolecule
entity reference: Cotinine

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

Reference/HMDB HMDB0001411
type: UnificationXref
id: HMDB0001411
db: HMDB

Reference/CAS 139427-57-9
type: UnificationXref
id: 139427-57-9
db: CAS

ChemicalStructure/PW C000201
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

Reference/ChemSpider 7991265
type: UnificationXref
id: 7991265
db: ChemSpider

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

Uridine diphosphate glucuronic acid
type: SmallMoleculeReference
xref: Reference/BioCyc UDP-GLUCURONATE
xref: Reference/CAS 2616-64-0
xref: Reference/PubChem-compound 17473
xref: Reference/HMDB HMDB0000935
xref: Reference/ChEBI CHEBI 17200
xref: Reference/ChemSpider 16522
xref: Reference/KEGG Compound C00167
chemical formula: C15H22N2O18P2
molecular weight: 580.0343
structure: ChemicalStructure/PW C000746

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

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

Nicotine glucuronide
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 63860
xref: Reference/BioCyc CPD-2744
xref: Reference/HMDB HMDB0001272
xref: Reference/CAS 152306-59-7
xref: Reference/PubChem-compound 3035848
xref: Reference/ChemSpider 2299987
chemical formula: C16H22N2O6
molecular weight: 338.1478
structure: ChemicalStructure/PW C000985

Reference/CAS 494-97-3
type: UnificationXref
id: 494-97-3
db: CAS

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

Reference/CAS 152306-59-7
type: UnificationXref
id: 152306-59-7
db: CAS

ChemicalStructure/PW C000801
type: ChemicalStructure
structure format: SMILES
structure data: CN1C(CCC1=O)C1=C[N+](=CC=C1)C1OC(C(O)C(O)C1O)C([O-])=O

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

Reaction2021
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000824/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001089/Stoichiometry/1.0
right: Cotinine N-oxide
spontaneous: false
left: Cotinine
name: Cotinine → Cotinine N-oxide
conversion direction: LEFT_TO_RIGHT

UDP-glucuronosyltransferase 1-9
type: ProteinReference
xref: Reference/UniProt O60656
organism: BiologicalState10

Reaction2022
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000824/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001103/Stoichiometry/1.0
right: 5'-Hydroxycotinine
spontaneous: false
left: Cotinine
name: Cotinine → 5'-Hydroxycotinine
conversion direction: LEFT_TO_RIGHT

UDP-glucuronosyltransferase 1-4
type: ProteinReference
xref: Reference/UniProt P22310
organism: BiologicalState10

Reference/UniProt P17787
type: UnificationXref
id: P17787
db: UniProt

Reaction2020
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000939/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001075/Stoichiometry/1.0
right: trans-3-Hydroxycotinine glucuronide
spontaneous: false
left: Hydroxycotinine
name: Hydroxycotinine → trans-3-Hydroxycotinine glucuronide
conversion direction: LEFT_TO_RIGHT

ChemicalStructure/PW C001103
type: ChemicalStructure
structure format: SMILES
structure data: CN1C(=O)CC[C@@]1(O)C1=CN=CC=C1

Reference/HMDB HMDB0001427
type: UnificationXref
id: HMDB0001427
db: HMDB

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

ChemicalStructure/PW C001102
type: ChemicalStructure
structure format: SMILES
structure data: C=O

Reference/HMDB HMDB0001426
type: UnificationXref
id: HMDB0001426
db: HMDB

Reference/ChemSpider 692
type: UnificationXref
id: 692
db: ChemSpider

Reference/ChEBI CHEBI 127762
type: UnificationXref
id: CHEBI:127762
db: ChEBI

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

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

Reference/CAS 132929-88-5
type: UnificationXref
id: 132929-88-5
db: CAS

BiologicalState73
type: BioSource
cell type: Neuron
xref: Reference/TAXONOMY 9606
name: Homo sapiens, Neuron

Hydroxycotinine
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Hydroxycotinine

Protein/5734 Cell Membrane/Stoichiometry/2.0
type: Stoichiometry
physical entity: Neuronal acetylcholine receptor subunit alpha-4
stoichiometric coefficient: 2.0

Nicotine-1'-N-oxide
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Nicotine-1'-N-oxide

NADH
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: NADH

ChemicalStructure/PW C000939
type: ChemicalStructure
structure format: SMILES

Compound/PW C000799 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Nicotine imine
stoichiometric coefficient: 1.0

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

Oxygen
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Oxygen

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

Protein/5733 Cell Membrane/Stoichiometry/2.0
type: Stoichiometry
physical entity: Neuronal acetylcholine receptor subunit beta-2
stoichiometric coefficient: 2.0

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

Formaldehyde
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Formaldehyde

Reference/ChemSpider 2642613
type: UnificationXref
id: 2642613
db: ChemSpider

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

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

Nicotine imine
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Nicotine imine

Reference/PubChem-compound 431
type: UnificationXref
id: 431
db: PubChem-compound

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

Compound/PW C001154 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Nicotine-1'-N-oxide
stoichiometric coefficient: 1.0

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

Liver
type: TissueVocabulary
xref: Reference/BRENDA TISSUE ONTOLOGY BTO 0000759

ChemicalStructure/PW C000143
type: ChemicalStructure
structure format: SMILES

2.4.1.17
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000201 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000746 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C008731 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000985 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
right: Nicotine glucuronide
right: Uridine 5'-diphosphate
spontaneous: false
EC number: 2.4.1.17
left: Nicotine
left: Uridine diphosphate glucuronic acid
name: Nicotine + Uridine diphosphate glucuronic acid → Nicotine glucuronide + Uridine 5'-diphosphate
conversion direction: LEFT_TO_RIGHT

Reaction2013
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000880/Stoichiometry/1.0
participant stoichiometry: Compound/PW C008731/Stoichiometry/1.0
right: Nornicotine
spontaneous: false
left: Nicotine
name: Nicotine → Nornicotine
conversion direction: LEFT_TO_RIGHT

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

Reaction2011
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000146 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C008731 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001065 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001154 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000143 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
right: Water
right: Nicotine-1'-N-oxide
right: NADP
spontaneous: false
left: Nicotine
left: Oxygen
left: NADPH
left: Hydrogen Ion
name: Hydrogen Ion + NADPH + Nicotine + Oxygen → NADP + Nicotine-1'-N-oxide + Water
conversion direction: LEFT_TO_RIGHT

Compound/PW C000824 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cotinine
stoichiometric coefficient: 1.0

ChemicalStructure/PW C000146
type: ChemicalStructure
structure format: SMILES

Nornicotine
type: SmallMolecule
entity reference: Nornicotine

Reference/PubChem-compound 17473
type: UnificationXref
id: 17473
db: PubChem-compound

1.14.13.-
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000721 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000824 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001001 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001102 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001065 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
right: Norcotinine
right: Water
right: Formaldehyde
right: NAD
spontaneous: false
EC number: 1.14.13.-
left: Cotinine
left: NADH
left: Oxygen
name: Cotinine + NADH + Oxygen → Formaldehyde + NAD + Norcotinine + Water
conversion direction: LEFT_TO_RIGHT

Nornicotine
type: SmallMoleculeReference
xref: Reference/PubChem-compound 412
xref: Reference/ChEBI CHEBI 28313
xref: Reference/HMDB HMDB0001126
xref: Reference/ChemSpider 21108497
xref: Reference/CAS 494-97-3
xref: Reference/BioCyc CPD-2748
xref: Reference/KEGG Compound C06524
chemical formula: C9H12N2
molecular weight: 148.10005
structure: ChemicalStructure/PW C000880

1.14.13.-
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000824 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000146 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001075 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001065 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000143 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
right: Water
right: Hydroxycotinine
right: NADP
spontaneous: false
EC number: 1.14.13.-
left: Cotinine
left: Oxygen
left: NADPH
left: Hydrogen Ion
name: Cotinine + Hydrogen Ion + NADPH + Oxygen → Hydroxycotinine + NADP + Water
conversion direction: LEFT_TO_RIGHT

Reaction2016
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000880/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001001/Stoichiometry/1.0
right: Norcotinine
spontaneous: false
left: Nornicotine
name: Nornicotine → Norcotinine
conversion direction: LEFT_TO_RIGHT

2.4.1.17
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000201 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000824 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000746 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000801 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
right: Cotinine glucuronide
right: Uridine 5'-diphosphate
spontaneous: false
EC number: 2.4.1.17
left: Cotinine
left: Uridine diphosphate glucuronic acid
name: Cotinine + Uridine diphosphate glucuronic acid → Cotinine glucuronide + Uridine 5'-diphosphate
conversion direction: LEFT_TO_RIGHT

1.14.13.-
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000799 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C008731 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
right: Nicotine imine
right: Hydrogen Ion
spontaneous: false
EC number: 1.14.13.-
left: Nicotine
name: Nicotine → Hydrogen Ion + Nicotine imine
conversion direction: LEFT_TO_RIGHT

Reaction2015
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001783 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000824 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 C001420 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000799 Cytoplasm/Stoichiometry/1.0
right: Hydrogen Ion
right: Hydrogen peroxide
right: Cotinine
spontaneous: false
left: Oxygen
left: Water
left: Nicotine imine
name: Nicotine imine + Oxygen + Water → Cotinine + Hydrogen Ion + Hydrogen peroxide
conversion direction: LEFT_TO_RIGHT

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

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

Reference/SMPDB SMP0000628
type: UnificationXref
id: SMP0000628
db: SMPDB

Reference/UniProt P31513
type: UnificationXref
id: P31513
db: UniProt

Reference/BioCyc CPD-2743
type: UnificationXref
id: CPD-2743
db: BioCyc

Reference/BioCyc CPD-2744
type: UnificationXref
id: CPD-2744
db: BioCyc

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

Neuronal acetylcholine receptor subunit alpha-4
type: ProteinReference
xref: Reference/UniProt P43681
organism: BiologicalState73

Reference/BioCyc CPD-2742
type: UnificationXref
id: CPD-2742
db: BioCyc

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

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

Neuronal acetylcholine receptor subunit beta-2
type: ProteinReference
xref: Reference/UniProt P17787
organism: BiologicalState73

Compound/PW C001001/Stoichiometry/1.0
type: Stoichiometry
physical entity: Norcotinine
stoichiometric coefficient: 1.0

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

Reference/KEGG Compound C00015
type: UnificationXref
id: C00015
db: KEGG Compound

Compound/PW C000824/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cotinine
stoichiometric coefficient: 1.0

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

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

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/HMDB HMDB0001204
type: UnificationXref
id: HMDB0001204
db: HMDB

Aldehyde oxidase
type: ProteinReference
xref: Reference/UniProt Q06278
organism: BiologicalState10

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

Compound/PW C001075/Stoichiometry/1.0
type: Stoichiometry
physical entity: Hydroxycotinine
stoichiometric coefficient: 1.0

Reference/BioCyc CPD-2747
type: UnificationXref
id: CPD-2747
db: BioCyc

Reference/BioCyc CPD-2748
type: UnificationXref
id: CPD-2748
db: BioCyc

Reference/BioCyc CPD-2749
type: UnificationXref
id: CPD-2749
db: BioCyc

Cytochrome P450 2B6
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Cytochrome P450 2B6

Compound/PW C000143 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADP
stoichiometric coefficient: 1.0

Reference/BRENDA TISSUE ONTOLOGY BTO 0000049
type: UnificationXref
id: BTO:0000049
db: BRENDA TISSUE ONTOLOGY

Reference/BioCyc CPD-2750
type: UnificationXref
id: CPD-2750
db: BioCyc

Reference/BioCyc CPD-2751
type: UnificationXref
id: CPD-2751
db: BioCyc

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 16842
type: UnificationXref
id: CHEBI:16842
db: ChEBI

Neuronal acetylcholine receptor subunit alpha-3
type: ProteinReference
xref: Reference/UniProt P32297
organism: BiologicalState24

Reference/BioCyc CPD-2752
type: UnificationXref
id: CPD-2752
db: BioCyc

Reference/PubChem-compound 89594
type: UnificationXref
id: 89594
db: PubChem-compound

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

Reference/KEGG Compound C00027
type: UnificationXref
id: C00027
db: KEGG Compound

Nicotine-1'-N-oxide
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0001497
xref: Reference/BioCyc CPD-2743
xref: Reference/ChEBI CHEBI 30734
xref: Reference/ChemSpider 396
xref: Reference/PubChem-compound 409
xref: Reference/CAS 63551-14-4
chemical formula: C10H14N2O
molecular weight: 178.11061
structure: ChemicalStructure/PW C001154

Cytochrome P450 2A6
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Cytochrome P450 2A6

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

Reference/PubChem-compound 3035848
type: UnificationXref
id: 3035848
db: PubChem-compound

BiologicalState24
type: BioSource
xref: Reference/TAXONOMY 9606
name: Homo sapiens, Adrenal Medulla
tissue: Adrenal Medulla

Endoplasmic Reticulum Membrane
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0005789

ChemicalStructure/PW C000721
type: ChemicalStructure
structure format: SMILES

Reference/ChemSpider 418
type: UnificationXref
id: 418
db: ChemSpider

Reference/ChemSpider 2299987
type: UnificationXref
id: 2299987
db: ChemSpider

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

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

ChemicalStructure/PW C001144
type: ChemicalStructure
structure format: SMILES

Cotinine N-oxide
type: SmallMoleculeReference
xref: Reference/CAS 36508-80-2
xref: Reference/HMDB HMDB0001411
xref: Reference/ChemSpider 7991264
xref: Reference/PubChem-compound 9815514
xref: Reference/BioCyc CPD-3185
chemical formula: C10H12N2O2
molecular weight: 192.08987
structure: ChemicalStructure/PW C001089

Reference/UniProt O60656
type: UnificationXref
id: O60656
db: UniProt

Nicotine
type: SmallMolecule
entity reference: Nicotine
name: SubPathwayActivator

Reference/BioCyc HYDROGEN-PEROXIDE
type: UnificationXref
id: HYDROGEN-PEROXIDE
db: BioCyc

Reference/PubChem-compound 409
type: UnificationXref
id: 409
db: PubChem-compound

Protein/5747 Cell Membrane/Stoichiometry/2.0
type: Stoichiometry
physical entity: Neuronal acetylcholine receptor subunit alpha-3
stoichiometric coefficient: 2.0

Nicotine imine
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Nicotine imine

Reference/CAS 34834-67-8
type: UnificationXref
id: 34834-67-8
db: CAS

Reference/PubChem-compound 408
type: UnificationXref
id: 408
db: PubChem-compound

Cotinine
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Cotinine

UDP-glucuronosyltransferase 1-4
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: UDP-glucuronosyltransferase 1-4

Reference/CAS 74710-78-4
type: UnificationXref
id: 74710-78-4
db: CAS

Nicotine imine
type: SmallMoleculeReference
xref: Reference/CAS 74710-78-4
xref: Reference/ChemSpider 418
xref: Reference/HMDB HMDB0001010
xref: Reference/BioCyc CPD-3186
xref: Reference/PubChem-compound 431
chemical formula: C10H13N2
molecular weight: 161.10788
structure: ChemicalStructure/PW C000799

SubPathwayControl532
type: Interaction
name: SubPathway532Control
name: ActivatingSubPathwayControl
participant: Nicotinic Acetylcholine Receptor
participant: Nicotine
participant: Nicotine activation of Nicotinic Acetylcholine Receptor

SubPathwayControl533
type: Interaction
name: SubPathway533Control
name: ActivatingSubPathwayControl
participant: Nicotine
participant: Neuronal acetylcholine receptor 2
participant: Nicotine activation of Neuronal acetylcholine receptor 2

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

Reference/HMDB HMDB0000935
type: UnificationXref
id: HMDB0000935
db: HMDB

Compound/PW C008731 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Nicotine
stoichiometric coefficient: 1.0

Reference/KEGG Compound C00167
type: UnificationXref
id: C00167
db: KEGG Compound

ChemicalStructure/PW C001154
type: ChemicalStructure
structure format: SMILES
structure data: C[N+]1([O-])CCCC1C1=CN=CC=C1

Reference/ChemSpider 400
type: UnificationXref
id: 400
db: ChemSpider

Reference/ChemSpider 763
type: UnificationXref
id: 763
db: ChemSpider

NAD
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: NAD

Uridine 5'-diphosphate
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 17659
xref: Reference/PubChem-compound 6031
xref: Reference/CAS 58-98-0
xref: Reference/HMDB HMDB0000295
xref: Reference/KEGG Compound C00015
xref: Reference/ChemSpider 5809
xref: Reference/BioCyc UDP
chemical formula: C9H14N2O12P2
molecular weight: 404.0022
structure: ChemicalStructure/PW C000201

Reference/CAS 17114-40-8
type: UnificationXref
id: 17114-40-8
db: CAS

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

Reference/PubChem-compound 784
type: UnificationXref
id: 784
db: PubChem-compound

Reference/PubChem-compound 53477725
type: UnificationXref
id: 53477725
db: PubChem-compound

Nicotine glucuronide
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Nicotine glucuronide

Homo sapiens
type: BioSource
xref: Reference/TAXONOMY 9606

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

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

ChemicalStructure/PW C000824
type: ChemicalStructure
structure format: SMILES
structure data: CN1C(CCC1=O)C1=CN=CC=C1

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

ChemicalStructure/PW C001001
type: ChemicalStructure
structure format: SMILES
structure data: O=C1CCC(N1)C1=CN=CC=C1

Water
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Water

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

Cotinine N-oxide
type: SmallMolecule
entity reference: Cotinine N-oxide

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

Nicotinic Acetylcholine Receptor
type: Complex
component stoichiometry: Protein/5733 Cell Membrane/Stoichiometry/2.0
component stoichiometry: Protein/5734 Cell Membrane/Stoichiometry/2.0
cellular location: Cell Membrane
component: Neuronal acetylcholine receptor subunit alpha-4
component: Neuronal acetylcholine receptor subunit beta-2
name: SubPathwayActivation

Reference/HMDB HMDB0001126
type: UnificationXref
id: HMDB0001126
db: HMDB

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/GENE ONTOLOGY GO 0005789
type: UnificationXref
id: GO:0005789
db: GENE ONTOLOGY

ReactionCatalysis1869
type: Catalysis
controller: UDP-glucuronosyltransferase 1-4
controlled: 2.4.1.17
control type: ACTIVATION

ReactionCatalysis1868
type: Catalysis
controller: Dimethylaniline monooxygenase [N-oxide-forming] 3
controlled: Reaction2011
control type: ACTIVATION

Adrenal Medulla
type: TissueVocabulary
xref: Reference/BRENDA TISSUE ONTOLOGY BTO 0000049

Compound/PW C001001 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Norcotinine
stoichiometric coefficient: 1.0

Reference/ChemSpider 16522
type: UnificationXref
id: 16522
db: ChemSpider

Compound/PW C000985 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Nicotine glucuronide
stoichiometric coefficient: 1.0

Reference/PubChem-compound 412
type: UnificationXref
id: 412
db: PubChem-compound

Reference/KEGG Compound C00745
type: UnificationXref
id: C00745
db: KEGG Compound

Reference/PubChem-compound 413
type: UnificationXref
id: 413
db: PubChem-compound

BiologicalState10
type: BioSource
xref: Reference/TAXONOMY 9606
name: Homo sapiens, Liver
tissue: Liver

Reference/KEGG Compound C00067
type: UnificationXref
id: C00067
db: KEGG Compound

Aldehyde oxidase
type: Protein
cellular location: Cytoplasm
entity reference: Aldehyde oxidase

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

Reference/PubChem-compound 10219774
type: UnificationXref
id: 10219774
db: PubChem-compound

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

ReactionCatalysis1874
type: Catalysis
controller: UDP-glucuronosyltransferase 1-4
controlled: 2.4.1.17
control type: ACTIVATION

Neuronal acetylcholine receptor subunit alpha-4
type: Protein
cellular location: Cell Membrane
entity reference: Neuronal acetylcholine receptor subunit alpha-4

Hydroxycotinine
type: SmallMoleculeReference
xref: Reference/BioCyc CPD-2750
xref: Reference/PubChem-compound 10219774
xref: Reference/ChemSpider 8395266
xref: Reference/HMDB HMDB0001390
xref: Reference/CAS 34834-67-8
chemical formula: C10H12N2O2
molecular weight: 192.08987
structure: ChemicalStructure/PW C001075

Reference/CAS 36508-80-2
type: UnificationXref
id: 36508-80-2
db: CAS

Reference/HMDB HMDB0001497
type: UnificationXref
id: HMDB0001497
db: HMDB

ReactionCatalysis1873
type: Catalysis
controller: Aldehyde oxidase
controlled: Reaction2015
control type: ACTIVATION

Reference/HMDB HMDB0001013
type: UnificationXref
id: HMDB0001013
db: HMDB

ReactionCatalysis1876
type: Catalysis
controller: Cytochrome P450 2A6
controlled: 1.14.13.-
control type: ACTIVATION

ReactionCatalysis1875
type: Catalysis
controller: UDP-glucuronosyltransferase 1-9
controlled: 2.4.1.17
control type: ACTIVATION

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

Reference/UniProt P22310
type: UnificationXref
id: P22310
db: UniProt

ReactionCatalysis1877
type: Catalysis
controller: Cytochrome P450 2A6
controlled: 1.14.13.-
control type: ACTIVATION

Hydroxycotinine
type: SmallMolecule
entity reference: Hydroxycotinine

Compound/PW C000746 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Uridine diphosphate glucuronic acid
stoichiometric coefficient: 1.0

ReactionCatalysis1870
type: Catalysis
controller: UDP-glucuronosyltransferase 1-9
controlled: 2.4.1.17
control type: ACTIVATION

Reference/HMDB HMDB0001010
type: UnificationXref
id: HMDB0001010
db: HMDB

UDP-glucuronosyltransferase 1-9
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: UDP-glucuronosyltransferase 1-9

ReactionCatalysis1872
type: Catalysis
controller: Cytochrome P450 2B6
controlled: 1.14.13.-
control type: ACTIVATION

ReactionCatalysis1871
type: Catalysis
controller: Cytochrome P450 2A6
controlled: 1.14.13.-
control type: ACTIVATION

Reference/UniProt P20813
type: UnificationXref
id: P20813
db: UniProt

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

Nicotine
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Nicotine

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

Compound/PW C001783 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Hydrogen peroxide
stoichiometric coefficient: 1.0

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

Nicotine Metabolism Pathway
type: Pathway
pathway order: PathwaySubPathway/532
pathway order: PathwayEnzymeReaction/2572
pathway order: PathwayEnzymeReaction/2583
pathway order: PathwayEnzymeReaction/3463
pathway order: PathwayEnzymeReaction/3464
pathway order: PathwayEnzymeReaction/3465
pathway order: PathwayEnzymeReaction/3466
pathway order: PathwayEnzymeReaction/3470
pathway order: PathwayEnzymeReaction/3471
pathway order: PathwayEnzymeReaction/2581
pathway order: PathwaySubPathway/533
pathway order: PathwayEnzymeReaction/2582
pathway order: PathwayEnzymeReaction/3462
pathway order: PathwayEnzymeReaction/2576
pathway order: PathwayEnzymeReaction/3467
pathway order: PathwayEnzymeReaction/3468
pathway order: PathwayEnzymeReaction/3469
pathway component: SubPathwayControl532
pathway component: SubPathwayControl533
pathway component: 2.4.1.17
pathway component: ReactionCatalysis1874
pathway component: Reaction2013
pathway component: ReactionCatalysis1873
pathway component: Reaction2021
pathway component: ReactionCatalysis1876
pathway component: Reaction2022
pathway component: Reaction2011
pathway component: ReactionCatalysis1875
pathway component: Reaction2020
pathway component: ReactionCatalysis1877
pathway component: ReactionCatalysis1869
pathway component: ReactionCatalysis1868
pathway component: 1.14.13.-
pathway component: Reaction2016
pathway component: ReactionCatalysis1870
pathway component: ReactionCatalysis1872
pathway component: ReactionCatalysis1871
pathway component: Reaction2015
xref: Reference/SMPDB SMP0000628
xref: Reference/PathWhiz PW000604
organism: Homo sapiens

trans-3-Hydroxycotinine glucuronide
type: SmallMolecule
entity reference: trans-3-Hydroxycotinine glucuronide

Reference/CAS 58-98-0
type: UnificationXref
id: 58-98-0
db: CAS

Reference/HMDB HMDB0001934
type: UnificationXref
id: HMDB0001934
db: HMDB

5'-Hydroxycotinine
type: SmallMolecule
entity reference: 5'-Hydroxycotinine

Compound/PW C040034 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Hydrogen Ion
stoichiometric coefficient: 1.0

Reference/UniProt P43681
type: UnificationXref
id: P43681
db: UniProt

Compound/PW C008731/Stoichiometry/1.0
type: Stoichiometry
physical entity: Nicotine
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

Compound/PW C000201 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Uridine 5'-diphosphate
stoichiometric coefficient: 1.0

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

Compound/PW C000801 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cotinine glucuronide
stoichiometric coefficient: 1.0

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

Reference/HMDB HMDB0000295
type: UnificationXref
id: HMDB0000295
db: HMDB

Reference/ChemSpider 5809
type: UnificationXref
id: 5809
db: ChemSpider

Compound/PW C001103/Stoichiometry/1.0
type: Stoichiometry
physical entity: 5'-Hydroxycotinine
stoichiometric coefficient: 1.0

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

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

Reference/ChemSpider 80863
type: UnificationXref
id: 80863
db: ChemSpider

Reference/ChEBI CHEBI 15379
type: UnificationXref
id: CHEBI:15379
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 712
type: UnificationXref
id: 712
db: PubChem-compound

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

Reference/UniProt Q06278
type: UnificationXref
id: Q06278
db: UniProt

Reference/ChEBI CHEBI 28313
type: UnificationXref
id: CHEBI:28313
db: ChEBI

ChemicalStructure/PW C001075
type: ChemicalStructure
structure format: SMILES
structure data: CN1[C@@H](CC(O)C1=O)C1=CN=CC=C1

Reference/ChemSpider 21108497
type: UnificationXref
id: 21108497
db: ChemSpider

Reference/PubChem-compound 9815514
type: UnificationXref
id: 9815514
db: PubChem-compound

Reference/PubChem-compound 9815515
type: UnificationXref
id: 9815515
db: PubChem-compound

Reference/HMDB HMDB0001390
type: UnificationXref
id: HMDB0001390
db: HMDB

Reference/CAS 63551-14-4
type: UnificationXref
id: 63551-14-4
db: CAS

Reference/HMDB HMDB0001272
type: UnificationXref
id: HMDB0001272
db: HMDB

Reference/ChEBI CHEBI 63860
type: UnificationXref
id: CHEBI:63860
db: ChEBI

Reference/CAS 486-56-6
type: UnificationXref
id: 486-56-6
db: CAS

ChemicalStructure/PW C000985
type: ChemicalStructure
structure format: SMILES

Reference/UniProt P11509
type: UnificationXref
id: P11509
db: UniProt

ChemicalStructure/PW C000746
type: ChemicalStructure
structure format: SMILES

Reference/HMDB HMDB0001046
type: UnificationXref
id: HMDB0001046
db: HMDB

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

Nicotine
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 17688
xref: Reference/KEGG Compound C00745
xref: Reference/BioCyc NICOTINE
xref: Reference/ChemSpider 80863
xref: Reference/HMDB HMDB0001934
xref: Reference/PubChem-compound 89594
xref: Reference/CAS 54-11-5
chemical formula: C10H14N2
molecular weight: 162.11569
structure: ChemicalStructure/PW C008731

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

Hydrogen peroxide
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0003125
xref: Reference/PubChem-compound 784
xref: Reference/ChemSpider 763
xref: Reference/CAS 7722-84-1
xref: Reference/BioCyc HYDROGEN-PEROXIDE
xref: Reference/ChEBI CHEBI 16240
xref: Reference/KEGG Compound C00027
chemical formula: H2O2
molecular weight: 34.005478
structure: ChemicalStructure/PW C001783

Reference/ChEBI CHEBI 30734
type: UnificationXref
id: CHEBI:30734
db: ChEBI

Uridine 5'-diphosphate
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Uridine 5'-diphosphate

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

NADP
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: NADP

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

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

Reference/ChEBI CHEBI 17659
type: UnificationXref
id: CHEBI:17659
db: ChEBI

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

Reference/PubChem-compound 3398121
type: UnificationXref
id: 3398121
db: PubChem-compound

Reference/CAS 50-00-0
type: UnificationXref
id: 50-00-0
db: CAS

Reference/KEGG Compound C06524
type: UnificationXref
id: C06524
db: KEGG Compound

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

ChemicalStructure/PW C000880
type: ChemicalStructure
structure format: SMILES
structure data: C1CNC(C1)C1=CC=CN=C1

Norcotinine
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Norcotinine

Neuronal acetylcholine receptor 2
type: Complex
component stoichiometry: Protein/5733 Cell Membrane/Stoichiometry/2.0
component stoichiometry: Protein/5747 Cell Membrane/Stoichiometry/2.0
cellular location: Cell Membrane
component: Neuronal acetylcholine receptor subunit alpha-3
component: Neuronal acetylcholine receptor subunit beta-2
name: SubPathwayActivation

Reference/HMDB HMDB0001297
type: UnificationXref
id: HMDB0001297
db: HMDB