ReactionCatalysis1133421
type: Catalysis
controller: 1-deoxyxylulose-5-phosphate synthase
controlled: Reaction1108663
control type: ACTIVATION

1-Deoxy-D-xylulose 5-phosphate
type: SmallMoleculeReference
xref: Reference/BioCyc DEOXYXYLULOSE-5P
xref: Reference/HMDB HMDB0001213
xref: Reference/CAS 190079-18-6
xref: Reference/KEGG Compound C11437
xref: Reference/ChemSpider 391473
xref: Reference/PubChem-compound 443201
xref: Reference/ChEBI CHEBI 16493
chemical formula: C5H11O7P
molecular weight: 214.02425
structure: ChemicalStructure/PW C000944

Compound/PW C001039 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Isopentenyl pyrophosphate
stoichiometric coefficient: 1.0

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

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

Reference/UniProt D1PLD9
type: UnificationXref
id: D1PLD9
db: UniProt

2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
type: SmallMolecule
entity reference: 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol

4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
type: SmallMolecule
entity reference: 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol

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

Reference/ChEBI CHEBI 16493
type: UnificationXref
id: CHEBI:16493
db: ChEBI

2-C-Methyl-D-erythritol-2,4-cyclodiphosphate
type: SmallMolecule
entity reference: 2-C-Methyl-D-erythritol-2,4-cyclodiphosphate

Cytidine triphosphate
type: SmallMolecule
entity reference: Cytidine triphosphate

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

Reference/HMDB HMDB0000095
type: UnificationXref
id: HMDB0000095
db: HMDB

Reference/ChEBI CHEBI 57919
type: UnificationXref
id: CHEBI:57919
db: ChEBI

Pyrophosphate
type: SmallMolecule
entity reference: Pyrophosphate

Reference/UniProt D1PJ02
type: UnificationXref
id: D1PJ02
db: UniProt

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

Reference/PubChem-compound 6131
type: UnificationXref
id: 6131
db: PubChem-compound

ReactionCatalysis1133431
type: Catalysis
controller: BRO family, N-terminal domain protein
controlled: 5.3.3.2
control type: ACTIVATION

Compound/PW C000064/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cytidine monophosphate
stoichiometric coefficient: 1.0

Compound/PW C000874/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dimethylallylpyrophosphate
stoichiometric coefficient: 1.0

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

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

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

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

ReactionCatalysis1133429
type: Catalysis
controller: 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate reductase
controlled: 1.17.1.2
control type: ACTIVATION

ReactionCatalysis1133427
type: Catalysis
controller: 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
controlled: 4.6.1.12
control type: ACTIVATION

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

ReactionCatalysis1133428
type: Catalysis
controller: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase (flavodoxin)
controlled: 1.17.7.1
control type: ACTIVATION

ReactionCatalysis1133425
type: Catalysis
controller: 4-diphosphocytidyl-2C-methyl-D-erythritol synthase
controlled: 2.7.7.60
control type: ACTIVATION

ReactionCatalysis1133426
type: Catalysis
controller: 4-diphosphocytidyl-2-C-methylerythritol kinase
controlled: 2.7.1.148
control type: ACTIVATION

ReactionCatalysis1133423
type: Catalysis
controller: 1-deoxy-D-xylulose 5-phosphate reductoisomerase
controlled: 1.1.1.267
control type: ACTIVATION

ReactionCatalysis1133442
type: Catalysis
controller: 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate reductase
controlled: Reaction1108683
control type: ACTIVATION

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

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

Reference/CAS 358-72-5
type: UnificationXref
id: 358-72-5
db: CAS

Reference/UniProt D1PLF2
type: UnificationXref
id: D1PLF2
db: UniProt

Compound/PW C001039/Stoichiometry/1.0
type: Stoichiometry
physical entity: Isopentenyl pyrophosphate
stoichiometric coefficient: 1.0

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

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

Reference/UniProt D1PLF4
type: UnificationXref
id: D1PLF4
db: UniProt

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

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

Reference/ChemSpider 274
type: UnificationXref
id: 274
db: ChemSpider

Secondary Metabolites: Methylerythritol Phosphate and Polyisoprenoid Biosynthesis
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway492111
pathway order: SubPathwayInteractionSteps/SubPathway492110
pathway component: SubPathwayInteraction492111
pathway component: SubPathwayInteraction492110
xref: Reference/SMPDB SMP0000974
xref: Reference/PathWhiz PW000958
name: SubPathway

Reference/PathWhiz PW000958
type: UnificationXref
id: PW000958
db: PathWhiz

Secondary Metabolites: Isoprenoid Biosynthesis (Nonmevalonate Pathway)
type: Pathway
pathway order: PathwayEnzymeReaction/6622120
pathway order: PathwayEnzymeReaction/6622097
pathway order: PathwayEnzymeReaction/6622102
pathway order: PathwayEnzymeReaction/6622112
pathway order: PathwayEnzymeReaction/6622115
pathway order: PathwayEnzymeReaction/6622103
pathway order: PathwayEnzymeReaction/6622118
pathway order: PathwayEnzymeReaction/6622109
pathway order: PathwaySubPathway/492112
pathway order: PathwayEnzymeReaction/6622096
pathway order: PathwaySubPathway/492111
pathway order: PathwaySubPathway/492110
pathway component: ReactionCatalysis1133421
pathway component: 1.17.7.1
pathway component: 1.17.1.2
pathway component: Reaction1108683
pathway component: Glycolysis and Pyruvate Dehydrogenase
pathway component: ReactionCatalysis1133442
pathway component: 5.3.3.2
pathway component: ReactionCatalysis1133431
pathway component: Reaction1108663
pathway component: 1.1.1.267
pathway component: 2.7.7.60
pathway component: 2.7.1.148
pathway component: 4.6.1.12
pathway component: ReactionCatalysis1133429
pathway component: ReactionCatalysis1133427
pathway component: ReactionCatalysis1133428
pathway component: Secondary Metabolites: Methylerythritol Phosphate and Polyisoprenoid Biosynthesis
pathway component: ReactionCatalysis1133425
pathway component: ReactionCatalysis1133426
pathway component: ReactionCatalysis1133423
xref: Reference/SMPDB SMP0450348
xref: Reference/PathWhiz PW467515
organism: Subdoligranulum variabile DSM 15176

1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate
type: SmallMolecule
entity reference: 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate

Reference/ChEBI CHEBI 58483
type: UnificationXref
id: CHEBI:58483
db: ChEBI

Reference/ChemSpider 709
type: UnificationXref
id: 709
db: ChemSpider

4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 57823
chemical formula: C14H23N3O14P2
molecular weight: 519.06665
structure: ChemicalStructure/PW C042937

Reference/TAXONOMY 411471
type: UnificationXref
id: 411471
db: TAXONOMY

NADPH
type: SmallMolecule
entity reference: NADPH

2-C-Methyl-D-erythritol-2,4-cyclodiphosphate
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 58483
chemical formula: C5H10O9P2
molecular weight: 275.98
structure: ChemicalStructure/PW C042939

1-Deoxy-D-xylulose 5-phosphate
type: SmallMolecule
entity reference: 1-Deoxy-D-xylulose 5-phosphate

2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 57919
chemical formula: C14H22N3O17P3
molecular weight: 597.0184
structure: ChemicalStructure/PW C042938

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

Reference/ChEBI CHEBI 57823
type: UnificationXref
id: CHEBI:57823
db: ChEBI

NADP
type: SmallMolecule
entity reference: NADP

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

Reference/CAS 63-37-6
type: UnificationXref
id: 63-37-6
db: CAS

D-Glyceraldehyde 3-phosphate
type: SmallMoleculeReference
xref: Reference/BioCyc GAP
xref: Reference/ChEBI CHEBI 17138
xref: Reference/HMDB HMDB0001112
xref: Reference/ChemSpider 709
xref: Reference/KEGG Compound C00661
xref: Reference/PubChem-compound 729
xref: Reference/CAS 591-59-3
chemical formula: C3H7O6P
molecular weight: 169.99803
structure: ChemicalStructure/PW C000869

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

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

Hydrogen Ion
type: SmallMolecule
entity reference: Hydrogen Ion

Reference/PathWhiz PW000785
type: UnificationXref
id: PW000785
db: PathWhiz

ChemicalStructure/PW C042609
type: ChemicalStructure
structure format: SMILES
structure data: [H][C@@](O)(COP(O)(O)=O)[C@@](C)(O)CO

Isopentenyl pyrophosphate
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00129
xref: Reference/ChemSpider 1158
xref: Reference/PubChem-compound 1195
xref: Reference/CAS 358-71-4
xref: Reference/HMDB HMDB0001347
xref: Reference/ChEBI CHEBI 16584
chemical formula: C5H12O7P2
molecular weight: 246.00583
structure: ChemicalStructure/PW C001039

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

Reference/KEGG Compound C00235
type: UnificationXref
id: C00235
db: KEGG Compound

Reference/ChEBI CHEBI 16057
type: UnificationXref
id: CHEBI:16057
db: ChEBI

Adenosine triphosphate
type: SmallMolecule
entity reference: Adenosine triphosphate

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

Compound/PW C000057/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cytidine triphosphate
stoichiometric coefficient: 1.0

Reference/CAS 124-38-9
type: UnificationXref
id: 124-38-9
db: CAS

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

Reference/KEGG Compound C00129
type: UnificationXref
id: C00129
db: KEGG Compound

Reference/ChemSpider 1158
type: UnificationXref
id: 1158
db: ChemSpider

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

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

Dimethylallylpyrophosphate
type: SmallMoleculeReference
xref: Reference/BioCyc CPD-4211
xref: Reference/PubChem-compound 647
xref: Reference/CAS 358-72-5
xref: Reference/ChemSpider 627
xref: Reference/HMDB HMDB0001120
xref: Reference/KEGG Compound C00235
xref: Reference/ChEBI CHEBI 16057
chemical formula: C5H12O7P2
molecular weight: 246.00583
structure: ChemicalStructure/PW C000874

Reference/SMPDB SMP0000974
type: UnificationXref
id: SMP0000974
db: SMPDB

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

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

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

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

an oxidized flavodoxin
type: SmallMoleculeReference

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

a reduced flavodoxin
type: SmallMoleculeReference

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

Compound/PW C000944/Stoichiometry/1.0
type: Stoichiometry
physical entity: 1-Deoxy-D-xylulose 5-phosphate
stoichiometric coefficient: 1.0

Reference/UniProt D1PKV4
type: UnificationXref
id: D1PKV4
db: UniProt

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

an oxidized flavodoxin
type: SmallMolecule
entity reference: an oxidized flavodoxin

a reduced flavodoxin
type: SmallMolecule
entity reference: a reduced flavodoxin

Glycolysis and Pyruvate Dehydrogenase
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway492112
pathway component: SubPathwayInteraction492112
xref: Reference/PathWhiz PW000785
xref: Reference/SMPDB SMP0000807
name: SubPathway

Reference/ChEBI CHEBI 17361
type: UnificationXref
id: CHEBI:17361
db: ChEBI

Reference/KEGG Compound C00011
type: UnificationXref
id: C00011
db: KEGG Compound

ChemicalStructure/PW C001316
type: ChemicalStructure
structure format: SMILES
structure data: O=C=O

Dimethylallylpyrophosphate
type: SmallMolecule
entity reference: Dimethylallylpyrophosphate
name: SubPathwayInput

Reference/PubChem-compound 443201
type: UnificationXref
id: 443201
db: PubChem-compound

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

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

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

Reference/ChEBI CHEBI 128753
type: UnificationXref
id: CHEBI:128753
db: ChEBI

Cytidine triphosphate
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 17677
xref: Reference/CAS 65-47-4
xref: Reference/PubChem-compound 6176
xref: Reference/KEGG Compound C00063
xref: Reference/ChemSpider 5941
xref: Reference/HMDB HMDB0000082
xref: Reference/BioCyc CTP
chemical formula: C9H16N3O14P3
molecular weight: 482.9845
structure: ChemicalStructure/PW C000057

Reference/ChEBI CHEBI 17138
type: UnificationXref
id: CHEBI:17138
db: ChEBI

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/SMPDB SMP0450348
type: UnificationXref
id: SMP0450348
db: SMPDB

D-Glyceraldehyde 3-phosphate
type: SmallMolecule
entity reference: D-Glyceraldehyde 3-phosphate
name: SubPathwayInput

Protein/81115/Stoichiometry/2.0
type: Stoichiometry
physical entity: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase
stoichiometric coefficient: 2.0

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

Isopentenyl pyrophosphate
type: SmallMolecule
entity reference: Isopentenyl pyrophosphate
name: SubPathwayInput

Cytidine monophosphate
type: SmallMolecule
entity reference: Cytidine monophosphate

Reference/BioCyc DEOXYXYLULOSE-5P
type: UnificationXref
id: DEOXYXYLULOSE-5P
db: BioCyc

Adenosine diphosphate
type: SmallMolecule
entity reference: Adenosine diphosphate

Reference/HMDB HMDB0001213
type: UnificationXref
id: HMDB0001213
db: HMDB

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

SubPathwayInteraction492112
type: Interaction
name: SubPathway492112Reaction
name: SubPathwayReaction
participant: D-Glyceraldehyde 3-phosphate

SubPathwayInteraction492111
type: Interaction
name: SubPathway492111Reaction
name: SubPathwayReaction
participant: Isopentenyl pyrophosphate

SubPathwayInteraction492110
type: Interaction
name: SubPathway492110Reaction
name: SubPathwayReaction
participant: Dimethylallylpyrophosphate

Subdoligranulum variabile DSM 15176
type: BioSource
xref: Reference/TAXONOMY 411471

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

Cytidine monophosphate
type: SmallMoleculeReference
xref: Reference/BioCyc CMP
xref: Reference/ChemSpider 5901
xref: Reference/PubChem-compound 6131
xref: Reference/ChEBI CHEBI 17361
xref: Reference/KEGG Compound C00055
xref: Reference/HMDB HMDB0000095
xref: Reference/CAS 63-37-6
chemical formula: C9H14N3O8P
molecular weight: 323.05185
structure: ChemicalStructure/PW C000064

Compound/PW C042938/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
stoichiometric coefficient: 1.0

Reaction1108683
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000146/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000874/Stoichiometry/1.0
participant stoichiometry: Compound/PW C042940/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000143/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034/Stoichiometry/1.0
right: Water
right: NADP
right: Dimethylallylpyrophosphate
spontaneous: false
left: 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate
left: Hydrogen Ion
left: NADPH
name: 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate + Hydrogen Ion + NADPH → Dimethylallylpyrophosphate + NADP + Water
conversion direction: LEFT_TO_RIGHT

Reference/PubChem-compound 647
type: UnificationXref
id: 647
db: PubChem-compound

Reference/SMPDB SMP0000807
type: UnificationXref
id: SMP0000807
db: SMPDB

Water
type: SmallMolecule
entity reference: Water

Reference/HMDB HMDB0001347
type: UnificationXref
id: HMDB0001347
db: HMDB

ChemicalStructure/PW C000057
type: ChemicalStructure
structure format: SMILES

Protein/81112/Stoichiometry/2.0
type: Stoichiometry
physical entity: 1-deoxy-D-xylulose-5-phosphate synthase
stoichiometric coefficient: 2.0

Reference/PathWhiz PW467515
type: UnificationXref
id: PW467515
db: PathWhiz

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

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

1-deoxy-D-xylulose-5-phosphate synthase
type: ProteinReference
xref: Reference/UniProt D1PKV4

1-deoxy-D-xylulose 5-phosphate reductoisomerase
type: ProteinReference
xref: Reference/UniProt D1PLF4

Bifunctional enzyme IspD/IspF
type: ProteinReference
xref: Reference/UniProt D1PLD9

4-diphosphocytidyl-2-C-methyl-D-erythritol kinase
type: ProteinReference
xref: Reference/UniProt D1PLS6

ChemicalStructure/PW C042939
type: ChemicalStructure
structure format: SMILES
structure data: [H][C@@]1(O)COP([O-])(=O)OP([O-])(=O)O[C@@]1(C)CO

4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase (flavodoxin)
type: ProteinReference
xref: Reference/UniProt D1PLF2

4-hydroxy-3-methylbut-2-enyl diphosphate reductase
type: ProteinReference
xref: Reference/UniProt D1PP74

BRO family, N-terminal domain protein
type: ProteinReference
xref: Reference/UniProt D1PJ02
organism: Subdoligranulum variabile DSM 15176

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

ChemicalStructure/PW C042937
type: ChemicalStructure
structure format: SMILES

ChemicalStructure/PW C042938
type: ChemicalStructure
structure format: SMILES

ChemicalStructure/PW C001034
type: ChemicalStructure
structure format: SMILES

Reference/HMDB HMDB0001112
type: UnificationXref
id: HMDB0001112
db: HMDB

ChemicalStructure/PW C000064
type: ChemicalStructure
structure format: SMILES

Compound/PW C000170/Stoichiometry/1.0
type: Stoichiometry
physical entity: Pyrophosphate
stoichiometric coefficient: 1.0

Protein/81114/Stoichiometry/3.0
type: Stoichiometry
physical entity: Bifunctional enzyme IspD/IspF
stoichiometric coefficient: 3.0

Reference/ChemSpider 5901
type: UnificationXref
id: 5901
db: ChemSpider

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

Compound/Generic97/Stoichiometry/1.0
type: Stoichiometry
physical entity: a reduced flavodoxin
stoichiometric coefficient: 1.0

ChemicalStructure/PW C042940
type: ChemicalStructure
structure format: SMILES
structure data: [H]\C(COP([O-])(=O)OP([O-])([O-])=O)=C(\C)CO

Reference/KEGG Compound C00055
type: UnificationXref
id: C00055
db: KEGG Compound

Compound/PW C042939/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-C-Methyl-D-erythritol-2,4-cyclodiphosphate
stoichiometric coefficient: 1.0

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

Reference/CAS 591-59-3
type: UnificationXref
id: 591-59-3
db: CAS

ChemicalStructure/PW C000944
type: ChemicalStructure
structure format: SMILES
structure data: CC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O

Compound/PW C001316/Stoichiometry/1.0
type: Stoichiometry
physical entity: Carbon dioxide
stoichiometric coefficient: 1.0

Reference/KEGG Compound C00063
type: UnificationXref
id: C00063
db: KEGG Compound

Compound/PW C042940/Stoichiometry/1.0
type: Stoichiometry
physical entity: 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate
stoichiometric coefficient: 1.0

Reference/HMDB HMDB0001120
type: UnificationXref
id: HMDB0001120
db: HMDB

Isopentenyl pyrophosphate
type: SmallMolecule
cellular location: Cytosol
entity reference: Isopentenyl pyrophosphate

Reference/BioCyc CPD-4211
type: UnificationXref
id: CPD-4211
db: BioCyc

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/ChEBI CHEBI 16526
type: UnificationXref
id: CHEBI:16526
db: ChEBI

BRO family, N-terminal domain protein
type: Protein
cellular location: Cytosol
entity reference: BRO family, N-terminal domain protein

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

Reference/CAS 65-47-4
type: UnificationXref
id: 65-47-4
db: CAS

Reference/ChemSpider 391473
type: UnificationXref
id: 391473
db: ChemSpider

Protein/81114/Stoichiometry/2.0
type: Stoichiometry
physical entity: Bifunctional enzyme IspD/IspF
stoichiometric coefficient: 2.0

1-deoxyxylulose-5-phosphate synthase
type: Complex
component stoichiometry: Protein/81112/Stoichiometry/2.0
component: 1-deoxy-D-xylulose-5-phosphate synthase

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

1-deoxy-D-xylulose 5-phosphate reductoisomerase
type: Complex
component stoichiometry: Protein/81113/Stoichiometry/2.0
component: 1-deoxy-D-xylulose 5-phosphate reductoisomerase

4-diphosphocytidyl-2C-methyl-D-erythritol synthase
type: Complex
component stoichiometry: Protein/81114/Stoichiometry/2.0
component: Bifunctional enzyme IspD/IspF

1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 128753
chemical formula: C5H9O8P2
molecular weight: 258.97726
structure: ChemicalStructure/PW C042940

4-diphosphocytidyl-2-C-methylerythritol kinase
type: Complex
component stoichiometry: Protein/81115/Stoichiometry/2.0
component: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase

Reference/CAS 358-71-4
type: UnificationXref
id: 358-71-4
db: CAS

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

Carbon dioxide
type: SmallMoleculeReference
xref: Reference/PubChem-compound 280
xref: Reference/ChEBI CHEBI 16526
xref: Reference/ChemSpider 274
xref: Reference/HMDB HMDB0001967
xref: Reference/CAS 124-38-9
xref: Reference/KEGG Compound C00011
chemical formula: CO2
molecular weight: 43.98983
structure: ChemicalStructure/PW C001316

Compound/PW C042937/Stoichiometry/1.0
type: Stoichiometry
physical entity: 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
stoichiometric coefficient: 1.0

2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
type: Complex
component stoichiometry: Protein/81114/Stoichiometry/3.0
component: Bifunctional enzyme IspD/IspF

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

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

Reference/PubChem-compound 729
type: UnificationXref
id: 729
db: PubChem-compound

1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate reductase
type: Complex
component stoichiometry: Protein/81117/Stoichiometry/2.0
component: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase

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

Reference/ChEBI CHEBI 17677
type: UnificationXref
id: CHEBI:17677
db: ChEBI

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

Reference/ChEBI CHEBI 15378
type: UnificationXref
id: CHEBI:15378
db: ChEBI

ChemicalStructure/PW C040034
type: ChemicalStructure
structure format: SMILES
structure data: [H+]

Reference/PubChem-compound 6176
type: UnificationXref
id: 6176
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/PubChem-compound 5886
type: UnificationXref
id: 5886
db: PubChem-compound

2-C-methyl-D-erythritol 4-phosphate
type: SmallMolecule
entity reference: 2-C-methyl-D-erythritol 4-phosphate

Compound/PW C000874 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dimethylallylpyrophosphate
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 16584
type: UnificationXref
id: CHEBI:16584
db: ChEBI

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

Reference/CAS 190079-18-6
type: UnificationXref
id: 190079-18-6
db: CAS

Reference/UniProt D1PP74
type: UnificationXref
id: D1PP74
db: UniProt

Reference/PubChem-compound 280
type: UnificationXref
id: 280
db: PubChem-compound

Protein/81117/Stoichiometry/2.0
type: Stoichiometry
physical entity: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase
stoichiometric coefficient: 2.0

Compound/PW C000869/Stoichiometry/1.0
type: Stoichiometry
physical entity: D-Glyceraldehyde 3-phosphate
stoichiometric coefficient: 1.0

4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase (flavodoxin)
type: Protein
entity reference: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase (flavodoxin)

4-diphosphocytidyl-2-C-methyl-D-erythritol kinase
type: Protein
entity reference: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase

Bifunctional enzyme IspD/IspF
type: Protein
entity reference: Bifunctional enzyme IspD/IspF

1-deoxy-D-xylulose 5-phosphate reductoisomerase
type: Protein
entity reference: 1-deoxy-D-xylulose 5-phosphate reductoisomerase

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

Reference/PubChem-compound 1195
type: UnificationXref
id: 1195
db: PubChem-compound

1-deoxy-D-xylulose-5-phosphate synthase
type: Protein
entity reference: 1-deoxy-D-xylulose-5-phosphate synthase

Reaction1108663
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001316/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000944/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000869/Stoichiometry/1.0
right: Carbon dioxide
right: 1-Deoxy-D-xylulose 5-phosphate
spontaneous: false
left: D-Glyceraldehyde 3-phosphate
left: Hydrogen Ion
name: D-Glyceraldehyde 3-phosphate + Hydrogen Ion → 1-Deoxy-D-xylulose 5-phosphate + Carbon dioxide
conversion direction: LEFT_TO_RIGHT

Reference/ChemSpider 5941
type: UnificationXref
id: 5941
db: ChemSpider

1.1.1.267
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000146/Stoichiometry/1.0
participant stoichiometry: Compound/PW C042609/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000143/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000944/Stoichiometry/1.0
right: NADP
right: 2-C-methyl-D-erythritol 4-phosphate
spontaneous: false
EC number: 1.1.1.267
left: Hydrogen Ion
left: NADPH
left: 1-Deoxy-D-xylulose 5-phosphate
name: 1-Deoxy-D-xylulose 5-phosphate + Hydrogen Ion + NADPH → 2-C-methyl-D-erythritol 4-phosphate + NADP
conversion direction: LEFT_TO_RIGHT

2.7.7.60
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000170/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000057/Stoichiometry/1.0
participant stoichiometry: Compound/PW C042609/Stoichiometry/1.0
participant stoichiometry: Compound/PW C042937/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034/Stoichiometry/1.0
right: 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
right: Pyrophosphate
spontaneous: false
EC number: 2.7.7.60
left: Cytidine triphosphate
left: Hydrogen Ion
left: 2-C-methyl-D-erythritol 4-phosphate
name: 2-C-methyl-D-erythritol 4-phosphate + Cytidine triphosphate + Hydrogen Ion → 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol + Pyrophosphate
conversion direction: LEFT_TO_RIGHT

2.7.1.148
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000414/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001034/Stoichiometry/1.0
participant stoichiometry: Compound/PW C042937/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034/Stoichiometry/1.0
participant stoichiometry: Compound/PW C042938/Stoichiometry/1.0
right: Adenosine diphosphate
right: Hydrogen Ion
right: 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
spontaneous: false
EC number: 2.7.1.148
left: 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
left: Adenosine triphosphate
name: 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol + Adenosine triphosphate → 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol + Adenosine diphosphate + Hydrogen Ion
conversion direction: LEFT_TO_RIGHT

4.6.1.12
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000064/Stoichiometry/1.0
participant stoichiometry: Compound/PW C042939/Stoichiometry/1.0
participant stoichiometry: Compound/PW C042938/Stoichiometry/1.0
right: Cytidine monophosphate
right: 2-C-Methyl-D-erythritol-2,4-cyclodiphosphate
spontaneous: false
EC number: 4.6.1.12
left: 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
name: 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol → 2-C-Methyl-D-erythritol-2,4-cyclodiphosphate + Cytidine monophosphate
conversion direction: LEFT_TO_RIGHT

ChemicalStructure/PW C001039
type: ChemicalStructure
structure format: SMILES
structure data: CC(=C)CCOP(O)(=O)OP(O)(O)=O

2-C-methyl-D-erythritol 4-phosphate
type: SmallMoleculeReference
chemical formula: C5H13O7P
molecular weight: 216.03989
structure: ChemicalStructure/PW C042609

ChemicalStructure/PW C000869
type: ChemicalStructure
structure format: SMILES
structure data: OC(COP(O)(O)=O)C=O

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

Reference/UniProt D1PLS6
type: UnificationXref
id: D1PLS6
db: UniProt

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

Compound/PW C042609/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-C-methyl-D-erythritol 4-phosphate
stoichiometric coefficient: 1.0

Compound/Generic96/Stoichiometry/1.0
type: Stoichiometry
physical entity: an oxidized flavodoxin
stoichiometric coefficient: 1.0

4-hydroxy-3-methylbut-2-enyl diphosphate reductase
type: Protein
entity reference: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase

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

1.17.7.1
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001420/Stoichiometry/1.0
participant stoichiometry: Compound/Generic97/Stoichiometry/1.0
participant stoichiometry: Compound/PW C042940/Stoichiometry/1.0
participant stoichiometry: Compound/PW C042939/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034/Stoichiometry/1.0
participant stoichiometry: Compound/Generic96/Stoichiometry/1.0
right: an oxidized flavodoxin
right: 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate
right: Water
right: Hydrogen Ion
spontaneous: false
EC number: 1.17.7.1
left: a reduced flavodoxin
left: 2-C-Methyl-D-erythritol-2,4-cyclodiphosphate
name: 2-C-Methyl-D-erythritol-2,4-cyclodiphosphate + a reduced flavodoxin → 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate + Hydrogen Ion + Water + an oxidized flavodoxin
conversion direction: LEFT_TO_RIGHT

1.17.1.2
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000146/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420/Stoichiometry/1.0
participant stoichiometry: Compound/PW C042940/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001039/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034/Stoichiometry/1.0
right: Water
right: NADPH
right: Isopentenyl pyrophosphate
spontaneous: false
EC number: 1.17.1.2
left: 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate
left: Hydrogen Ion
left: NADPH
name: 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate + Hydrogen Ion + NADPH → Isopentenyl pyrophosphate + NADPH + Water
conversion direction: LEFT_TO_RIGHT

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

5.3.3.2
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001039 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000874 Cytosol/Stoichiometry/1.0
right: Dimethylallylpyrophosphate
spontaneous: false
EC number: 5.3.3.2
left: Isopentenyl pyrophosphate
name: Isopentenyl pyrophosphate ↔ Dimethylallylpyrophosphate
conversion direction: REVERSIBLE

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

Reference/KEGG Compound C00661
type: UnificationXref
id: C00661
db: KEGG Compound

Carbon dioxide
type: SmallMolecule
entity reference: Carbon dioxide

Reference/HMDB HMDB0001967
type: UnificationXref
id: HMDB0001967
db: HMDB

Reference/ChemSpider 627
type: UnificationXref
id: 627
db: ChemSpider

ChemicalStructure/PW C000874
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)=CCO[P@](O)(=O)OP(O)(O)=O

Protein/81113/Stoichiometry/2.0
type: Stoichiometry
physical entity: 1-deoxy-D-xylulose 5-phosphate reductoisomerase
stoichiometric coefficient: 2.0

Reference/KEGG Compound C11437
type: UnificationXref
id: C11437
db: KEGG Compound

Reference/HMDB HMDB0000082
type: UnificationXref
id: HMDB0000082
db: HMDB