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

Compound/PW C001420 Endoplasmic Reticulum Membrane/Stoichiometry/4.0
type: Stoichiometry
physical entity: Water
stoichiometric coefficient: 4.0

ATP-dependent translocase ABCB1
type: ProteinReference
xref: Reference/UniProt P08183

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

Cytochrome P450 2E1
type: ProteinReference
xref: Reference/UniProt P05181
organism: BiologicalState973

direct_interaction
type: InteractionVocabulary

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

Cytochrome P450 3A4
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Cytochrome P450 3A4

TransportCatalysis5000
type: Catalysis
controller: ATP-dependent translocase ABCB1
controlled: Transport14024
control type: ACTIVATION

TransportCatalysis5001
type: Catalysis
controller: ATP-dependent translocase ABCB1
controlled: Transport14025
control type: ACTIVATION

Cytochrome P450 3A7
type: ProteinReference
xref: Reference/UniProt P24462
organism: BiologicalState973

Lanosterol 14-alpha demethylase
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Lanosterol 14-alpha demethylase

Cytochrome P450 3A4
type: ProteinReference
xref: Reference/UniProt P08684
organism: BiologicalState973

Cytochrome P450 2B6
type: ProteinReference
xref: Reference/UniProt P20813
organism: BiologicalState973

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

Cytochrome P450 3A5
type: ProteinReference
xref: Reference/UniProt P20815
organism: BiologicalState973

Reference/PathWhiz PW000050
type: UnificationXref
id: PW000050
db: PathWhiz

Reference/UniProt O15438
type: UnificationXref
id: O15438
db: UniProt

Reference/PathWhiz PW126637
type: UnificationXref
id: PW126637
db: PathWhiz

Reference/PathWhiz PW126636
type: UnificationXref
id: PW126636
db: PathWhiz

SubPathwayInteraction117578
type: Interaction
name: SubPathway117578Reaction
name: SubPathwayReaction
participant: 4,4-Dimethylcholesta-8,14,24-trienol

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

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

Reference/KEGG Compound C11455
type: UnificationXref
id: C11455
db: KEGG Compound

Reference/CELL TYPE ONTOLOGY CL 0000182
type: UnificationXref
id: CL:0000182
db: CELL TYPE ONTOLOGY

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

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

4,4-Dimethylcholesta-8,14,24-trienol
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 17813
xref: Reference/ChemSpider 391478
xref: Reference/BioCyc 44-DIMETHYL-CHOLESTA-812-24-TRIENOL
xref: Reference/CAS 64284-64-6
xref: Reference/PubChem-compound 443212
xref: Reference/HMDB HMDB0001023
xref: Reference/KEGG Compound C11455
chemical formula: C29H46O
molecular weight: 410.35486
structure: ChemicalStructure/PW C000809

Reference/UniProt P24462
type: UnificationXref
id: P24462
db: UniProt

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

Reference/ChEBI CHEBI 6076
type: UnificationXref
id: CHEBI:6076
db: ChEBI

ChemicalStructure/PW C112978
type: ChemicalStructure
structure format: SMILES

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

Reference/SMPDB SMP0125099
type: UnificationXref
id: SMP0125099
db: SMPDB

Reference/CAS 79-63-0
type: UnificationXref
id: 79-63-0
db: CAS

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

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

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

Compound/PW C000143 Endoplasmic Reticulum Membrane/Stoichiometry/3.0
type: Stoichiometry
physical entity: NADP
stoichiometric coefficient: 3.0

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

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

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

Cytochrome P450 3A7
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Cytochrome P450 3A7

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

ChemicalStructure/PW C000809
type: ChemicalStructure
structure format: SMILES

Itraconazole Pathway
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway117574
pathway component: SubPathwayInteraction117574
xref: Reference/PathWhiz PW126636
xref: Reference/SMPDB SMP0125099
name: SubPathway

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

Cytochrome P450 3A5
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Cytochrome P450 3A5

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

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

Compound/PW C009581/Stoichiometry/1.0
type: Stoichiometry
physical entity: Itraconazole
stoichiometric coefficient: 1.0

Itraconazole
type: SmallMolecule
entity reference: Itraconazole
name: SubPathwayInput

Reference/SMPDB SMP0125100
type: UnificationXref
id: SMP0125100
db: SMPDB

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

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

1.14.13.70
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000143 Endoplasmic Reticulum Membrane/Stoichiometry/3.0
participant stoichiometry: Compound/PW C000092 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000146 Endoplasmic Reticulum Membrane/Stoichiometry/3.0
participant stoichiometry: Compound/PW C001420 Endoplasmic Reticulum Membrane/Stoichiometry/4.0
participant stoichiometry: Compound/PW C000809 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000966 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001065 Endoplasmic Reticulum Membrane/Stoichiometry/3.0
right: Water
right: Formic acid
right: 4,4-Dimethylcholesta-8,14,24-trienol
right: NADP
spontaneous: false
EC number: 1.14.13.70
left: Lanosterol
left: Oxygen
left: NADPH
name: Lanosterol + 3 NADPH + 3 Oxygen → 4,4-Dimethylcholesta-8,14,24-trienol + Formic acid + 3 NADP + 4 Water
conversion direction: LEFT_TO_RIGHT

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

SubPathwayInteraction118078
type: Interaction
name: SubPathway118078Reaction
name: SubPathwayReaction
participant: Hydroxyitraconazole
participant: Itraconazole

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

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

ChemicalStructure/PW C000143
type: ChemicalStructure
structure format: SMILES

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

ChemicalStructure/PW C000146
type: ChemicalStructure
structure format: SMILES

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

Lanosterol
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 16521
xref: Reference/KEGG Compound C01724
xref: Reference/PubChem-compound 246983
xref: Reference/BioCyc LANOSTEROL
xref: Reference/HMDB HMDB0001251
xref: Reference/ChemSpider 216175
xref: Reference/CAS 79-63-0
chemical formula: C30H50O
molecular weight: 426.38617
structure: ChemicalStructure/PW C000966

Compound/PW C001065 Endoplasmic Reticulum Membrane/Stoichiometry/3.0
type: Stoichiometry
physical entity: Oxygen
stoichiometric coefficient: 3.0

SubPathwayInteraction117574
type: Interaction
name: SubPathwayReaction
name: SubPathway117574Reaction
participant: Itraconazole

Transport14025
type: Transport
participant stoichiometry: Compound/PW C009581 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009581/Stoichiometry/1.0
right: Itraconazole
spontaneous: false
left: Itraconazole
name: Itraconazole (→) Transport: Homo sapiens, Liver, Hepatocyte, Endoplasmic Reticulum Membrane to Homo sapiens, Blood Vessel
conversion direction: LEFT_TO_RIGHT

Transport14024
type: Transport
participant stoichiometry: Compound/PW C112978/Stoichiometry/1.0
participant stoichiometry: Compound/PW C112978 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
right: Hydroxyitraconazole
spontaneous: false
left: Hydroxyitraconazole
name: Hydroxyitraconazole (→) Transport: Homo sapiens, Liver, Hepatocyte, Endoplasmic Reticulum Membrane to Homo sapiens, Blood Vessel
conversion direction: LEFT_TO_RIGHT

Transport14021
type: Transport
participant stoichiometry: Compound/PW C009581/Stoichiometry/1.0
right: Itraconazole
spontaneous: true
left: Itraconazole
name: Itraconazole (→) Transport: Homo sapiens, Stomach to Homo sapiens, Intestine
conversion direction: REVERSIBLE

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

Cytochrome P450 2E1
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Cytochrome P450 2E1

1.14.13.-
type: BiochemicalReaction
participant stoichiometry: Compound/PW C009581 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000146 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C112978 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: Hydroxyitraconazole
right: NADP
right: Hydrogen Ion
spontaneous: false
EC number: 1.14.13.-
left: Oxygen
left: Itraconazole
left: NADPH
name: Itraconazole + NADPH + Oxygen → Hydrogen Ion + Hydroxyitraconazole + NADP + Water
conversion direction: LEFT_TO_RIGHT

Transport14023
type: Transport
participant stoichiometry: Compound/PW C009581 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009581/Stoichiometry/1.0
right: Itraconazole
spontaneous: false
left: Itraconazole
name: Itraconazole (→) Transport: Homo sapiens, Blood Vessel to Homo sapiens, Liver, Hepatocyte, Endoplasmic Reticulum Membrane
conversion direction: LEFT_TO_RIGHT

Transport14022
type: Transport
participant stoichiometry: Compound/PW C009581/Stoichiometry/1.0
right: Itraconazole
spontaneous: false
left: Itraconazole
name: Itraconazole (→) Transport: Homo sapiens, Intestine to Homo sapiens, Intestine, Epithelial Cell
conversion direction: LEFT_TO_RIGHT

Hepatocyte
type: CellVocabulary
xref: Reference/CELL TYPE ONTOLOGY CL 0000182

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/HMDB HMDB0061035
type: UnificationXref
id: HMDB0061035
db: HMDB

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 17813
type: UnificationXref
id: CHEBI:17813
db: ChEBI

Reference/PubChem-compound 443212
type: UnificationXref
id: 443212
db: PubChem-compound

Lanosterol 14-alpha demethylase
type: ProteinReference
xref: Reference/UniProt Q16850
organism: BiologicalState973

Reference/HMDB HMDB0015298
type: UnificationXref
id: HMDB0015298
db: HMDB

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

Steroid Biosynthesis
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway117578
pathway component: SubPathwayInteraction117578
xref: Reference/SMPDB SMP0000023
xref: Reference/PathWhiz PW000050
name: SubPathway

Reference/BioCyc 44-DIMETHYL-CHOLESTA-812-24-TRIENOL
type: UnificationXref
id: 44-DIMETHYL-CHOLESTA-812-24-TRIENOL
db: BioCyc

Canalicular multispecific organic anion transporter 2
type: Protein
entity reference: Canalicular multispecific organic anion transporter 2

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

ChemicalStructure/PW C000966
type: ChemicalStructure
structure format: SMILES

Renal and Fecal Excretion
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway118078
pathway component: SubPathwayInteraction118078
name: SubPathway

Itraconazole Metabolism
type: Pathway
pathway order: PathwayEnzymeReaction/2505876
pathway order: PathwayTransport/2505879
pathway order: PathwayInteraction/3949
pathway order: PathwayTransport/2505874
pathway order: PathwayTransport/2505871
pathway order: PathwayTransport/2510624
pathway order: PathwayEnzymeReaction/2510623
pathway order: PathwayTransport/2510625
pathway order: PathwayTransport/2505880
pathway order: PathwayInteraction/3955
pathway order: PathwaySubPathway/118078
pathway order: PathwayInteraction/3954
pathway order: PathwayInteraction/3953
pathway order: PathwayInteraction/3952
pathway order: PathwayInteraction/3951
pathway order: PathwaySubPathway/117574
pathway order: PathwaySubPathway/117578
pathway component: TransportCatalysis4999
pathway component: TransportCatalysis4998
pathway component: 1.14.13.70
pathway component: TransportCatalysis5302
pathway component: Itraconazole Pathway
pathway component: ReactionCatalysis207714
pathway component: Interaction3951
pathway component: Interaction3952
pathway component: Transport14025
pathway component: Steroid Biosynthesis
pathway component: Transport14024
pathway component: Interaction3949
pathway component: Transport14021
pathway component: Interaction3953
pathway component: 1.14.13.-
pathway component: Interaction3954
pathway component: Transport14023
pathway component: Interaction3955
pathway component: Transport14022
pathway component: Transport14451
pathway component: TransportCatalysis5000
pathway component: TransportCatalysis5001
pathway component: Renal and Fecal Excretion
pathway component: ReactionCatalysis566
xref: Reference/SMPDB SMP0125100
xref: Reference/PathWhiz PW126637
organism: Homo sapiens

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

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

Reference/ChemSpider 216175
type: UnificationXref
id: 216175
db: ChemSpider

Reference/ChemSpider 49927
type: UnificationXref
id: 49927
db: ChemSpider

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

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

Compound/PW C000092 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Formic acid
stoichiometric coefficient: 1.0

Compound/PW C112978/Stoichiometry/1.0
type: Stoichiometry
physical entity: Hydroxyitraconazole
stoichiometric coefficient: 1.0

TransportCatalysis5302
type: Catalysis
controller: Canalicular multispecific organic anion transporter 2
controlled: Transport14451
control type: ACTIVATION

Homo sapiens
type: BioSource
xref: Reference/TAXONOMY 9606

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

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

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

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

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

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

Reference/UniProt P46059
type: UnificationXref
id: P46059
db: UniProt

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

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

Reference/SMPDB SMP0000023
type: UnificationXref
id: SMP0000023
db: SMPDB

Itraconazole
type: SmallMoleculeReference
xref: Reference/CAS 84625-61-6
xref: Reference/ChemSpider 49927
xref: Reference/PubChem-compound 55283
xref: Reference/ChEBI CHEBI 6076
xref: Reference/HMDB HMDB0015298
chemical formula: C35H38Cl2N8O4
molecular weight: 704.2393
structure: ChemicalStructure/PW C009581

ReactionCatalysis566
type: Catalysis
controller: Lanosterol 14-alpha demethylase
controlled: 1.14.13.70
control type: ACTIVATION

Reference/ChEBI CHEBI 16521
type: UnificationXref
id: CHEBI:16521
db: ChEBI

Reference/PubChem-compound 55283
type: UnificationXref
id: 55283
db: PubChem-compound

Reference/ChemSpider 391478
type: UnificationXref
id: 391478
db: ChemSpider

Hydroxyitraconazole
type: SmallMolecule
entity reference: Hydroxyitraconazole
name: SubPathwayInput

Compound/PW C000966 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Lanosterol
stoichiometric coefficient: 1.0

BiologicalState973
type: BioSource
cell type: Hepatocyte
xref: Reference/TAXONOMY 9606
name: Homo sapiens, Liver, Hepatocyte
tissue: Liver

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

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

Reference/PubChem-compound 246983
type: UnificationXref
id: 246983
db: PubChem-compound

Transport14451
type: Transport
participant stoichiometry: Compound/PW C009581/Stoichiometry/1.0
right: Itraconazole
spontaneous: false
left: Itraconazole
name: Itraconazole (→) Transport: Homo sapiens, Intestine, Epithelial Cell to Homo sapiens, Blood Vessel
conversion direction: LEFT_TO_RIGHT

Reference/UniProt P20815
type: UnificationXref
id: P20815
db: UniProt

Solute carrier family 15 member 1
type: Protein
entity reference: Solute carrier family 15 member 1

Reference/HMDB HMDB0001251
type: UnificationXref
id: HMDB0001251
db: HMDB

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

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

TransportCatalysis4999
type: Catalysis
controller: ATP-dependent translocase ABCB1
controlled: Transport14023
control type: ACTIVATION

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

Reference/KEGG Compound C01724
type: UnificationXref
id: C01724
db: KEGG Compound

TransportCatalysis4998
type: Catalysis
controller: Solute carrier family 15 member 1
controlled: Transport14022
control type: ACTIVATION

Canalicular multispecific organic anion transporter 2
type: ProteinReference
xref: Reference/UniProt O15438

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

Hydroxyitraconazole
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0061035
xref: Reference/ChemSpider 97291
chemical formula: C35H38Cl2N8O5
molecular weight: 720.2342
structure: ChemicalStructure/PW C112978

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

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

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

Interaction3949
type: MolecularInteraction
interaction type: direct_interaction
name: Itraconazole inhibits Lanosterol 14-alpha demethylase
participant: Lanosterol 14-alpha demethylase
participant: Itraconazole

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

Reference/HMDB HMDB0001023
type: UnificationXref
id: HMDB0001023
db: HMDB

ChemicalStructure/PW C009581
type: ChemicalStructure
structure format: SMILES

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

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

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/UniProt P08684
type: UnificationXref
id: P08684
db: UniProt

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

Compound/PW C000146 Endoplasmic Reticulum Membrane/Stoichiometry/3.0
type: Stoichiometry
physical entity: NADPH
stoichiometric coefficient: 3.0

ATP-dependent translocase ABCB1
type: Protein
entity reference: ATP-dependent translocase ABCB1

Reference/ChemSpider 97291
type: UnificationXref
id: 97291
db: ChemSpider

Reference/CAS 84625-61-6
type: UnificationXref
id: 84625-61-6
db: CAS

Compound/PW C000809 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: 4,4-Dimethylcholesta-8,14,24-trienol
stoichiometric coefficient: 1.0

Reference/UniProt P05181
type: UnificationXref
id: P05181
db: UniProt

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

Compound/PW C112978 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Hydroxyitraconazole
stoichiometric coefficient: 1.0

4,4-Dimethylcholesta-8,14,24-trienol
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: 4,4-Dimethylcholesta-8,14,24-trienol
name: SubPathwayInput

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

Water
type: SmallMoleculeReference
xref: Reference/PubChem-compound 962
xref: Reference/ChEBI CHEBI 15377
xref: Reference/KEGG Compound C00001
xref: Reference/ChemSpider 937
xref: Reference/HMDB HMDB0002111
xref: Reference/CAS 7732-18-5
chemical formula: H2O
molecular weight: 18.010565
structure: ChemicalStructure/PW C001420

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

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

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

Reference/UniProt Q16850
type: UnificationXref
id: Q16850
db: UniProt

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

ReactionCatalysis207714
type: Catalysis
controller: Cytochrome P450 3A4
controlled: 1.14.13.-
control type: ACTIVATION

Reference/CAS 64284-64-6
type: UnificationXref
id: 64284-64-6
db: CAS

Formic acid
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Formic acid

Interaction3951
type: MolecularInteraction
interaction type: direct_interaction
name: Itraconazole inhibits Cytochrome P450 3A5
participant: Itraconazole
participant: Cytochrome P450 3A5

Interaction3952
type: MolecularInteraction
interaction type: direct_interaction
name: Itraconazole inhibits Cytochrome P450 3A7
participant: Cytochrome P450 3A7
participant: Itraconazole

Compound/PW C009581 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Itraconazole
stoichiometric coefficient: 1.0

Interaction3953
type: MolecularInteraction
interaction type: direct_interaction
name: Itraconazole inhibits Cytochrome P450 3A4
participant: Itraconazole
participant: Cytochrome P450 3A4

Interaction3954
type: MolecularInteraction
interaction type: direct_interaction
name: Itraconazole inhibits Cytochrome P450 2B6
participant: Itraconazole
participant: Cytochrome P450 2B6

Interaction3955
type: MolecularInteraction
interaction type: direct_interaction
name: Itraconazole inhibits Cytochrome P450 2E1
participant: Cytochrome P450 2E1
participant: Itraconazole

Solute carrier family 15 member 1
type: ProteinReference
xref: Reference/UniProt P46059