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

Ergosterol
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 16933
xref: Reference/HMDB HMDB0000878
xref: Reference/KEGG Compound C01694
xref: Reference/BioCyc ERGOSTEROL
xref: Reference/PubChem-compound 21775588
xref: Reference/ChemSpider 10477914
xref: Reference/CAS 57-87-4
chemical formula: C28H44O
molecular weight: 396.3392
structure: ChemicalStructure/PW C000701

Reference/ChEBI CHEBI 16933
type: UnificationXref
id: CHEBI:16933
db: ChEBI

Compound/PW C009515 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Butenafine
stoichiometric coefficient: 1.0

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

Reference/HMDB HMDB0015223
type: UnificationXref
id: HMDB0015223
db: HMDB

direct_interaction
type: InteractionVocabulary

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

Reference/PathWhiz PW126623
type: UnificationXref
id: PW126623
db: PathWhiz

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

Reference/HMDB HMDB0001188
type: UnificationXref
id: HMDB0001188
db: HMDB

Reference/KEGG Compound C00448
type: UnificationXref
id: C00448
db: KEGG Compound

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

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

Reference/CAS 111-02-4
type: UnificationXref
id: 111-02-4
db: CAS

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

Reference/ChemSpider 393270
type: UnificationXref
id: 393270
db: ChemSpider

Reference/UniProt Q04782
type: UnificationXref
id: Q04782
db: UniProt

1.14.14.154
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 C040034 Endoplasmic Reticulum Membrane/Stoichiometry/4.0
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: Hydrogen Ion
right: NADP
spontaneous: false
EC number: 1.14.14.154
left: Lanosterol
left: Oxygen
left: NADPH
name: Lanosterol + 3 NADPH + 3 Oxygen → 4,4-Dimethylcholesta-8,14,24-trienol + Formic acid + 4 Hydrogen Ion + 3 NADP + 4 Water
conversion direction: LEFT_TO_RIGHT

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

Reference/ChemSpider 559142
type: UnificationXref
id: 559142
db: ChemSpider

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

(S)-2,3-Epoxysqualene
type: SmallMoleculeReference
xref: Reference/BioCyc EPOXYSQUALENE
xref: Reference/CAS 9029-62-3
xref: Reference/ChemSpider 30776536
xref: Reference/PubChem-compound 53477723
xref: Reference/KEGG Compound C01054
xref: Reference/HMDB HMDB0001188
xref: Reference/ChEBI CHEBI 15441
chemical formula: C30H50O
molecular weight: 426.38617
structure: ChemicalStructure/PW C000924

Reference/UniProt P10613
type: UnificationXref
id: P10613
db: UniProt

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

ReactionCatalysis207749
type: Catalysis
controller: Lanosterol 14-alpha demethylase
controlled: 1.14.14.154
control type: ACTIVATION

Compound/PW C040034 Endoplasmic Reticulum Membrane/Stoichiometry/4.0
type: Stoichiometry
physical entity: Hydrogen Ion
stoichiometric coefficient: 4.0

Compound/PW C000175 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Squalene
stoichiometric coefficient: 1.0

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

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

Compound/PW C000768 Endoplasmic Reticulum Membrane/Stoichiometry/2.0
type: Stoichiometry
physical entity: Farnesyl pyrophosphate
stoichiometric coefficient: 2.0

Reference/PubChem-compound 2484
type: UnificationXref
id: 2484
db: PubChem-compound

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

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

Reference/KEGG Compound C08067
type: UnificationXref
id: C08067
db: KEGG Compound

Reference/PathWhiz PW127379
type: UnificationXref
id: PW127379
db: PathWhiz

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

(S)-2,3-Epoxysqualene
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: (S)-2,3-Epoxysqualene

Reference/PubChem-compound 445713
type: UnificationXref
id: 445713
db: PubChem-compound

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

Reference/SMPDB SMP0125088
type: UnificationXref
id: SMP0125088
db: SMPDB

Butenafine
type: SmallMoleculeReference
xref: Reference/CAS 101828-21-1
xref: Reference/ChemSpider 2390
xref: Reference/KEGG Compound C08067
xref: Reference/ChEBI CHEBI 3238
xref: Reference/PubChem-compound 2484
xref: Reference/HMDB HMDB0015223
chemical formula: C23H27N
molecular weight: 317.21436
structure: ChemicalStructure/PW C009515

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

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

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

Reference/CAS 57-87-4
type: UnificationXref
id: 57-87-4
db: CAS

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

ChemicalStructure/PW C000809
type: ChemicalStructure
structure format: SMILES

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

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

ChemicalStructure/PW C000924
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C

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

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

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

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

Lanosterol 14-alpha demethylase
type: ProteinReference
xref: Reference/UniProt P10613
organism: BiologicalState1029

Reference/KEGG Compound C01694
type: UnificationXref
id: C01694
db: KEGG Compound

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

Reference/ChEBI CHEBI 18361
type: UnificationXref
id: CHEBI:18361
db: ChEBI

Transport14715
type: Transport
participant stoichiometry: Compound/PW C009515 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009515 Cytosol/Stoichiometry/1.0
right: Butenafine
spontaneous: true
left: Butenafine
name: Butenafine (→) Transport: Homo sapiens, Skin, Cell, Cytosol to Candida albicans, Cell, Cytoplasm
conversion direction: REVERSIBLE

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

Reference/ChemSpider 10477914
type: UnificationXref
id: 10477914
db: ChemSpider

ChemicalStructure/PW C000143
type: ChemicalStructure
structure format: SMILES

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

ChemicalStructure/PW C009515
type: ChemicalStructure
structure format: SMILES

ChemicalStructure/PW C000146
type: ChemicalStructure
structure format: SMILES

Reference/ChEBI CHEBI 3238
type: UnificationXref
id: CHEBI:3238
db: ChEBI

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

ReactionCatalysis207669
type: Catalysis
controller: Squalene monooxygenase
controlled: 1.14.13.132
control type: ACTIVATION

ReactionCatalysis207668
type: Catalysis
controller: Squalene synthase
controlled: 2.5.1.21
control type: ACTIVATION

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

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

Pyrophosphate
type: SmallMoleculeReference
xref: Reference/PubChem-compound 644102
xref: Reference/BioCyc PPI
xref: Reference/ChemSpider 559142
xref: Reference/ChEBI CHEBI 18361
xref: Reference/HMDB HMDB0000250
xref: Reference/CAS 14000-31-8
xref: Reference/KEGG Compound C00013
chemical formula: H4O7P2
molecular weight: 177.94322
structure: ChemicalStructure/PW C000170

Compound/PW C000170 Endoplasmic Reticulum Membrane/Stoichiometry/2.0
type: Stoichiometry
physical entity: Pyrophosphate
stoichiometric coefficient: 2.0

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

Squalene
type: SmallMoleculeReference
xref: Reference/ChemSpider 10148626
xref: Reference/HMDB HMDB0000256
xref: Reference/BioCyc SQUALENE
xref: Reference/CAS 111-02-4
xref: Reference/PubChem-compound 11975273
xref: Reference/KEGG Compound C00751
xref: Reference/ChEBI CHEBI 15440
chemical formula: C30H50
molecular weight: 410.39127
structure: ChemicalStructure/PW C000175

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

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

Squalene synthase
type: ProteinReference
xref: Reference/UniProt P78589
organism: BiologicalState1029

Steroid Biosynthesis (Not This One)
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway119576
pathway component: SubPathwayInteraction119576
xref: Reference/PathWhiz PW126623
xref: Reference/SMPDB SMP0125088
name: SubPathway

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

Squalene monooxygenase
type: ProteinReference
xref: Reference/UniProt Q92206
organism: BiologicalState1029

Lanosterol synthase
type: ProteinReference
xref: Reference/UniProt Q04782
organism: BiologicalState1029

Reference/ChemSpider 2390
type: UnificationXref
id: 2390
db: ChemSpider

ReactionCatalysis207670
type: Catalysis
controller: Lanosterol synthase
controlled: 5.4.99.7
control type: ACTIVATION

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

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

BiologicalState1029
type: BioSource
xref: Reference/TAXONOMY 5476
name: Candida albicans

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

Reference/CAS 372-97-4
type: UnificationXref
id: 372-97-4
db: CAS

Reference/ChEBI CHEBI 15441
type: UnificationXref
id: CHEBI:15441
db: ChEBI

ChemicalStructure/PW C000966
type: ChemicalStructure
structure format: SMILES

Reference/ChEBI CHEBI 15440
type: UnificationXref
id: CHEBI:15440
db: ChEBI

ChemicalStructure/PW C000175
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C

Reference/HMDB HMDB0000256
type: UnificationXref
id: HMDB0000256
db: HMDB

Reference/UniProt P78589
type: UnificationXref
id: P78589
db: UniProt

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

Reference/HMDB HMDB0000250
type: UnificationXref
id: HMDB0000250
db: HMDB

Squalene synthase
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Squalene synthase

ChemicalStructure/PW C000170
type: ChemicalStructure
structure format: SMILES
structure data: OP(O)(=O)OP(O)(O)=O

Reference/CAS 14000-31-8
type: UnificationXref
id: 14000-31-8
db: CAS

Reference/CAS 101828-21-1
type: UnificationXref
id: 101828-21-1
db: CAS

Compound/PW C000924 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: (S)-2,3-Epoxysqualene
stoichiometric coefficient: 1.0

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 10148626
type: UnificationXref
id: 10148626
db: ChemSpider

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

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

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

Farnesyl pyrophosphate
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00448
xref: Reference/HMDB HMDB0000961
xref: Reference/ChemSpider 393270
xref: Reference/ChEBI CHEBI 17407
xref: Reference/CAS 372-97-4
xref: Reference/BioCyc FARNESYL-PP
xref: Reference/PubChem-compound 445713
chemical formula: C15H28O7P2
molecular weight: 382.13104
structure: ChemicalStructure/PW C000768

Reference/PubChem-compound 53477723
type: UnificationXref
id: 53477723
db: PubChem-compound

Reference/SMPDB SMP0125811
type: UnificationXref
id: SMP0125811
db: SMPDB

Homo sapiens
type: BioSource
xref: Reference/TAXONOMY 9606

ChemicalStructure/PW C000701
type: ChemicalStructure
structure format: SMILES

Lanosterol synthase
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Lanosterol synthase

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

Reference/CAS 9029-62-3
type: UnificationXref
id: 9029-62-3
db: CAS

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

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

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

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

5.4.99.7
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000924 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000966 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
right: Lanosterol
spontaneous: false
EC number: 5.4.99.7
left: (S)-2,3-Epoxysqualene
name: (S)-2,3-Epoxysqualene → Lanosterol
conversion direction: LEFT_TO_RIGHT

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

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

1.14.13.132
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000146 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000175 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000924 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: (S)-2,3-Epoxysqualene
right: NADP
spontaneous: false
EC number: 1.14.13.132
left: Oxygen
left: Squalene
left: NADPH
name: NADPH + Oxygen + Squalene → (S)-2,3-Epoxysqualene + NADP + Water
conversion direction: LEFT_TO_RIGHT

Reference/BioCyc FARNESYL-PP
type: UnificationXref
id: FARNESYL-PP
db: BioCyc

2.5.1.21
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000170 Endoplasmic Reticulum Membrane/Stoichiometry/2.0
participant stoichiometry: Compound/PW C000146 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000175 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000768 Endoplasmic Reticulum Membrane/Stoichiometry/2.0
participant stoichiometry: Compound/PW C000143 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
right: Squalene
right: Pyrophosphate
right: NADP
spontaneous: false
EC number: 2.5.1.21
left: Farnesyl pyrophosphate
left: NADPH
name: 2 Farnesyl pyrophosphate + NADPH → NADP + 2 Pyrophosphate + Squalene
conversion direction: LEFT_TO_RIGHT

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

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

Reference/HMDB HMDB0000961
type: UnificationXref
id: HMDB0000961
db: HMDB

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

Reference/PubChem-compound 21775588
type: UnificationXref
id: 21775588
db: PubChem-compound

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

Butenafine Action Pathway
type: Pathway
pathway order: PathwayEnzymeReaction/2519981
pathway order: PathwayEnzymeReaction/2519982
pathway order: PathwayEnzymeReaction/2519983
pathway order: PathwayEnzymeReaction/2519984
pathway order: PathwaySubPathway/119576
pathway order: PathwayInteraction/4232
pathway order: PathwayTransport/2519988
pathway component: 5.4.99.7
pathway component: ReactionCatalysis207670
pathway component: 1.14.14.154
pathway component: ReactionCatalysis207749
pathway component: Steroid Biosynthesis (Not This One)
pathway component: ReactionCatalysis207669
pathway component: ReactionCatalysis207668
pathway component: Transport14715
pathway component: 1.14.13.132
pathway component: Interaction4232
pathway component: 2.5.1.21
xref: Reference/SMPDB SMP0125811
xref: Reference/PathWhiz PW127379
organism: Homo sapiens

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

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

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

Farnesyl pyrophosphate
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Farnesyl pyrophosphate

Interaction4232
type: MolecularInteraction
interaction type: direct_interaction
name: Butenafine inhibits Squalene monooxygenase
participant: Butenafine
participant: Squalene monooxygenase

Reference/KEGG Compound C00751
type: UnificationXref
id: C00751
db: KEGG Compound

SubPathwayInteraction119576
type: Interaction
name: SubPathwayReaction
name: SubPathway119576Reaction
participant: 4,4-Dimethylcholesta-8,14,24-trienol
participant: Ergosterol

ChemicalStructure/PW C000768
type: ChemicalStructure
structure format: SMILES

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

Squalene monooxygenase
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Squalene monooxygenase

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

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

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

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

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

Reference/UniProt Q92206
type: UnificationXref
id: Q92206
db: UniProt

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+]

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

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

Compound/PW C009515 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Butenafine
stoichiometric coefficient: 1.0

Reference/KEGG Compound C01054
type: UnificationXref
id: C01054
db: KEGG Compound

Reference/TAXONOMY 5476
type: UnificationXref
id: 5476
db: TAXONOMY

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

Squalene monooxygenase
type: Protein
cellular location: Cytoplasm
entity reference: Squalene monooxygenase

Reference/ChemSpider 30776536
type: UnificationXref
id: 30776536
db: ChemSpider

Reference/PubChem-compound 644102
type: UnificationXref
id: 644102
db: PubChem-compound

Reference/ChEBI CHEBI 17407
type: UnificationXref
id: CHEBI:17407
db: ChEBI

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

Ergosterol
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Ergosterol
name: SubPathwayOutput

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

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

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

Reference/HMDB HMDB0000878
type: UnificationXref
id: HMDB0000878
db: HMDB

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

Reference/PubChem-compound 11975273
type: UnificationXref
id: 11975273
db: PubChem-compound