Compound/PW C009165 Endoplasmic Reticulum Lumen/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolate mofetil
stoichiometric coefficient: 1.0

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

Compound/PW C040621 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolic acid O-acyl-glucuronide
stoichiometric coefficient: 1.0

Inosine-5'-monophosphate dehydrogenase 2
type: ProteinReference
xref: Reference/UniProt P12268
organism: Homo sapiens

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

Inosine-5'-monophosphate dehydrogenase 1
type: ProteinReference
xref: Reference/UniProt P20839
organism: Homo sapiens

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

Reference/UniProt O00748
type: UnificationXref
id: O00748
db: UniProt

Protein/479 Endoplasmic Reticulum Membrane/Stoichiometry/3.0
type: Stoichiometry
physical entity: Liver carboxylesterase 1
stoichiometric coefficient: 3.0

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

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

Reference/ChEBI CHEBI 64689
type: UnificationXref
id: CHEBI:64689
db: ChEBI

Liver carboxylesterase 1
type: Complex
component stoichiometry: Protein/479 Cytosol/Stoichiometry/3.0
cellular location: Cytosol
component: Liver carboxylesterase 1

6-O-Desmethyl-mycophenolic acid
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: 6-O-Desmethyl-mycophenolic acid

Compound/PW C040624 Endoplasmic Reticulum Lumen/Stoichiometry/1.0
type: Stoichiometry
physical entity: N-(2-Hydroxyethyl)-morpholine
stoichiometric coefficient: 1.0

Mycophenolic acid O-acyl-glucuronide
type: SmallMolecule
entity reference: Mycophenolic acid O-acyl-glucuronide

Mycophenolic acid glucuronide
type: SmallMolecule
entity reference: Mycophenolic acid glucuronide

Liver carboxylesterase 1
type: Complex
component stoichiometry: Protein/479 Endoplasmic Reticulum Membrane/Stoichiometry/3.0
cellular location: Endoplasmic Reticulum Membrane
component: Liver carboxylesterase 1

Reference/UniProt Q92887
type: UnificationXref
id: Q92887
db: UniProt

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

Cytochrome P450 3A4
type: ProteinReference
xref: Reference/UniProt P08684
organism: BiologicalState10

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

Inosine-5'-monophosphate dehydrogenase 1
type: Complex
component stoichiometry: Protein/826 Cytosol/Stoichiometry/4.0
cellular location: Cytosol
component: Inosine-5'-monophosphate dehydrogenase 1
name: SubPathwayInhibition

Cytochrome P450 3A5
type: ProteinReference
xref: Reference/UniProt P20815
organism: BiologicalState10

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

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

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

Compound/PW C009457/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolic acid
stoichiometric coefficient: 1.0

Reference/SMPDB SMP0000652
type: UnificationXref
id: SMP0000652
db: SMPDB

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

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

Compound/PW C040624 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: N-(2-Hydroxyethyl)-morpholine
stoichiometric coefficient: 1.0

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

Reference/UniProt Q9NPD5
type: UnificationXref
id: Q9NPD5
db: UniProt

Reference/HMDB HMDB0060491
type: UnificationXref
id: HMDB0060491
db: HMDB

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

Mycophenolic acid O-acyl-glucuronide
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0060491
xref: Reference/KEGG Compound C20383
xref: Reference/ChEBI CHEBI 64689
xref: Reference/PubChem-compound 10028772
xref: Reference/ChemSpider 8204343
chemical formula: C23H28O12
molecular weight: 496.15808
structure: ChemicalStructure/PW C040621

Mycophenolic acid glucuronide
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0060634
chemical formula: C23H28O12
molecular weight: 496.15808
structure: ChemicalStructure/PW C040622

6-O-Desmethyl-mycophenolic acid
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0060788
xref: Reference/PubChem-compound 57369640
chemical formula: C16H18O6
molecular weight: 306.11035
structure: ChemicalStructure/PW C040623

Compound/PW C001104 Cell Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Phosphate
stoichiometric coefficient: 1.0

N-(2-Hydroxyethyl)-morpholine
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0060650
xref: Reference/PubChem-compound 61163
xref: Reference/ChemSpider 55110
xref: Reference/CAS 622-40-2
xref: Reference/ChEBI CHEBI 67144
chemical formula: C6H13NO2
molecular weight: 131.09464
structure: ChemicalStructure/PW C040624

N-(2-Carboxymethyl)-morpholine
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0061156
xref: Reference/PubChem-compound 438968
xref: Reference/ChemSpider 388152
chemical formula: C6H11NO3
molecular weight: 145.0739
structure: ChemicalStructure/PW C040625

N-(2-Hydroxyethyl)-morpholine N-oxide
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0061157
xref: Reference/ChemSpider 30778639
chemical formula: C6H13NO3
molecular weight: 147.08954
structure: ChemicalStructure/PW C040626

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

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

Cytochrome P450 2C8
type: ProteinReference
xref: Reference/UniProt P10632
organism: BiologicalState10

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

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

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

Reference/HMDB HMDB0014826
type: UnificationXref
id: HMDB0014826
db: HMDB

Mycophenolic acid inhibition of Inosine-5'-monophosphate dehydrogenase 1 and 2
type: Pathway
name: InhibitorySubPathway

Reference/BRENDA TISSUE ONTOLOGY BTO 0000648
type: UnificationXref
id: BTO:0000648
db: BRENDA TISSUE ONTOLOGY

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

Protein/479 Cytosol/Stoichiometry/3.0
type: Stoichiometry
physical entity: Liver carboxylesterase 1
stoichiometric coefficient: 3.0

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

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

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

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

Compound/PW C040621/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolic acid O-acyl-glucuronide
stoichiometric coefficient: 1.0

Phosphate
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00009
xref: Reference/PubChem-compound 1061
xref: Reference/CAS 14265-44-2
xref: Reference/HMDB HMDB0001429
xref: Reference/BioCyc CPD-8587
xref: Reference/ChEBI CHEBI 18367
xref: Reference/ChemSpider 1032
chemical formula: H3O4P
molecular weight: 97.9769
structure: ChemicalStructure/PW C001104

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

ReactionCoupledTransportCatalysis83
type: Catalysis
controller: Multidrug resistance protein 1
controlled: 3.6.3.44
control type: ACTIVATION

ReactionCoupledTransportCatalysis82
type: Catalysis
controller: Canalicular multispecific organic anion transporter 1
controlled: 3.6.3.44
control type: ACTIVATION

ReactionCoupledTransportCatalysis85
type: Catalysis
controller: Canalicular multispecific organic anion transporter 1
controlled: ReactionCoupledTransport70
control type: ACTIVATION

ReactionCoupledTransportCatalysis84
type: Catalysis
controller: ATP-binding cassette sub-family G member 2
controlled: 3.6.3.44
control type: ACTIVATION

Reference/CAS 24280-93-1
type: UnificationXref
id: 24280-93-1
db: CAS

Liver carboxylesterase 1
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Liver carboxylesterase 1

ChemicalStructure/PW C000201
type: ChemicalStructure
structure format: SMILES

ReactionCoupledTransportCatalysis81
type: Catalysis
controller: Canalicular multispecific organic anion transporter 1
controlled: ReactionCoupledTransport68
control type: ACTIVATION

ATP-binding cassette sub-family G member 2
type: Protein
cellular location: Cell Membrane
entity reference: ATP-binding cassette sub-family G member 2

Reference/CAS 622-40-2
type: UnificationXref
id: 622-40-2
db: CAS

Compound/PW C040622 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolic acid glucuronide
stoichiometric coefficient: 1.0

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

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

Reference/UniProt Q9HAW7
type: UnificationXref
id: Q9HAW7
db: UniProt

Reference/PubChem-compound 57369640
type: UnificationXref
id: 57369640
db: PubChem-compound

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

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

UDP-glucuronosyltransferase 1-8
type: ProteinReference
xref: Reference/UniProt Q9HAW9
organism: BiologicalState10

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

Reaction2023
type: BiochemicalReaction
participant stoichiometry: Compound/PW C009165 Endoplasmic Reticulum Lumen/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009457 Endoplasmic Reticulum Lumen/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Endoplasmic Reticulum Lumen/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009165 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009457 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040624 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040624 Endoplasmic Reticulum Lumen/Stoichiometry/1.0
right: Mycophenolic acid
right: N-(2-Hydroxyethyl)-morpholine
spontaneous: false
left: Water
left: Mycophenolate mofetil
name: Mycophenolate mofetil + Water → Mycophenolic acid + N-(2-Hydroxyethyl)-morpholine
conversion direction: LEFT_TO_RIGHT

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

Reaction2024
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040626 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040625 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009165 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040624 Cytosol/Stoichiometry/1.0
right: N-(2-Carboxymethyl)-morpholine
right: N-(2-Hydroxyethyl)-morpholine N-oxide
right: N-(2-Hydroxyethyl)-morpholine
spontaneous: false
left: Mycophenolate mofetil
name: Mycophenolate mofetil → N-(2-Carboxymethyl)-morpholine + N-(2-Hydroxyethyl)-morpholine + N-(2-Hydroxyethyl)-morpholine N-oxide
conversion direction: LEFT_TO_RIGHT

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

ReactionCatalysis1887
type: Catalysis
controller: UDP-glucuronosyltransferase 1-7
controlled: 2.4.1.17
control type: ACTIVATION

ReactionCatalysis1886
type: Catalysis
controller: UDP-glucuronosyltransferase 2B7
controlled: 2.4.1.17
control type: ACTIVATION

ChemicalStructure/PW C001104
type: ChemicalStructure
structure format: SMILES
structure data: OP(O)(O)=O

ReactionCatalysis1888
type: Catalysis
controller: UDP-glucuronosyltransferase 1-8
controlled: 2.4.1.17
control type: ACTIVATION

UDP-glucuronosyltransferase 2B7
type: ProteinReference
xref: Reference/UniProt P16662
organism: BiologicalState10

Reference/UniProt Q9HAW9
type: UnificationXref
id: Q9HAW9
db: UniProt

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

Compound/PW C009457 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolic acid
stoichiometric coefficient: 1.0

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

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

Protein/824 Cytosol/Stoichiometry/4.0
type: Stoichiometry
physical entity: Inosine-5'-monophosphate dehydrogenase 2
stoichiometric coefficient: 4.0

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

Reaction2029
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000721 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040623 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001102 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009457 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: Water
right: Formaldehyde
right: NAD
right: 6-O-Desmethyl-mycophenolic acid
spontaneous: false
left: NADH
left: Oxygen
left: Mycophenolic acid
name: Mycophenolic acid + NADH + Oxygen → 6-O-Desmethyl-mycophenolic acid + Formaldehyde + NAD + Water
conversion direction: LEFT_TO_RIGHT

ReactionCatalysis1881
type: Catalysis
controller: Cocaine esterase
controlled: Reaction2024
control type: ACTIVATION

2.4.1.17
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000201 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040621 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000746 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009457 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
right: Uridine 5'-diphosphate
right: Mycophenolic acid O-acyl-glucuronide
spontaneous: false
EC number: 2.4.1.17
left: Uridine diphosphate glucuronic acid
left: Mycophenolic acid
name: Mycophenolic acid + Uridine diphosphate glucuronic acid → Mycophenolic acid O-acyl-glucuronide + Uridine 5'-diphosphate
conversion direction: LEFT_TO_RIGHT

ReactionCatalysis1880
type: Catalysis
controller: Liver carboxylesterase 1
controlled: Reaction2024
control type: ACTIVATION

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 C009457 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040622 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
right: Uridine 5'-diphosphate
right: Mycophenolic acid glucuronide
spontaneous: false
EC number: 2.4.1.17
left: Uridine diphosphate glucuronic acid
left: Mycophenolic acid
name: Mycophenolic acid + Uridine diphosphate glucuronic acid → Mycophenolic acid glucuronide + Uridine 5'-diphosphate
conversion direction: LEFT_TO_RIGHT

Mycophenolic acid glucuronide
type: SmallMolecule
cellular location: Cell Membrane
entity reference: Mycophenolic acid glucuronide

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

Reference/KEGG Compound C00009
type: UnificationXref
id: C00009
db: KEGG Compound

Reference/HMDB HMDB0015159
type: UnificationXref
id: HMDB0015159
db: HMDB

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

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

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

Mycophenolate mofetil
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Mycophenolate mofetil

BiologicalState77
type: BioSource
xref: Reference/TAXONOMY 9606
name: Homo sapiens, Intestine
tissue: Intestine

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

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

Reference/HMDB HMDB0001429
type: UnificationXref
id: HMDB0001429
db: HMDB

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

Liver carboxylesterase 1
type: ProteinReference
xref: Reference/UniProt P23141
organism: BiologicalState26

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

Reference/ChEBI CHEBI 18367
type: UnificationXref
id: CHEBI:18367
db: ChEBI

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

Reference/ChemSpider 1032
type: UnificationXref
id: 1032
db: ChemSpider

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

N-(2-Hydroxyethyl)-morpholine
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: N-(2-Hydroxyethyl)-morpholine

Reference/KEGG Compound C00002
type: UnificationXref
id: C00002
db: KEGG Compound

Solute carrier organic anion transporter family member 1B3
type: Protein
entity reference: Solute carrier organic anion transporter family member 1B3

UDP-glucuronosyltransferase 1-7
type: ProteinReference
xref: Reference/UniProt Q9HAW7
organism: BiologicalState10

Mycophenolic acid
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0015159
xref: Reference/CAS 24280-93-1
xref: Reference/PubChem-compound 446541
xref: Reference/ChEBI CHEBI 168396
xref: Reference/ChemSpider 393865
xref: Reference/KEGG Compound C20380
chemical formula: C17H20O6
molecular weight: 320.12598
structure: ChemicalStructure/PW C009457

Mycophenolic acid
type: SmallMolecule
entity reference: Mycophenolic acid

Intestine
type: TissueVocabulary
xref: Reference/BRENDA TISSUE ONTOLOGY BTO 0000648

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

Reference/HMDB HMDB0060634
type: UnificationXref
id: HMDB0060634
db: HMDB

ReactionCatalysis1890
type: Catalysis
controller: UDP-glucuronosyltransferase 1-9
controlled: 2.4.1.17
control type: ACTIVATION

Reference/UniProt P20839
type: UnificationXref
id: P20839
db: UniProt

Protein/826 Cytosol/Stoichiometry/4.0
type: Stoichiometry
physical entity: Inosine-5'-monophosphate dehydrogenase 1
stoichiometric coefficient: 4.0

ReactionCatalysis1892
type: Catalysis
controller: Cytochrome P450 3A5
controlled: Reaction2029
control type: ACTIVATION

ReactionCatalysis1891
type: Catalysis
controller: Cytochrome P450 3A4
controlled: Reaction2029
control type: ACTIVATION

ReactionCatalysis1893
type: Catalysis
controller: Cytochrome P450 2C8
controlled: Reaction2029
control type: ACTIVATION

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

ATP-binding cassette sub-family G member 2
type: Protein
entity reference: ATP-binding cassette sub-family G member 2

Mycophenolic acid glucuronide
type: SmallMolecule
cellular location: Cytosol
entity reference: Mycophenolic acid glucuronide

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

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

Mycophenolic acid glucuronide
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Mycophenolic acid glucuronide

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

Solute carrier organic anion transporter family member 1B1
type: Protein
entity reference: Solute carrier organic anion transporter family member 1B1

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

Cocaine esterase
type: ProteinReference
xref: Reference/UniProt O00748
organism: BiologicalState77

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

ChemicalStructure/PW C009165
type: ChemicalStructure
structure format: SMILES

Mycophenolic acid
type: SmallMolecule
cellular location: Endoplasmic Reticulum Lumen
entity reference: Mycophenolic acid

Reference/HMDB HMDB0061156
type: UnificationXref
id: HMDB0061156
db: HMDB

Reference/HMDB HMDB0061157
type: UnificationXref
id: HMDB0061157
db: HMDB

Compound/PW C009457 Endoplasmic Reticulum Lumen/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolic acid
stoichiometric coefficient: 1.0

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

TransportCatalysis151
type: Catalysis
controller: Canalicular multispecific organic anion transporter 1
controlled: Transport195
control type: ACTIVATION

TransportCatalysis150
type: Catalysis
controller: Canalicular multispecific organic anion transporter 1
controlled: Transport194
control type: ACTIVATION

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

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

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

N-(2-Carboxymethyl)-morpholine
type: SmallMolecule
cellular location: Cytosol
entity reference: N-(2-Carboxymethyl)-morpholine

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

Reference/ChEBI CHEBI 67144
type: UnificationXref
id: CHEBI:67144
db: ChEBI

TransportCatalysis149
type: Catalysis
controller: Multidrug resistance protein 1
controlled: Transport193
control type: ACTIVATION

TransportCatalysis148
type: Catalysis
controller: Canalicular multispecific organic anion transporter 1
controlled: Transport193
control type: ACTIVATION

Cocaine esterase
type: Protein
cellular location: Endoplasmic Reticulum Lumen
entity reference: Cocaine esterase

TransportCatalysis147
type: Catalysis
controller: ATP-binding cassette sub-family G member 2
controlled: Transport193
control type: ACTIVATION

TransportCatalysis146
type: Catalysis
controller: Solute carrier organic anion transporter family member 1B3
controlled: Transport192
control type: ACTIVATION

Mycophenolic acid O-acyl-glucuronide
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Mycophenolic acid O-acyl-glucuronide

Reference/PathWhiz PW000628
type: UnificationXref
id: PW000628
db: PathWhiz

TransportCatalysis145
type: Catalysis
controller: Solute carrier organic anion transporter family member 1B1
controlled: Transport192
control type: ACTIVATION

Reference/PubChem-compound 10028772
type: UnificationXref
id: 10028772
db: PubChem-compound

Reference/KEGG Compound C07908
type: UnificationXref
id: C07908
db: KEGG Compound

BiologicalState26
type: BioSource
cell type: Hepatocyte
xref: Reference/TAXONOMY 9606
name: Homo sapiens, Liver, Hepatocyte
tissue: Liver

ChemicalStructure/PW C040624
type: ChemicalStructure
structure format: SMILES
structure data: OCCN1CCOCC1

Transport194
type: Transport
participant stoichiometry: Compound/PW C009457/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009457 Cytosol/Stoichiometry/1.0
right: Mycophenolic acid
spontaneous: false
left: Mycophenolic acid
name: Mycophenolic acid (→) Transport: Homo sapiens, Intestine, Epithelial Cell, Cytosol to Homo sapiens, Blood Vessel
conversion direction: LEFT_TO_RIGHT

Reference/ChemSpider 55110
type: UnificationXref
id: 55110
db: ChemSpider

Transport193
type: Transport
participant stoichiometry: Compound/PW C040622/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040622 Cytosol/Stoichiometry/1.0
right: Mycophenolic acid glucuronide
spontaneous: false
left: Mycophenolic acid glucuronide
name: Mycophenolic acid glucuronide (→) Transport: Homo sapiens, Intestine, Epithelial Cell, Cytosol to Homo sapiens, Blood Vessel
conversion direction: LEFT_TO_RIGHT

ChemicalStructure/PW C040623
type: ChemicalStructure
structure format: SMILES

Transport196
type: Transport
participant stoichiometry: Compound/PW C009165 Cytosol/Stoichiometry/1.0
right: Mycophenolate mofetil
spontaneous: false
left: Mycophenolate mofetil
name: Mycophenolate mofetil (→) Transport: Homo sapiens, Intestine, Cell, Cytosol to Homo sapiens, Liver, Hepatocyte, Cytosol
conversion direction: LEFT_TO_RIGHT

ChemicalStructure/PW C040622
type: ChemicalStructure
structure format: SMILES

Transport195
type: Transport
participant stoichiometry: Compound/PW C040621/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040621 Cytosol/Stoichiometry/1.0
right: Mycophenolic acid O-acyl-glucuronide
spontaneous: false
left: Mycophenolic acid O-acyl-glucuronide
name: Mycophenolic acid O-acyl-glucuronide (→) Transport: Homo sapiens, Intestine, Epithelial Cell, Cytosol to Homo sapiens, Blood Vessel
conversion direction: LEFT_TO_RIGHT

ChemicalStructure/PW C040621
type: ChemicalStructure
structure format: SMILES

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

ChemicalStructure/PW C040626
type: ChemicalStructure
structure format: SMILES
structure data: OCCON1CCOCC1

Transport192
type: Transport
participant stoichiometry: Compound/PW C009457/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009457 Cytosol/Stoichiometry/1.0
right: Mycophenolic acid
spontaneous: false
left: Mycophenolic acid
name: Mycophenolic acid (→) Transport: Homo sapiens, Blood Vessel to Homo sapiens, Intestine, Epithelial Cell, Cytosol
conversion direction: LEFT_TO_RIGHT

ChemicalStructure/PW C000721
type: ChemicalStructure
structure format: SMILES

Reference/BioCyc CPD-8587
type: UnificationXref
id: CPD-8587
db: BioCyc

ChemicalStructure/PW C040625
type: ChemicalStructure
structure format: SMILES
structure data: OC(=O)CN1CCOCC1

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

Compound/PW C009457 Cell Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolic acid
stoichiometric coefficient: 1.0

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

Reference/ChEBI CHEBI 168396
type: UnificationXref
id: CHEBI:168396
db: ChEBI

Reference/HMDB HMDB0060788
type: UnificationXref
id: HMDB0060788
db: HMDB

Inosine-5'-monophosphate dehydrogenase 2
type: Protein
cellular location: Cytosol
entity reference: Inosine-5'-monophosphate dehydrogenase 2

Adenosine triphosphate
type: SmallMolecule
cellular location: Cell Membrane
entity reference: Adenosine triphosphate

Compound/PW C040622 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolic acid glucuronide
stoichiometric coefficient: 1.0

Compound/PW C040621 Cell Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolic acid O-acyl-glucuronide
stoichiometric coefficient: 1.0

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

SubPathwayControl650
type: Interaction
name: SubPathway650Control
name: InhibitorySubPathwayControl
participant: Mycophenolic acid
participant: Inosine-5'-monophosphate dehydrogenase 1
participant: Inosine-5'-monophosphate dehydrogenase 2
participant: Mycophenolic acid inhibition of Inosine-5'-monophosphate dehydrogenase 1 and 2

Reference/PubChem-compound 446541
type: UnificationXref
id: 446541
db: PubChem-compound

Canalicular multispecific organic anion transporter 1
type: Protein
entity reference: Canalicular multispecific organic anion transporter 1

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

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

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

ChemicalStructure/PW C001034
type: ChemicalStructure
structure format: SMILES

Reference/UniProt Q9Y6L6
type: UnificationXref
id: Q9Y6L6
db: UniProt

Solute carrier organic anion transporter family member 1B3
type: ProteinReference
xref: Reference/UniProt Q9NPD5

Reference/UniProt P16662
type: UnificationXref
id: P16662
db: UniProt

Multidrug resistance protein 1
type: Protein
cellular location: Cell Membrane
entity reference: Multidrug resistance protein 1

N-(2-Hydroxyethyl)-morpholine N-oxide
type: SmallMolecule
cellular location: Cytosol
entity reference: N-(2-Hydroxyethyl)-morpholine N-oxide

Compound/PW C040623 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: 6-O-Desmethyl-mycophenolic acid
stoichiometric coefficient: 1.0

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

ReactionCoupledTransport70
type: TransportWithBiochemicalReaction
participant stoichiometry: Compound/PW C001104 Cell Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000414 Cell Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001034 Cell Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040621 Cell Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cell Membrane/Stoichiometry/1.0
right: Phosphate
right: Adenosine diphosphate
right: Mycophenolic acid O-acyl-glucuronide
spontaneous: false
left: Water
left: Adenosine triphosphate
left: Mycophenolic acid O-acyl-glucuronide
name: Adenosine triphosphate + Mycophenolic acid O-acyl-glucuronide + Water → Adenosine diphosphate + Mycophenolic acid O-acyl-glucuronide + Phosphate
conversion direction: LEFT_TO_RIGHT

Mycophenolic acid O-acyl-glucuronide
type: SmallMolecule
cellular location: Cell Membrane
entity reference: Mycophenolic acid O-acyl-glucuronide

Cytochrome P450 2C8
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Cytochrome P450 2C8

Mycophenolic acid
type: SmallMolecule
cellular location: Cell Membrane
entity reference: Mycophenolic acid

Reference/HMDB HMDB0060650
type: UnificationXref
id: HMDB0060650
db: HMDB

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

Homo sapiens
type: BioSource
xref: Reference/TAXONOMY 9606

Mycophenolate mofetil
type: SmallMolecule
cellular location: Endoplasmic Reticulum Lumen
entity reference: Mycophenolate mofetil

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

Compound/PW C009457 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolic acid
stoichiometric coefficient: 1.0

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

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

Reference/ChemSpider 30778639
type: UnificationXref
id: 30778639
db: ChemSpider

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/HMDB HMDB0001487
type: UnificationXref
id: HMDB0001487
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

Solute carrier organic anion transporter family member 1B1
type: ProteinReference
xref: Reference/UniProt Q9Y6L6

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

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

3.6.3.44
type: TransportWithBiochemicalReaction
participant stoichiometry: Compound/PW C040622 Cell Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001104 Cell Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000414 Cell Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001034 Cell Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cell Membrane/Stoichiometry/1.0
right: Phosphate
right: Adenosine diphosphate
right: Mycophenolic acid glucuronide
spontaneous: false
EC number: 3.6.3.44
left: Water
left: Adenosine triphosphate
left: Mycophenolic acid glucuronide
name: Adenosine triphosphate + Mycophenolic acid glucuronide + Water → Adenosine diphosphate + Mycophenolic acid glucuronide + Phosphate
conversion direction: LEFT_TO_RIGHT

Reference/PubChem-compound 5281078
type: UnificationXref
id: 5281078
db: PubChem-compound

ReactionCoupledTransport68
type: TransportWithBiochemicalReaction
participant stoichiometry: Compound/PW C009457 Cell Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001104 Cell Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000414 Cell Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001034 Cell Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cell Membrane/Stoichiometry/1.0
right: Mycophenolic acid
right: Phosphate
right: Adenosine diphosphate
spontaneous: false
left: Mycophenolic acid
left: Water
left: Adenosine triphosphate
name: Adenosine triphosphate + Mycophenolic acid + Water → Adenosine diphosphate + Mycophenolic acid + Phosphate
conversion direction: LEFT_TO_RIGHT

Reference/GENE ONTOLOGY GO 0005788
type: UnificationXref
id: GO:0005788
db: GENE ONTOLOGY

Reference/ChemSpider 4444535
type: UnificationXref
id: 4444535
db: ChemSpider

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

Reference/CAS 128794-94-5
type: UnificationXref
id: 128794-94-5
db: CAS

ATP-binding cassette sub-family G member 2
type: ProteinReference
xref: Reference/UniProt Q9UNQ0

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

Reference/PubChem-compound 61163
type: UnificationXref
id: 61163
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

Inosine-5'-monophosphate dehydrogenase 2
type: Complex
component stoichiometry: Protein/824 Cytosol/Stoichiometry/4.0
cellular location: Cytosol
component: Inosine-5'-monophosphate dehydrogenase 2
name: SubPathwayInhibition

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

UDP-glucuronosyltransferase 1-8
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: UDP-glucuronosyltransferase 1-8

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

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

ReactionCatalysis1878
type: Catalysis
controller: Liver carboxylesterase 1
controlled: Reaction2023
control type: ACTIVATION

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

ReactionCatalysis1879
type: Catalysis
controller: Cocaine esterase
controlled: Reaction2023
control type: ACTIVATION

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

Compound/PW C009165 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolate mofetil
stoichiometric coefficient: 1.0

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

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

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

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

Reference/UniProt P10632
type: UnificationXref
id: P10632
db: UniProt

Canalicular multispecific organic anion transporter 1
type: Protein
cellular location: Cell Membrane
entity reference: Canalicular multispecific organic anion transporter 1

Reference/ChemSpider 393865
type: UnificationXref
id: 393865
db: ChemSpider

Endoplasmic Reticulum Lumen
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0005788

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

Reference/ChemSpider 388152
type: UnificationXref
id: 388152
db: ChemSpider

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

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

Compound/PW C040621 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolic acid O-acyl-glucuronide
stoichiometric coefficient: 1.0

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

Mycophenolic acid O-acyl-glucuronide
type: SmallMolecule
cellular location: Cytosol
entity reference: Mycophenolic acid O-acyl-glucuronide

Compound/PW C040622/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolic acid glucuronide
stoichiometric coefficient: 1.0

Cocaine esterase
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Cocaine esterase

Inosine-5'-monophosphate dehydrogenase 1
type: Protein
cellular location: Cytosol
entity reference: Inosine-5'-monophosphate dehydrogenase 1

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

Cocaine esterase
type: Protein
cellular location: Cytosol
entity reference: Cocaine esterase

Mycophenolate mofetil
type: SmallMoleculeReference
xref: Reference/KEGG Compound C07908
xref: Reference/CAS 128794-94-5
xref: Reference/PubChem-compound 5281078
xref: Reference/ChEBI CHEBI 8764
xref: Reference/HMDB HMDB0014826
xref: Reference/ChemSpider 4444535
chemical formula: C23H31NO7
molecular weight: 433.21005
structure: ChemicalStructure/PW C009165

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

Compound/PW C009165 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolate mofetil
stoichiometric coefficient: 1.0

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

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

Liver carboxylesterase 1
type: Protein
cellular location: Cytosol
entity reference: Liver carboxylesterase 1

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

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

UDP-glucuronosyltransferase 1-7
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: UDP-glucuronosyltransferase 1-7

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

Reference/CAS 14265-44-2
type: UnificationXref
id: 14265-44-2
db: CAS

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

Reference/UniProt P12268
type: UnificationXref
id: P12268
db: UniProt

Reference/PubChem-compound 712
type: UnificationXref
id: 712
db: PubChem-compound

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

ChemicalStructure/PW C000414
type: ChemicalStructure
structure format: SMILES

Reference/UniProt P23141
type: UnificationXref
id: P23141
db: UniProt

Reference/ChEBI CHEBI 8764
type: UnificationXref
id: CHEBI:8764
db: ChEBI

UDP-glucuronosyltransferase 2B7
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: UDP-glucuronosyltransferase 2B7

N-(2-Hydroxyethyl)-morpholine
type: SmallMolecule
cellular location: Cytosol
entity reference: N-(2-Hydroxyethyl)-morpholine

Reference/KEGG Compound C20383
type: UnificationXref
id: C20383
db: KEGG Compound

Compound/PW C040622 Cell Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Mycophenolic acid glucuronide
stoichiometric coefficient: 1.0

Compound/PW C040625 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: N-(2-Carboxymethyl)-morpholine
stoichiometric coefficient: 1.0

Canalicular multispecific organic anion transporter 1
type: ProteinReference
xref: Reference/UniProt Q92887

ChemicalStructure/PW C000746
type: ChemicalStructure
structure format: SMILES

Compound/PW C040626 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: N-(2-Hydroxyethyl)-morpholine N-oxide
stoichiometric coefficient: 1.0

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

Reference/PubChem-compound 438968
type: UnificationXref
id: 438968
db: PubChem-compound

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

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

Mycophenolic Acid Metabolism Pathway (old)
type: Pathway
pathway order: PathwaySubPathway/650
pathway order: PathwayEnzymeReaction/3630
pathway order: PathwayTransport/2643
pathway order: PathwayTransport/2665
pathway order: PathwayEnzymeReaction/3628
pathway order: PathwayTransport/2648
pathway order: PathwayEnzymeReaction/3643
pathway order: PathwayTransport/2646
pathway order: PathwayTransport/2647
pathway order: PathwayEnzymeReaction/3629
pathway order: PathwayEnzymeReaction/2594
pathway order: PathwayEnzymeReaction/3640
pathway order: PathwayEnzymeReaction/3641
pathway order: PathwayEnzymeReaction/3642
pathway order: PathwayEnzymeReaction/3636
pathway order: PathwayEnzymeReaction/3637
pathway order: PathwayEnzymeReaction/3638
pathway order: PathwayEnzymeReaction/3639
pathway order: PathwayEnzymeReaction/3632
pathway order: PathwayEnzymeReaction/3633
pathway order: PathwayTransport/2613
pathway order: PathwayEnzymeReaction/3634
pathway order: PathwayTransport/2614
pathway order: PathwayEnzymeReaction/3635
pathway order: PathwayTransport/2619
pathway order: PathwayEnzymeReaction/2628
pathway order: PathwayEnzymeReaction/2629
pathway component: Transport194
pathway component: Transport193
pathway component: Transport196
pathway component: Transport195
pathway component: Transport192
pathway component: Reaction2023
pathway component: Reaction2024
pathway component: ReactionCatalysis1887
pathway component: ReactionCatalysis1886
pathway component: ReactionCatalysis1888
pathway component: 3.6.3.44
pathway component: ReactionCoupledTransport68
pathway component: Reaction2029
pathway component: ReactionCatalysis1881
pathway component: 2.4.1.17
pathway component: ReactionCatalysis1880
pathway component: TransportCatalysis151
pathway component: TransportCatalysis150
pathway component: SubPathwayControl650
pathway component: ReactionCoupledTransportCatalysis83
pathway component: ReactionCoupledTransportCatalysis82
pathway component: ReactionCoupledTransportCatalysis85
pathway component: ReactionCoupledTransportCatalysis84
pathway component: ReactionCatalysis1878
pathway component: ReactionCoupledTransportCatalysis81
pathway component: ReactionCatalysis1879
pathway component: TransportCatalysis149
pathway component: ReactionCatalysis1890
pathway component: TransportCatalysis148
pathway component: TransportCatalysis147
pathway component: ReactionCatalysis1892
pathway component: ReactionCoupledTransport70
pathway component: TransportCatalysis146
pathway component: ReactionCatalysis1891
pathway component: TransportCatalysis145
pathway component: ReactionCatalysis1893
xref: Reference/SMPDB SMP0000652
xref: Reference/PathWhiz PW000628
organism: Homo sapiens

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

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

Reference/UniProt Q9UNQ0
type: UnificationXref
id: Q9UNQ0
db: UniProt

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

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

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

Mycophenolate mofetil
type: SmallMolecule
cellular location: Cytosol
entity reference: Mycophenolate mofetil

Compound/PW C040624 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: N-(2-Hydroxyethyl)-morpholine
stoichiometric coefficient: 1.0

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

Reference/ChemSpider 8204343
type: UnificationXref
id: 8204343
db: ChemSpider

Adenosine diphosphate
type: SmallMolecule
cellular location: Cell Membrane
entity reference: Adenosine diphosphate

Mycophenolic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: Mycophenolic acid
name: SubPathwayInhibitor

ChemicalStructure/PW C009457
type: ChemicalStructure
structure format: SMILES
structure data: COC1=C(C\C=C(/C)CCC(O)=O)C(O)=C2C(=O)OCC2=C1C

Reference/KEGG Compound C20380
type: UnificationXref
id: C20380
db: KEGG Compound

N-(2-Hydroxyethyl)-morpholine
type: SmallMolecule
cellular location: Endoplasmic Reticulum Lumen
entity reference: N-(2-Hydroxyethyl)-morpholine