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

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

Reaction1816
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040517 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040481 Cytosol/Stoichiometry/1.0
right: Nornitrogen mustard
spontaneous: false
left: Carboxyphosphamide
name: Carboxyphosphamide → Nornitrogen mustard
conversion direction: LEFT_TO_RIGHT

Reaction1813
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001783 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009028 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001065 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C008615 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C008613 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytosol/Stoichiometry/1.0
right: 3-Dechloroethylifosfamide
right: Hydrogen peroxide
right: Chloroacetaldehyde
spontaneous: false
left: Oxygen
left: Cyclophosphamide
left: Water
name: Cyclophosphamide + Oxygen + Water → 3-Dechloroethylifosfamide + Chloroacetaldehyde + Hydrogen peroxide
conversion direction: LEFT_TO_RIGHT

Reference/UniProt P00352
type: UnificationXref
id: P00352
db: UniProt

Reaction1814
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000721 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040515 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C008612 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144 Cytosol/Stoichiometry/1.0
right: 4-Ketocyclophosphamide
right: NADH
spontaneous: false
left: NAD
left: 4-Hydroxycyclophosphamide
name: 4-Hydroxycyclophosphamide + NAD → 4-Ketocyclophosphamide + NADH
conversion direction: LEFT_TO_RIGHT

Compound/PW C040478 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Phosphoramide mustard
stoichiometric coefficient: 1.0

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

Compound/PW C008613 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-Dechloroethylifosfamide
stoichiometric coefficient: 1.0

Protein/194 Cytosol/Stoichiometry/4.0
type: Stoichiometry
physical entity: Retinal dehydrogenase 1
stoichiometric coefficient: 4.0

Reference/ChemSpider 29229
type: UnificationXref
id: 29229
db: ChemSpider

Reference/PubChem-compound 9533
type: UnificationXref
id: 9533
db: PubChem-compound

direct_interaction
type: InteractionVocabulary

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

ChemicalStructure/PW C008615
type: ChemicalStructure
structure format: SMILES
structure data: [H]C(=O)CCl

ChemicalStructure/PW C008612
type: ChemicalStructure
structure format: SMILES
structure data: OC1CCOP(=O)(N1)N(CCCl)CCCl

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

ChemicalStructure/PW C008613
type: ChemicalStructure
structure format: SMILES
structure data: ClCCNP1(=O)NCCCO1

ChemicalStructure/PW C009028
type: ChemicalStructure
structure format: SMILES
structure data: ClCCN(CCCl)P1(=O)NCCCO1

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

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

Unknown
type: ProteinReference

Compound/PW C000143 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADP
stoichiometric coefficient: 1.0

Reference/CAS 334-22-5
type: UnificationXref
id: 334-22-5
db: CAS

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

Reference/PubChem-compound 2907
type: UnificationXref
id: 2907
db: PubChem-compound

ChemicalStructure/PW C040477
type: ChemicalStructure
structure format: SMILES
structure data: NP(=O)(OCCC=O)N(CCCl)CCCl

Acrolein
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0041822
xref: Reference/CAS 107-02-8
xref: Reference/ChEBI CHEBI 15368
xref: Reference/KEGG Compound C01471
xref: Reference/ChemSpider 7559
xref: Reference/PubChem-compound 7847
chemical formula: C3H4O
molecular weight: 56.026215
structure: ChemicalStructure/PW C022605

Reference/CAS 35144-64-0
type: UnificationXref
id: 35144-64-0
db: CAS

Reference/HMDB HMDB0013856
type: UnificationXref
id: HMDB0013856
db: HMDB

ChemicalStructure/PW C040479
type: ChemicalStructure
structure format: SMILES
structure data: NP(O)(=O)[N]1(CCCl)CC1

ChemicalStructure/PW C040478
type: ChemicalStructure
structure format: SMILES
structure data: NP(O)(=O)N(CCCl)CCCl

Cytochrome P450 3A4
type: ProteinReference
xref: Reference/UniProt P08684
organism: BiologicalState31

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

Cytochrome P450 2B6
type: ProteinReference
xref: Reference/UniProt P20813
organism: BiologicalState31

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

Reference/ChEBI CHEBI 8163
type: UnificationXref
id: CHEBI:8163
db: ChEBI

Compound/PW C009028/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cyclophosphamide
stoichiometric coefficient: 1.0

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

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

Reference/SMPDB SMP0122835
type: UnificationXref
id: SMP0122835
db: SMPDB

Compound/PW C009028 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cyclophosphamide
stoichiometric coefficient: 1.0

Reference/UniProt P33261
type: UnificationXref
id: P33261
db: UniProt

ChemicalStructure/PW C040481
type: ChemicalStructure
structure format: SMILES
structure data: NP(=O)(OCCC(O)=O)N(CCCl)CCCl

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

Cytochrome P450 2A6
type: ProteinReference
xref: Reference/UniProt P11509
organism: BiologicalState31

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

Reference/CAS 50-18-0
type: UnificationXref
id: 50-18-0
db: CAS

Retinal dehydrogenase 1
type: Protein
cellular location: Cytosol
entity reference: Retinal dehydrogenase 1

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

Reference/KEGG Compound C07647
type: UnificationXref
id: C07647
db: KEGG Compound

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

Reference/KEGG Compound C07645
type: UnificationXref
id: C07645
db: KEGG Compound

Reference/KEGG Compound C00698
type: UnificationXref
id: C00698
db: KEGG Compound

Reference/KEGG Compound C07888
type: UnificationXref
id: C07888
db: KEGG Compound

Reference/KEGG Compound C07646
type: UnificationXref
id: C07646
db: KEGG Compound

Reference/KEGG Compound C07643
type: UnificationXref
id: C07643
db: KEGG Compound

Reference/CAS 27046-19-1
type: UnificationXref
id: 27046-19-1
db: CAS

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

Cytochrome P450 2C8
type: ProteinReference
xref: Reference/UniProt P10632
organism: BiologicalState31

Reference/KEGG Compound C07644
type: UnificationXref
id: C07644
db: KEGG Compound

Reference/HMDB HMDB0013860
type: UnificationXref
id: HMDB0013860
db: HMDB

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

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

Reference/CAS 107-20-0
type: UnificationXref
id: 107-20-0
db: CAS

Aldehyde dehydrogenase, dimeric NADP-preferring
type: ProteinReference
xref: Reference/UniProt P30838
organism: Homo sapiens

Reference/HMDB HMDB0013858
type: UnificationXref
id: HMDB0013858
db: HMDB

Reference/ChEBI CHEBI 1864
type: UnificationXref
id: CHEBI:1864
db: ChEBI

Chloride ion
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 17996
xref: Reference/BioCyc CPD-4521
xref: Reference/PubChem-compound 312
xref: Reference/KEGG Compound C00698
xref: Reference/HMDB HMDB0000492
xref: Reference/ChemSpider 306
xref: Reference/CAS 16887-00-6
chemical formula: Cl
molecular weight: 34.968853
structure: ChemicalStructure/PW C000374

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

Reference/UniProt P11712
type: UnificationXref
id: P11712
db: UniProt

Reference/ChEBI CHEBI 18308
type: UnificationXref
id: CHEBI:18308
db: ChEBI

Compound/PW C000374 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Chloride ion
stoichiometric coefficient: 1.0

4-Ketocyclophosphamide
type: SmallMoleculeReference
xref: Reference/ChemSpider 31058
xref: Reference/HMDB HMDB0060686
xref: Reference/CAS 27046-19-1
xref: Reference/PubChem-compound 33676
xref: Reference/KEGG Compound C07644
chemical formula: C7H13Cl2N2O3P
molecular weight: 274.0041
structure: ChemicalStructure/PW C040515

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

Nornitrogen mustard
type: SmallMoleculeReference
xref: Reference/KEGG Compound C16552
xref: Reference/ChemSpider 9160
xref: Reference/CAS 334-22-5
xref: Reference/ChEBI CHEBI 37599
xref: Reference/HMDB HMDB0060688
xref: Reference/PubChem-compound 9533
chemical formula: C4H9Cl2N
molecular weight: 141.0112
structure: ChemicalStructure/PW C040517

Cytochrome P450 2C9
type: ProteinReference
xref: Reference/UniProt P11712
organism: BiologicalState31

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

Reference/PubChem-compound 33676
type: UnificationXref
id: 33676
db: PubChem-compound

Cytochrome P450 2C19
type: ProteinReference
xref: Reference/UniProt P33261
organism: BiologicalState31

Phosphoramide mustard
type: SmallMolecule
cellular location: Nucleus
entity reference: Phosphoramide mustard

3-Dechloroethylifosfamide
type: SmallMolecule
cellular location: Cytosol
entity reference: 3-Dechloroethylifosfamide

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

ReactionCatalysis1470
type: Catalysis
controller: Cytochrome P450 2C9
controlled: 1.14.13.-
control type: ACTIVATION

Aldehyde dehydrogenase, dimeric NADP-preferring
type: Protein
cellular location: Cytosol
entity reference: Aldehyde dehydrogenase, dimeric NADP-preferring

Adenine
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0000034
xref: Reference/BioCyc ADENINE
xref: Reference/PubChem-compound 190
xref: Reference/ChemSpider 185
xref: Reference/KEGG Compound C00147
xref: Reference/ChEBI CHEBI 16708
xref: Reference/CAS 73-24-5
chemical formula: C5H5N5
molecular weight: 135.05449
structure: ChemicalStructure/PW C000024

ReactionCatalysis1472
type: Catalysis
controller: Cytochrome P450 2C19
controlled: 1.14.13.-
control type: ACTIVATION

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

ReactionCatalysis1471
type: Catalysis
controller: Cytochrome P450 2B6
controlled: 1.14.13.-
control type: ACTIVATION

ReactionCatalysis1474
type: Catalysis
controller: Cytochrome P450 2C8
controlled: 1.14.13.-
control type: ACTIVATION

ReactionCatalysis1473
type: Catalysis
controller: Cytochrome P450 3A4
controlled: 1.14.13.-
control type: ACTIVATION

ReactionCatalysis1475
type: Catalysis
controller: Cytochrome P450 2A6
controlled: 1.14.13.-
control type: ACTIVATION

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

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

Compound/PW C040481 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Carboxyphosphamide
stoichiometric coefficient: 1.0

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

Compound/PW C040478 Nucleus/Stoichiometry/1.0
type: Stoichiometry
physical entity: Phosphoramide mustard
stoichiometric coefficient: 1.0

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

4-Hydroxycyclophosphamide
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 4-Hydroxycyclophosphamide

Compound/PW C001144 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADH
stoichiometric coefficient: 1.0

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

ChemicalStructure/PW C000374
type: ChemicalStructure
structure format: SMILES
structure data: [Cl-]

Compound/PW C000146 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADPH
stoichiometric coefficient: 1.0

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

Compound/PW C009028 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cyclophosphamide
stoichiometric coefficient: 1.0

1.14.13.-
type: BiochemicalReaction
participant stoichiometry: Compound/PW C008612 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001065 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000146 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000143 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009028 Cytoplasm/Stoichiometry/1.0
right: Water
right: 4-Hydroxycyclophosphamide
right: NADP
spontaneous: false
EC number: 1.14.13.-
left: Oxygen
left: Hydrogen Ion
left: Cyclophosphamide
left: NADPH
name: Cyclophosphamide + Hydrogen Ion + NADPH + Oxygen → 4-Hydroxycyclophosphamide + NADP + Water
conversion direction: LEFT_TO_RIGHT

Compound/PW C008612 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: 4-Hydroxycyclophosphamide
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 27871
type: UnificationXref
id: CHEBI:27871
db: ChEBI

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

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

Compound/PW C012827 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Acrylic acid
stoichiometric coefficient: 1.0

Reference/PubChem-compound 312
type: UnificationXref
id: 312
db: PubChem-compound

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

Cyclophosphamide Action Pathway (New)
type: Pathway
pathway order: PathwayEnzymeReaction/2463873
pathway order: PathwayEnzymeReaction/2463950
pathway order: PathwayEnzymeReaction/2463872
pathway order: PathwayEnzymeReaction/2463871
pathway order: PathwayEnzymeReaction/2463870
pathway order: PathwayTransport/2463886
pathway order: PathwayTransport/2463887
pathway order: PathwayTransport/2463953
pathway order: PathwayEnzymeReaction/2463947
pathway order: PathwayEnzymeReaction/2463869
pathway order: PathwayEnzymeReaction/2463946
pathway order: PathwayEnzymeReaction/2463945
pathway order: PathwayEnzymeReaction/2463877
pathway order: PathwayEnzymeReaction/2463876
pathway order: PathwayEnzymeReaction/2463875
pathway order: PathwayEnzymeReaction/2463952
pathway order: PathwayEnzymeReaction/2463874
pathway order: PathwayEnzymeReaction/2463951
pathway order: PathwayEnzymeReaction/2463949
pathway order: PathwayEnzymeReaction/2463948
pathway order: PathwayInteraction/3364
pathway order: PathwayTransport/2533975
pathway order: PathwayTransport/2533976
pathway component: Reaction1816
pathway component: Reaction1813
pathway component: Reaction1814
pathway component: Transport11036
pathway component: Transport11037
pathway component: Interaction3364
pathway component: Transport11035
pathway component: Transport15771
pathway component: Transport15772
pathway component: 1.14.13.-
pathway component: ReactionCatalysis1485
pathway component: TransportCatalysis2191
pathway component: ReactionCatalysis1486
pathway component: 1.2.1.36
pathway component: Reaction1747
pathway component: ReactionCatalysis1557
pathway component: ReactionCatalysis1470
pathway component: ReactionCatalysis1492
pathway component: Reaction1745
pathway component: ReactionCatalysis1472
pathway component: ReactionCatalysis1471
pathway component: ReactionCatalysis1493
pathway component: 1.2.1.5
pathway component: ReactionCatalysis1474
pathway component: Reaction1741
pathway component: ReactionCatalysis1473
pathway component: ReactionCatalysis1553
pathway component: ReactionCatalysis1475
pathway component: Reaction1740
xref: Reference/SMPDB SMP0122835
xref: Reference/PathWhiz PW124171
organism: Homo sapiens

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

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

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

Compound/PW C000721 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: NAD
stoichiometric coefficient: 1.0

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

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

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

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

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

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

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/PubChem-compound 99735
type: UnificationXref
id: 99735
db: PubChem-compound

ChemicalStructure/PW C000024
type: ChemicalStructure
structure format: SMILES
structure data: NC1=C2NC=NC2=NC=N1

Compound/PW C040477 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Aldophosphamide
stoichiometric coefficient: 1.0

Reference/GENE ONTOLOGY GO 0005634
type: UnificationXref
id: GO:0005634
db: GENE ONTOLOGY

Reference/ChemSpider 2804
type: UnificationXref
id: 2804
db: ChemSpider

Adenine
type: SmallMolecule
cellular location: Nucleus
entity reference: Adenine

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

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

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

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

Reference/HMDB HMDB0061263
type: UnificationXref
id: HMDB0061263
db: HMDB

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

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

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

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

NADH
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0001487
xref: Reference/CAS 58-68-4
xref: Reference/PubChem-compound 439153
xref: Reference/BioCyc NADH
xref: Reference/ChemSpider 388299
xref: Reference/KEGG Compound C00004
xref: Reference/ChEBI CHEBI 16908
chemical formula: C21H29N7O14P2
molecular weight: 665.12476
structure: ChemicalStructure/PW C001144

Reference/KEGG Compound C01471
type: UnificationXref
id: C01471
db: KEGG Compound

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

Reference/HMDB HMDB0031647
type: UnificationXref
id: HMDB0031647
db: HMDB

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

TransportCatalysis2191
type: Catalysis
controller: Unknown
controlled: Transport11036
control type: ACTIVATION

Reference/ChEBI CHEBI 16708
type: UnificationXref
id: CHEBI:16708
db: ChEBI

Acrylic acid
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 18308
xref: Reference/HMDB HMDB0031647
xref: Reference/PubChem-compound 19966351
xref: Reference/ChemSpider 6333
xref: Reference/KEGG Compound C00511
xref: Reference/CAS 9003-01-4
chemical formula: C3H4O2
molecular weight: 72.021126
structure: ChemicalStructure/PW C012827

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

Compound/PW C008612 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 4-Hydroxycyclophosphamide
stoichiometric coefficient: 1.0

1.2.1.36
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040034 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040477 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040481 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000721 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144 Cytosol/Stoichiometry/1.0
right: Carboxyphosphamide
right: Hydrogen Ion
right: NADH
spontaneous: false
EC number: 1.2.1.36
left: NAD
left: Aldophosphamide
left: Water
name: Aldophosphamide + NAD + Water → Carboxyphosphamide + Hydrogen Ion + NADH
conversion direction: LEFT_TO_RIGHT

Reaction1747
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040478 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000374 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040479 Cytosol/Stoichiometry/1.0
right: Phosphoramide Aziridinium
right: Chloride ion
spontaneous: false
left: Phosphoramide mustard
name: Phosphoramide mustard → Chloride ion + Phosphoramide Aziridinium
conversion direction: LEFT_TO_RIGHT

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

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

Reference/KEGG Compound C00147
type: UnificationXref
id: C00147
db: KEGG Compound

ReactionCatalysis1557
type: Catalysis
controller: Cytochrome P450 3A4
controlled: Reaction1814
control type: ACTIVATION

Reference/GENE ONTOLOGY GO 0005615
type: UnificationXref
id: GO:0005615
db: GENE ONTOLOGY

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

Reaction1745
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040478 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040477 Cytosol/Stoichiometry/1.0
right: Phosphoramide mustard
spontaneous: false
left: Aldophosphamide
name: Aldophosphamide → Phosphoramide mustard
conversion direction: LEFT_TO_RIGHT

Reference/PubChem-compound 33
type: UnificationXref
id: 33
db: PubChem-compound

Compound/PW C040477 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: Aldophosphamide
stoichiometric coefficient: 1.0

1.2.1.5
type: BiochemicalReaction
participant stoichiometry: Compound/PW C012827 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C022605 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000721 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144 Cytosol/Stoichiometry/1.0
right: Hydrogen Ion
right: NADH
right: Acrylic acid
spontaneous: false
EC number: 1.2.1.5
left: NAD
left: Acrolein
left: Water
name: Acrolein + NAD + Water → Acrylic acid + Hydrogen Ion + NADH
conversion direction: LEFT_TO_RIGHT

Reaction1741
type: BiochemicalReaction
participant stoichiometry: Compound/PW C022605 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040477 Cytosol/Stoichiometry/1.0
right: Acrolein
spontaneous: false
left: Aldophosphamide
name: Aldophosphamide → Acrolein
conversion direction: LEFT_TO_RIGHT

ReactionCatalysis1553
type: Catalysis
controller: Cytochrome P450 3A4
controlled: Reaction1813
control type: ACTIVATION

Reference/CAS 73-24-5
type: UnificationXref
id: 73-24-5
db: CAS

Reaction1740
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040477 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C008612 Cytosol/Stoichiometry/1.0
right: Aldophosphamide
spontaneous: false
left: 4-Hydroxycyclophosphamide
name: 4-Hydroxycyclophosphamide ↔ Aldophosphamide
conversion direction: REVERSIBLE

Reference/CAS 107-02-8
type: UnificationXref
id: 107-02-8
db: CAS

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

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

ChemicalStructure/PW C000721
type: ChemicalStructure
structure format: SMILES

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

Reference/ChEBI CHEBI 37599
type: UnificationXref
id: CHEBI:37599
db: ChEBI

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

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

ChemicalStructure/PW C001144
type: ChemicalStructure
structure format: SMILES

Reference/CAS 22788-18-7
type: UnificationXref
id: 22788-18-7
db: CAS

Retinal dehydrogenase 1
type: Complex
component stoichiometry: Protein/194 Cytosol/Stoichiometry/4.0
cellular location: Cytosol
component: Retinal dehydrogenase 1

Cyclophosphamide
type: SmallMolecule
entity reference: Cyclophosphamide

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

BiologicalState31
type: BioSource
xref: Reference/TAXONOMY 9606
name: Homo sapiens, Liver
tissue: Liver

Reference/ChemSpider 96908
type: UnificationXref
id: 96908
db: ChemSpider

Compound/PW C008615 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Chloroacetaldehyde
stoichiometric coefficient: 1.0

ChemicalStructure/PW C012827
type: ChemicalStructure
structure format: SMILES
structure data: OC(=O)C=C

Reference/HMDB HMDB0000492
type: UnificationXref
id: HMDB0000492
db: HMDB

Reference/ChEBI CHEBI 17996
type: UnificationXref
id: CHEBI:17996
db: ChEBI

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

ChemicalStructure/PW C040517
type: ChemicalStructure
structure format: SMILES
structure data: ClCCNCCCl

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

ChemicalStructure/PW C040515
type: ChemicalStructure
structure format: SMILES
structure data: ClCCN(CCCl)P1(=O)NC(=O)CCO1

Reference/UniProt P30838
type: UnificationXref
id: P30838
db: UniProt

Cytochrome P450 2C9
type: Protein
cellular location: Cytoplasm
entity reference: Cytochrome P450 2C9

Reference/CAS 16887-00-6
type: UnificationXref
id: 16887-00-6
db: CAS

Reference/PubChem-compound 114861
type: UnificationXref
id: 114861
db: PubChem-compound

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

Reference/PubChem-compound 31515
type: UnificationXref
id: 31515
db: PubChem-compound

Cytochrome P450 2C8
type: Protein
cellular location: Cytoplasm
entity reference: Cytochrome P450 2C8

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

4-Hydroxycyclophosphamide
type: SmallMolecule
cellular location: Cytosol
entity reference: 4-Hydroxycyclophosphamide

Reference/HMDB HMDB0060433
type: UnificationXref
id: HMDB0060433
db: HMDB

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

Reference/PathWhiz PW124171
type: UnificationXref
id: PW124171
db: PathWhiz

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

Compound/PW C040477 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Aldophosphamide
stoichiometric coefficient: 1.0

Homo sapiens
type: BioSource
xref: Reference/TAXONOMY 9606

Reference/HMDB HMDB0014672
type: UnificationXref
id: HMDB0014672
db: HMDB

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

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

Interaction3364
type: MolecularInteraction
interaction type: direct_interaction
name: Phosphoramide mustard activates Adenine
participant: Phosphoramide mustard
participant: Adenine

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

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

Reference/HMDB HMDB0000034
type: UnificationXref
id: HMDB0000034
db: HMDB

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

Reference/PubChem-compound 96356
type: UnificationXref
id: 96356
db: PubChem-compound

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

Cytochrome P450 2C19
type: Protein
cellular location: Cytoplasm
entity reference: Cytochrome P450 2C19

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

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

Aldophosphamide
type: SmallMoleculeReference
xref: Reference/CAS 35144-64-0
xref: Reference/PubChem-compound 107744
xref: Reference/ChemSpider 96908
xref: Reference/HMDB HMDB0060433
xref: Reference/KEGG Compound C07645
chemical formula: C7H15Cl2N2O3P
molecular weight: 276.01974
structure: ChemicalStructure/PW C040477

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

Phosphoramide mustard
type: SmallMoleculeReference
xref: Reference/PubChem-compound 96356
xref: Reference/HMDB HMDB0060689
xref: Reference/KEGG Compound C07647
xref: Reference/CAS 10159-53-2
xref: Reference/ChemSpider 86980
xref: Reference/ChEBI CHEBI 8163
chemical formula: C4H11Cl2N2O2P
molecular weight: 219.99352
structure: ChemicalStructure/PW C040478

Phosphoramide Aziridinium
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0061263
chemical formula: C4H11ClN2O2P
molecular weight: 185.02467
structure: ChemicalStructure/PW C040479

Phosphoramide mustard
type: SmallMolecule
cellular location: Cytosol
entity reference: Phosphoramide mustard

Compound/PW C040479 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Phosphoramide Aziridinium
stoichiometric coefficient: 1.0

Reference/ChemSpider 306
type: UnificationXref
id: 306
db: ChemSpider

ChemicalStructure/PW C022605
type: ChemicalStructure
structure format: SMILES
structure data: C=CC=O

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

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

Reference/ChemSpider 90110
type: UnificationXref
id: 90110
db: ChemSpider

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

Reference/ChemSpider 102819
type: UnificationXref
id: 102819
db: ChemSpider

Nornitrogen mustard
type: SmallMolecule
cellular location: Cytosol
entity reference: Nornitrogen mustard

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

Carboxyphosphamide
type: SmallMoleculeReference
xref: Reference/CAS 22788-18-7
xref: Reference/PubChem-compound 31515
xref: Reference/HMDB HMDB0060449
xref: Reference/KEGG Compound C07646
xref: Reference/ChemSpider 29229
chemical formula: C7H15Cl2N2O4P
molecular weight: 292.01465
structure: ChemicalStructure/PW C040481

Reference/CAS 40277-05-2
type: UnificationXref
id: 40277-05-2
db: CAS

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

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

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

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

Reference/ChEBI CHEBI 15368
type: UnificationXref
id: CHEBI:15368
db: ChEBI

Compound/PW C009028 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cyclophosphamide
stoichiometric coefficient: 1.0

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

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

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

Cytochrome P450 2A6
type: Protein
cellular location: Cytoplasm
entity reference: Cytochrome P450 2A6

Reference/PubChem-compound 107744
type: UnificationXref
id: 107744
db: PubChem-compound

Compound/PW C040515 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: 4-Ketocyclophosphamide
stoichiometric coefficient: 1.0

Reference/PubChem-compound 19966351
type: UnificationXref
id: 19966351
db: PubChem-compound

Reference/ChemSpider 6333
type: UnificationXref
id: 6333
db: ChemSpider

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

Reference/KEGG Compound C00511
type: UnificationXref
id: C00511
db: KEGG Compound

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

Reference/CAS 9003-01-4
type: UnificationXref
id: 9003-01-4
db: CAS

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

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

Reference/CAS 36761-83-8
type: UnificationXref
id: 36761-83-8
db: CAS

Transport15771
type: Transport
participant stoichiometry: Compound/PW C009028 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C009028/Stoichiometry/1.0
right: Cyclophosphamide
spontaneous: false
left: Cyclophosphamide
name: Cyclophosphamide (→) Transport: Homo sapiens, Blood Vessel to Homo sapiens, Liver, Cell, Endoplasmic Reticulum Membrane
conversion direction: LEFT_TO_RIGHT

Transport15772
type: Transport
participant stoichiometry: Compound/PW C009028/Stoichiometry/1.0
right: Cyclophosphamide
spontaneous: false
left: Cyclophosphamide
name: Cyclophosphamide (→) Transport: Homo sapiens, Intestine to Homo sapiens, Blood Vessel
conversion direction: LEFT_TO_RIGHT

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

ReactionCatalysis1485
type: Catalysis
controller: Retinal dehydrogenase 1
controlled: 1.2.1.5
control type: ACTIVATION

ReactionCatalysis1486
type: Catalysis
controller: Aldehyde dehydrogenase, dimeric NADP-preferring
controlled: 1.2.1.5
control type: ACTIVATION

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

Reference/ChemSpider 31058
type: UnificationXref
id: 31058
db: ChemSpider

Unknown
type: Protein
entity reference: Unknown

Reference/KEGG Compound C16550
type: UnificationXref
id: C16550
db: KEGG Compound

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/KEGG Compound C16552
type: UnificationXref
id: C16552
db: KEGG Compound

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

Compound/PW C022605 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Acrolein
stoichiometric coefficient: 1.0

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

Reference/ChemSpider 21106502
type: UnificationXref
id: 21106502
db: ChemSpider

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

Reference/ChemSpider 9160
type: UnificationXref
id: 9160
db: ChemSpider

Chloride ion
type: SmallMolecule
cellular location: Cytosol
entity reference: Chloride ion

ReactionCatalysis1492
type: Catalysis
controller: Retinal dehydrogenase 1
controlled: 1.2.1.36
control type: ACTIVATION

Retinal dehydrogenase 1
type: ProteinReference
xref: Reference/UniProt P00352
organism: Homo sapiens

ReactionCatalysis1493
type: Catalysis
controller: Aldehyde dehydrogenase, dimeric NADP-preferring
controlled: 1.2.1.36
control type: ACTIVATION

Reference/CAS 10159-53-2
type: UnificationXref
id: 10159-53-2
db: CAS

Reference/BioCyc CPD-4521
type: UnificationXref
id: CPD-4521
db: BioCyc

4-Ketocyclophosphamide
type: SmallMolecule
cellular location: Cytosol
entity reference: 4-Ketocyclophosphamide

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

Cytochrome P450 3A4
type: Protein
cellular location: Cytosol
entity reference: Cytochrome P450 3A4

Reference/KEGG Compound C06754
type: UnificationXref
id: C06754
db: KEGG Compound

Transport11036
type: Transport
participant stoichiometry: Compound/PW C040477 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040477 Cytosol/Stoichiometry/1.0
right: Aldophosphamide
spontaneous: false
left: Aldophosphamide
name: Aldophosphamide (→) Transport: Homo sapiens, Blood Vessel, Cell, Extracellular Space to Homo sapiens, Cell, Cytosol
conversion direction: LEFT_TO_RIGHT

Transport11037
type: Transport
participant stoichiometry: Compound/PW C040478 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040478 Nucleus/Stoichiometry/1.0
right: Phosphoramide mustard
spontaneous: false
left: Phosphoramide mustard
name: Phosphoramide mustard (→) Transport: Homo sapiens, Cell, Cytosol to Homo sapiens, Cell, Nucleus
conversion direction: LEFT_TO_RIGHT

4-Hydroxycyclophosphamide
type: SmallMoleculeReference
xref: Reference/ChemSpider 90110
xref: Reference/PubChem-compound 99735
xref: Reference/HMDB HMDB0013856
xref: Reference/ChEBI CHEBI 1864
xref: Reference/CAS 40277-05-2
xref: Reference/KEGG Compound C07643
chemical formula: C7H15Cl2N2O3P
molecular weight: 276.01974
structure: ChemicalStructure/PW C008612

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

Cyclophosphamide
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 4027
xref: Reference/CAS 50-18-0
xref: Reference/HMDB HMDB0014672
xref: Reference/KEGG Compound C07888
xref: Reference/PubChem-compound 2907
xref: Reference/ChemSpider 2804
chemical formula: C7H15Cl2N2O2P
molecular weight: 260.0248
structure: ChemicalStructure/PW C009028

Transport11035
type: Transport
participant stoichiometry: Compound/PW C040477 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040477 Extracellular Space/Stoichiometry/1.0
right: Aldophosphamide
spontaneous: false
left: Aldophosphamide
name: Aldophosphamide (→) Transport: Homo sapiens, Liver, Cell, Endoplasmic Reticulum Membrane to Homo sapiens, Blood Vessel, Cell, Extracellular Space
conversion direction: LEFT_TO_RIGHT

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

Chloroacetaldehyde
type: SmallMoleculeReference
xref: Reference/CAS 107-20-0
xref: Reference/PubChem-compound 33
xref: Reference/KEGG Compound C06754
xref: Reference/HMDB HMDB0013860
xref: Reference/ChEBI CHEBI 27871
xref: Reference/ChemSpider 21106502
chemical formula: C2H3ClO
molecular weight: 77.98724
structure: ChemicalStructure/PW C008615

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

Phosphoramide Aziridinium
type: SmallMolecule
cellular location: Cytosol
entity reference: Phosphoramide Aziridinium

3-Dechloroethylifosfamide
type: SmallMoleculeReference
xref: Reference/KEGG Compound C16550
xref: Reference/PubChem-compound 114861
xref: Reference/CAS 36761-83-8
xref: Reference/HMDB HMDB0013858
xref: Reference/ChemSpider 102819
xref: Reference/ChEBI CHEBI 238115
chemical formula: C5H12ClN2O2P
molecular weight: 198.03249
structure: ChemicalStructure/PW C008613

Reference/PubChem-compound 190
type: UnificationXref
id: 190
db: PubChem-compound

Reference/HMDB HMDB0060689
type: UnificationXref
id: HMDB0060689
db: HMDB

Reference/HMDB HMDB0060449
type: UnificationXref
id: HMDB0060449
db: HMDB

Cytochrome P450 2B6
type: Protein
cellular location: Cytoplasm
entity reference: Cytochrome P450 2B6

Reference/HMDB HMDB0060686
type: UnificationXref
id: HMDB0060686
db: HMDB

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

Reference/HMDB HMDB0060688
type: UnificationXref
id: HMDB0060688
db: HMDB

Nucleus
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0005634

Cytochrome P450 3A4
type: Protein
cellular location: Cytoplasm
entity reference: Cytochrome P450 3A4

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

Reference/HMDB HMDB0041822
type: UnificationXref
id: HMDB0041822
db: HMDB

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

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

Compound/PW C040517 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Nornitrogen mustard
stoichiometric coefficient: 1.0

Reference/ChemSpider 7559
type: UnificationXref
id: 7559
db: ChemSpider

Reference/PubChem-compound 7847
type: UnificationXref
id: 7847
db: PubChem-compound

Reference/ChEBI CHEBI 4027
type: UnificationXref
id: CHEBI:4027
db: ChEBI

Reference/ChemSpider 185
type: UnificationXref
id: 185
db: ChemSpider

Reference/ChEBI CHEBI 238115
type: UnificationXref
id: CHEBI:238115
db: ChEBI

Reference/ChemSpider 86980
type: UnificationXref
id: 86980
db: ChemSpider