Reference/ChEBI CHEBI 16135
type: UnificationXref
id: CHEBI:16135
db: ChEBI

Reference/ChEBI CHEBI 177691 79383
type: UnificationXref
id: CHEBI:177691 79383
db: ChEBI

Acetyl-CoA
type: SmallMoleculeReference
xref: Reference/BioCyc ACETYL-COA
xref: Reference/PubChem-compound 444493
xref: Reference/HMDB HMDB0001206
xref: Reference/ChemSpider 392413
xref: Reference/CAS 72-89-9
xref: Reference/ChEBI CHEBI 15351
xref: Reference/KEGG Compound C00024
chemical formula: C23H38N7O17P3S
molecular weight: 809.1258
structure: ChemicalStructure/PW C000940

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

Reference/SMPDB SMP0248955
type: UnificationXref
id: SMP0248955
db: SMPDB

p-Cymene
type: SmallMoleculeReference
xref: Reference/KEGG Compound C06575
xref: Reference/PubChem-compound 7463
xref: Reference/ChemSpider 7183
xref: Reference/BioCyc CPD-1001
xref: Reference/HMDB HMDB0005805
xref: Reference/ChEBI CHEBI 28768
xref: Reference/CAS 99-87-6
chemical formula: C10H14
molecular weight: 134.10954
structure: ChemicalStructure/PW C002573

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

Isobutyric acid
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 16135
xref: Reference/HMDB HMDB0001873
xref: Reference/PubChem-compound 6590
xref: Reference/KEGG Compound C02632
xref: Reference/BioCyc ISOBUTANOATE
xref: Reference/CAS 79-31-2
xref: Reference/ChemSpider 6341
chemical formula: C4H8O2
molecular weight: 88.05243
structure: ChemicalStructure/PW C001245

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

FAD-dependent pyridine nucleotide-disulfide oxi
type: Protein
cellular location: Cytoplasm
entity reference: FAD-dependent pyridine nucleotide-disulfide oxi

Reference/ChEBI CHEBI 28122
type: UnificationXref
id: CHEBI:28122
db: ChEBI

Compound/PW C041101 Cytoplasm/Stoichiometry/2.0
type: Stoichiometry
physical entity: Oxidized ferredoxin
stoichiometric coefficient: 2.0

Reference/PubChem-compound 7463
type: UnificationXref
id: 7463
db: PubChem-compound

4-hydroxy-2-oxopentanoate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 4-hydroxy-2-oxopentanoate

Reference/ChEBI CHEBI 58222
type: UnificationXref
id: CHEBI:58222
db: ChEBI

Reference/ChEBI CHEBI 366706
type: UnificationXref
id: CHEBI:366706
db: ChEBI

ChemicalStructure/PW C016242
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)C1=CC=C(C=C1)C(O)=O

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

Acetaldehyde dehydrogenase
type: Protein
cellular location: Cytoplasm
entity reference: Acetaldehyde dehydrogenase

Reference/HMDB HMDB0001873
type: UnificationXref
id: HMDB0001873
db: HMDB

Reference/PubChem-compound 6816
type: UnificationXref
id: 6816
db: PubChem-compound

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

Cuminaldehyde
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0002214
xref: Reference/CAS 122-03-2
xref: Reference/BioCyc CPD-1003
xref: Reference/PubChem-compound 326
xref: Reference/ChemSpider 21106431
xref: Reference/ChEBI CHEBI 366706
xref: Reference/KEGG Compound C06577
chemical formula: C10H12O
molecular weight: 148.08882
structure: ChemicalStructure/PW C001498

4-Isopropylbenzyl alcohol
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 4-Isopropylbenzyl alcohol

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

Pyruvic acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 1060
xref: Reference/HMDB HMDB0000243
xref: Reference/CAS 127-17-3
xref: Reference/BioCyc PYRUVATE
xref: Reference/KEGG Compound C00022
xref: Reference/ChEBI CHEBI 32816
xref: Reference/ChemSpider 1031
chemical formula: C3H4O3
molecular weight: 88.016045
structure: ChemicalStructure/PW C000164

Reference/ChEBI CHEBI 17908
type: UnificationXref
id: CHEBI:17908
db: ChEBI

ChemicalStructure/PW C247530
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)C1=CC=C(C(O)=O)C(O)=C1O

ChemicalStructure/PW C247531
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)C(=O)\C=C/C(/C(O)=O)=C(/O)C(O)=O

Reference/KEGG Compound C02632
type: UnificationXref
id: C02632
db: KEGG Compound

ChemicalStructure/PW C247532
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)C(=O)\C=C/C=C(/O)C(O)=O

2-oxopent-4-enoate
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 11641
xref: Reference/KEGG Compound C00596
chemical formula: C5H5O3
molecular weight: 113.024414
structure: ChemicalStructure/PW C040748

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

4-hydroxy-2-oxopentanoate
type: SmallMoleculeReference
xref: Reference/KEGG Compound C03589
xref: Reference/ChEBI CHEBI 58222
chemical formula: C5H7O4
molecular weight: 131.03499
structure: ChemicalStructure/PW C040749

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

Compound/PW C001099 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Coenzyme A
stoichiometric coefficient: 1.0

2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate

Reduced ferredoxin
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Reduced ferredoxin

ChemicalStructure/PW C247528
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)C1=CC=C(CO)C=C1

ChemicalStructure/PW C247529
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)C1=CC=C([C@@H](O)[C@H]1O)C(O)=O

Carbon dioxide
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Carbon dioxide

Compound/PW C040749 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 4-hydroxy-2-oxopentanoate
stoichiometric coefficient: 1.0

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

4-hydroxy-2-oxovalerate aldolase
type: Protein
cellular location: Cytoplasm
entity reference: 4-hydroxy-2-oxovalerate aldolase

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

Compound/PW C001498 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cuminaldehyde
stoichiometric coefficient: 1.0

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

Reference/KEGG Compound C06575
type: UnificationXref
id: C06575
db: KEGG Compound

ChemicalStructure/PW C001099
type: ChemicalStructure
structure format: SMILES

Reference/CAS 536-66-3
type: UnificationXref
id: 536-66-3
db: CAS

p-Cymene
type: SmallMolecule
cellular location: Cytoplasm
entity reference: p-Cymene

Aldehyde dehydrogenase
type: Protein
cellular location: Cytoplasm
entity reference: Aldehyde dehydrogenase

Acetyl-CoA
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Acetyl-CoA
name: SubPathwayInput

Reference/SMPDB SMP0268792
type: UnificationXref
id: SMP0268792
db: SMPDB

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

Alpha/beta hydrolase fold protein
type: Protein
cellular location: Cytoplasm
entity reference: Alpha/beta hydrolase fold protein

Reference/PubChem-compound 326
type: UnificationXref
id: 326
db: PubChem-compound

Reference/ChEBI CHEBI 27628
type: UnificationXref
id: CHEBI:27628
db: ChEBI

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

Compound/PW C002573 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: p-Cymene
stoichiometric coefficient: 1.0

Reference/KEGG Compound C06578
type: UnificationXref
id: C06578
db: KEGG Compound

Reference/KEGG Compound C06579
type: UnificationXref
id: C06579
db: KEGG Compound

Reference/KEGG Compound C06576
type: UnificationXref
id: C06576
db: KEGG Compound

Reference/KEGG Compound C00596
type: UnificationXref
id: C00596
db: KEGG Compound

Reference/KEGG Compound C06577
type: UnificationXref
id: C06577
db: KEGG Compound

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

Reference/UniProt I7C9P0
type: UnificationXref
id: I7C9P0
db: UniProt

Reaction334008
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040749 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040748 Cytoplasm/Stoichiometry/1.0
right: 4-hydroxy-2-oxopentanoate
spontaneous: false
left: 2-oxopent-4-enoate
left: Water
name: 2-oxopent-4-enoate + Water ↔ 4-hydroxy-2-oxopentanoate
conversion direction: REVERSIBLE

Compound/PW C002573 Extracellular Space/Stoichiometry/1.0
type: Stoichiometry
physical entity: p-Cymene
stoichiometric coefficient: 1.0

Reaction334005
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001245 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247532 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040748 Cytoplasm/Stoichiometry/1.0
right: 2-oxopent-4-enoate
right: Isobutyric acid
spontaneous: false
left: 2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate
left: Water
name: 2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate + Water ↔ 2-oxopent-4-enoate + Isobutyric acid
conversion direction: REVERSIBLE

Reference/HMDB HMDB0001423
type: UnificationXref
id: HMDB0001423
db: HMDB

Reference/KEGG Compound C06581
type: UnificationXref
id: C06581
db: KEGG Compound

Reference/KEGG Compound C06582
type: UnificationXref
id: C06582
db: KEGG Compound

Reference/KEGG Compound C06580
type: UnificationXref
id: C06580
db: KEGG Compound

2,3-Dihydroxy-p-cumate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 2,3-Dihydroxy-p-cumate

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

TCA Cycle
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway256863
pathway component: SubPathwayInteraction256863
xref: Reference/PathWhiz PW270586
xref: Reference/SMPDB SMP0268792
name: SubPathway

Reaction334001
type: BiochemicalReaction
participant stoichiometry: Compound/PW C247531 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247532 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001316 Cytoplasm/Stoichiometry/1.0
right: 2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate
right: Carbon dioxide
spontaneous: false
left: 2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate
name: 2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate ↔ 2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate + Carbon dioxide
conversion direction: REVERSIBLE

Oxidized ferredoxin
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00139
xref: Reference/ChEBI CHEBI 17908

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

Reduced ferredoxin
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 17513
xref: Reference/KEGG Compound C00138

Fatty acid desaturase
type: Protein
cellular location: Cytoplasm
entity reference: Fatty acid desaturase

Compound/PW C040748 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-oxopent-4-enoate
stoichiometric coefficient: 1.0

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

Reference/ChEBI CHEBI 18242
type: UnificationXref
id: CHEBI:18242
db: ChEBI

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

Reference/UniProt I7C102
type: UnificationXref
id: I7C102
db: UniProt

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

Reference/ChemSpider 1031
type: UnificationXref
id: 1031
db: ChemSpider

Reference/UniProt I7C107
type: UnificationXref
id: I7C107
db: UniProt

4.1.3.39
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040749 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000164 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000784 Cytoplasm/Stoichiometry/1.0
right: Pyruvic acid
right: Acetaldehyde
spontaneous: false
EC number: 4.1.3.39
left: 4-hydroxy-2-oxopentanoate
name: 4-hydroxy-2-oxopentanoate ↔ Acetaldehyde + Pyruvic acid
conversion direction: REVERSIBLE

2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate

1.2.1.10
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001099 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000721 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000940 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000784 Cytoplasm/Stoichiometry/1.0
right: Hydrogen Ion
right: NADH
right: Acetyl-CoA
spontaneous: false
EC number: 1.2.1.10
left: Coenzyme A
left: NAD
left: Acetaldehyde
name: Acetaldehyde + Coenzyme A + NAD ↔ Acetyl-CoA + Hydrogen Ion + NADH
conversion direction: REVERSIBLE

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

Short-chain dehydrogenase/reductase SDR
type: Protein
cellular location: Cytoplasm
entity reference: Short-chain dehydrogenase/reductase SDR

Reference/PathWhiz PW250718
type: UnificationXref
id: PW250718
db: PathWhiz

Pseudomonas putida DOT-T1E
type: BioSource
xref: Reference/TAXONOMY 1196325

Reference/KEGG Compound C00139
type: UnificationXref
id: C00139
db: KEGG Compound

Reference/KEGG Compound C00138
type: UnificationXref
id: C00138
db: KEGG Compound

Compound/PW C040034 Cytoplasm/Stoichiometry/2.0
type: Stoichiometry
physical entity: Hydrogen Ion
stoichiometric coefficient: 2.0

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/CAS 99-87-6
type: UnificationXref
id: 99-87-6
db: CAS

Reference/ChemSpider 21106431
type: UnificationXref
id: 21106431
db: ChemSpider

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

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

Reference/PubChem-compound 10820
type: UnificationXref
id: 10820
db: PubChem-compound

Reference/KEGG Compound C00010
type: UnificationXref
id: C00010
db: KEGG Compound

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

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

Reference/UniProt I7CDX1
type: UnificationXref
id: I7CDX1
db: UniProt

Reference/HMDB HMDB0005805
type: UnificationXref
id: HMDB0005805
db: HMDB

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

Compound/PW C247528 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 4-Isopropylbenzyl alcohol
stoichiometric coefficient: 1.0

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

Reference/HMDB HMDB0001206
type: UnificationXref
id: HMDB0001206
db: HMDB

cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: cis-2,3-Dihydroxy-2,3-dihydro-p-cumate

Reference/UniProt I7CDX4
type: UnificationXref
id: I7CDX4
db: UniProt

Pyruvic acid
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Pyruvic acid

Compound/PW C016242 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 4-Isopropylbenzoic acid
stoichiometric coefficient: 1.0

Hydrogen Ion
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00080
xref: Reference/ChEBI CHEBI 15378
xref: Reference/HMDB HMDB0059597
xref: Reference/PubChem-compound 1038
xref: Reference/ChemSpider 1010
chemical formula: H
molecular weight: 1.007825
structure: ChemicalStructure/PW C040034

Isobutyric acid
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Isobutyric acid

Reference/PubChem-compound 6590
type: UnificationXref
id: 6590
db: PubChem-compound

Reference/KEGG Compound C00022
type: UnificationXref
id: C00022
db: KEGG Compound

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

Reference/KEGG Compound C00024
type: UnificationXref
id: C00024
db: KEGG Compound

Reference/HMDB HMDB0000243
type: UnificationXref
id: HMDB0000243
db: HMDB

Cymene and Cumate degradation
type: Pathway
pathway order: PathwayEnzymeReaction/4264544
pathway order: PathwayTransport/4264549
pathway order: PathwayEnzymeReaction/4264543
pathway order: PathwayEnzymeReaction/4264542
pathway order: PathwayEnzymeReaction/4242157
pathway order: PathwayEnzymeReaction/4264547
pathway order: PathwayEnzymeReaction/4241301
pathway order: PathwayEnzymeReaction/4264546
pathway order: PathwayEnzymeReaction/4265657
pathway order: PathwayEnzymeReaction/4241344
pathway order: PathwayEnzymeReaction/4264545
pathway order: PathwayEnzymeReaction/4242341
pathway order: PathwaySubPathway/256863
pathway component: ReactionCatalysis323360
pathway component: ReactionCatalysis323372
pathway component: Transport23471
pathway component: Reaction333984
pathway component: Reaction334008
pathway component: Reaction334005
pathway component: Reaction333996
pathway component: Reaction333999
pathway component: Reaction333988
pathway component: ReactionCatalysis323348
pathway component: 4.1.3.39
pathway component: ReactionCatalysis323379
pathway component: ReactionCatalysis323369
pathway component: ReactionCatalysis323345
pathway component: ReactionCatalysis323356
pathway component: TCA Cycle
pathway component: ReactionCatalysis323365
pathway component: 1.2.1.10
pathway component: Reaction334001
pathway component: ReactionCatalysis323363
pathway component: ReactionCatalysis323374
pathway component: Reaction333981
pathway component: ReactionCatalysis323352
pathway component: Reaction333992
xref: Reference/PathWhiz PW250718
xref: Reference/SMPDB SMP0248955
organism: Pseudomonas putida DOT-T1E

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

Hydratase/decarboxylase
type: Protein
cellular location: Cytoplasm
entity reference: Hydratase/decarboxylase

Coenzyme A
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Coenzyme A

Compound/PW C247529 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
stoichiometric coefficient: 1.0

ChemicalStructure/PW C040749
type: ChemicalStructure
structure format: SMILES
structure data: CC(O)CC(=O)C([O-])=O

ChemicalStructure/PW C040748
type: ChemicalStructure
structure format: SMILES
structure data: [O-]C(=O)C(=O)CC=C

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

Reference/PathWhiz PW270586
type: UnificationXref
id: PW270586
db: PathWhiz

Reference/ChEBI CHEBI 11641
type: UnificationXref
id: CHEBI:11641
db: ChEBI

ChemicalStructure/PW C000721
type: ChemicalStructure
structure format: SMILES

Compound/PW C000164 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Pyruvic acid
stoichiometric coefficient: 1.0

cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
type: SmallMoleculeReference
xref: Reference/PubChem-compound 8808
xref: Reference/ChEBI CHEBI 18242
xref: Reference/KEGG Compound C06579
chemical formula: C10H14O4
molecular weight: 198.0892
structure: ChemicalStructure/PW C247529

4-Isopropylbenzyl alcohol
type: SmallMoleculeReference
xref: Reference/PubChem-compound 8805
xref: Reference/ChEBI CHEBI 27628
xref: Reference/KEGG Compound C06576
chemical formula: C10H14O
molecular weight: 150.10446
structure: ChemicalStructure/PW C247528

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

ChemicalStructure/PW C001144
type: ChemicalStructure
structure format: SMILES

Compound/PW C041102 Cytoplasm/Stoichiometry/2.0
type: Stoichiometry
physical entity: Reduced ferredoxin
stoichiometric coefficient: 2.0

Reference/ChEBI CHEBI 1146900
type: UnificationXref
id: CHEBI:1146900
db: ChEBI

Reaction333996
type: BiochemicalReaction
participant stoichiometry: Compound/PW C040034 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247529 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247530 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000721 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144 Cytoplasm/Stoichiometry/1.0
right: Hydrogen Ion
right: 2,3-Dihydroxy-p-cumate
right: NADH
spontaneous: false
left: cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
left: NAD
name: NAD + cis-2,3-Dihydroxy-2,3-dihydro-p-cumate ↔ 2,3-Dihydroxy-p-cumate + Hydrogen Ion + NADH
conversion direction: REVERSIBLE

Reaction333999
type: BiochemicalReaction
participant stoichiometry: Compound/PW C247531 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001065 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247530 Cytoplasm/Stoichiometry/1.0
right: 2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate
spontaneous: false
left: Oxygen
left: 2,3-Dihydroxy-p-cumate
name: 2,3-Dihydroxy-p-cumate + Oxygen ↔ 2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate
conversion direction: REVERSIBLE

2,3-Dihydroxy-p-cumate
type: SmallMoleculeReference
xref: Reference/PubChem-compound 8809
xref: Reference/ChEBI CHEBI 16725 36647
xref: Reference/KEGG Compound C06580
chemical formula: C10H12O4
molecular weight: 196.07356
structure: ChemicalStructure/PW C247530

Reference/ChEBI CHEBI 28768
type: UnificationXref
id: CHEBI:28768
db: ChEBI

2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate
type: SmallMoleculeReference
xref: Reference/KEGG Compound C06582
xref: Reference/PubChem-compound 8811
chemical formula: C9H12O4
molecular weight: 184.07356
structure: ChemicalStructure/PW C247532

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

ReactionCatalysis323348
type: Catalysis
controller: Short-chain dehydrogenase/reductase SDR
controlled: Reaction333984
control type: ACTIVATION

2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 177691 79383
xref: Reference/KEGG Compound C06581
xref: Reference/PubChem-compound 8810
chemical formula: C10H12O6
molecular weight: 228.06339
structure: ChemicalStructure/PW C247531

ReactionCatalysis323345
type: Catalysis
controller: Fatty acid desaturase
controlled: Reaction333981
control type: ACTIVATION

2,3-dihydroxy-2,3-dihydro-p-cumate dehydrogenase
type: Protein
cellular location: Cytoplasm
entity reference: 2,3-dihydroxy-2,3-dihydro-p-cumate dehydrogenase

Compound/PW C000784 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Acetaldehyde
stoichiometric coefficient: 1.0

Reaction333992
type: BiochemicalReaction
participant stoichiometry: Compound/PW C016242 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 C247529 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000721 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144 Cytoplasm/Stoichiometry/1.0
right: cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
right: NAD
spontaneous: false
left: Oxygen
left: Hydrogen Ion
left: 4-Isopropylbenzoic acid
left: NADH
name: 4-Isopropylbenzoic acid + Hydrogen Ion + NADH + Oxygen ↔ NAD + cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
conversion direction: REVERSIBLE

Reference/ChEBI CHEBI 17513
type: UnificationXref
id: CHEBI:17513
db: ChEBI

Reference/BioCyc CO-A
type: UnificationXref
id: CO-A
db: BioCyc

Reference/CAS 72-89-9
type: UnificationXref
id: 72-89-9
db: CAS

Reference/ChemSpider 7183
type: UnificationXref
id: 7183
db: ChemSpider

Coenzyme A
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 1146900
xref: Reference/HMDB HMDB0001423
xref: Reference/PubChem-compound 6816
xref: Reference/BioCyc CO-A
xref: Reference/ChemSpider 6557
xref: Reference/CAS 85-61-0
xref: Reference/KEGG Compound C00010
chemical formula: C21H36N7O16P3S
molecular weight: 767.11523
structure: ChemicalStructure/PW C001099

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

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

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

Compound/PW C000940 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Acetyl-CoA
stoichiometric coefficient: 1.0

ReactionCatalysis323360
type: Catalysis
controller: 2,3-dihydroxy-2,3-dihydro-p-cumate dehydrogenase
controlled: Reaction333996
control type: ACTIVATION

2,3-dihydroxy-2,3-dihydro-p-cumate dehydrogenase
type: ProteinReference
xref: Reference/UniProt I7B4S4
organism: Pseudomonas putida DOT-T1E

Compound/PW C247530 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2,3-Dihydroxy-p-cumate
stoichiometric coefficient: 1.0

Reference/ChemSpider 6557
type: UnificationXref
id: 6557
db: ChemSpider

ChemicalStructure/PW C000940
type: ChemicalStructure
structure format: SMILES

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

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

Reference/HMDB HMDB0002214
type: UnificationXref
id: HMDB0002214
db: HMDB

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

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

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/CAS 127-17-3
type: UnificationXref
id: 127-17-3
db: CAS

ChemicalStructure/PW C001245
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)C(O)=O

ChemicalStructure/PW C002573
type: ChemicalStructure
structure format: SMILES
structure data: CC(C)C1=CC=C(C)C=C1

Aldehyde dehydrogenase
type: ProteinReference
xref: Reference/UniProt I7CA68
organism: Pseudomonas putida DOT-T1E

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

FAD-dependent pyridine nucleotide-disulfide oxi
type: ProteinReference
xref: Reference/UniProt I7CA72
organism: Pseudomonas putida DOT-T1E

Fatty acid desaturase
type: ProteinReference
organism: Pseudomonas putida DOT-T1E

ReactionCatalysis323369
type: Catalysis
controller: Alpha/beta hydrolase fold protein
controlled: Reaction334005
control type: ACTIVATION

Short-chain dehydrogenase/reductase SDR
type: ProteinReference
xref: Reference/UniProt I7B4R5
organism: Pseudomonas putida DOT-T1E

ReactionCatalysis323365
type: Catalysis
controller: Class II aldolase/adducin family protein
controlled: Reaction334001
control type: ACTIVATION

ReactionCatalysis323363
type: Catalysis
controller: Glyoxalase/bleomycin resistance protein/dioxygen
controlled: Reaction333999
control type: ACTIVATION

Reference/CAS 122-03-2
type: UnificationXref
id: 122-03-2
db: CAS

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

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

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

Reaction333984
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001498 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C247528 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000721 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144 Cytoplasm/Stoichiometry/1.0
right: Hydrogen Ion
right: Cuminaldehyde
right: NADH
spontaneous: false
left: 4-Isopropylbenzyl alcohol
left: NAD
name: 4-Isopropylbenzyl alcohol + NAD ↔ Cuminaldehyde + Hydrogen Ion + NADH
conversion direction: REVERSIBLE

ChemicalStructure/PW C000164
type: ChemicalStructure
structure format: SMILES
structure data: CC(=O)C(O)=O

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

Reaction333988
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001498 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C016242 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000721 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144 Cytoplasm/Stoichiometry/1.0
right: Hydrogen Ion
right: 4-Isopropylbenzoic acid
right: NADH
spontaneous: false
left: Water
left: Cuminaldehyde
left: NAD
name: Cuminaldehyde + NAD + Water ↔ 4-Isopropylbenzoic acid + Hydrogen Ion + NADH
conversion direction: REVERSIBLE

ChemicalStructure/PW C001498
type: ChemicalStructure
structure format: SMILES
structure data: [H]C(=O)C1=CC=C(C=C1)C(C)C

Acetaldehyde
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 15343
xref: Reference/KEGG Compound C00084
xref: Reference/CAS 75-07-0
xref: Reference/BioCyc ACETALD
xref: Reference/ChemSpider 172
xref: Reference/PubChem-compound 177
xref: Reference/HMDB HMDB0000990
chemical formula: C2H4O
molecular weight: 44.026215
structure: ChemicalStructure/PW C000784

4-hydroxy-2-oxovalerate aldolase
type: ProteinReference
xref: Reference/UniProt I7C107
organism: Pseudomonas putida DOT-T1E

ReactionCatalysis323356
type: Catalysis
controller: FAD-dependent pyridine nucleotide-disulfide oxi
controlled: Reaction333992
control type: ACTIVATION

Acetaldehyde dehydrogenase
type: ProteinReference
xref: Reference/UniProt I7CA81
organism: Pseudomonas putida DOT-T1E

SubPathwayInteraction256863
type: Interaction
name: SubPathwayReaction
name: SubPathway256863Reaction
participant: Acetyl-CoA

Alpha/beta hydrolase fold protein
type: ProteinReference
xref: Reference/UniProt I7CDX4
organism: Pseudomonas putida DOT-T1E

Hydratase/decarboxylase
type: ProteinReference
xref: Reference/UniProt I7C9P0
organism: Pseudomonas putida DOT-T1E

Glyoxalase/bleomycin resistance protein/dioxygen
type: ProteinReference
xref: Reference/UniProt I7CDX1
organism: Pseudomonas putida DOT-T1E

Reference/UniProt I7CA68
type: UnificationXref
id: I7CA68
db: UniProt

Class II aldolase/adducin family protein
type: ProteinReference
xref: Reference/UniProt I7C102
organism: Pseudomonas putida DOT-T1E

Reaction333981
type: BiochemicalReaction
participant stoichiometry: Compound/PW C041101 Cytoplasm/Stoichiometry/2.0
participant stoichiometry: Compound/PW C041102 Cytoplasm/Stoichiometry/2.0
participant stoichiometry: Compound/PW C001065 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034 Cytoplasm/Stoichiometry/2.0
participant stoichiometry: Compound/PW C247528 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Cytoplasm/Stoichiometry/1.0
participant stoichiometry: Compound/PW C002573 Cytoplasm/Stoichiometry/1.0
right: Water
right: 4-Isopropylbenzyl alcohol
right: Oxidized ferredoxin
spontaneous: false
left: Oxygen
left: Reduced ferredoxin
left: Hydrogen Ion
left: p-Cymene
name: 2 Hydrogen Ion + Oxygen + 2 Reduced ferredoxin + p-Cymene ↔ 4-Isopropylbenzyl alcohol + 2 Oxidized ferredoxin + Water
conversion direction: REVERSIBLE

ReactionCatalysis323352
type: Catalysis
controller: Aldehyde dehydrogenase
controlled: Reaction333988
control type: ACTIVATION

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

Reference/ChEBI CHEBI 16725 36647
type: UnificationXref
id: CHEBI:16725 36647
db: ChEBI

Reference/ChemSpider 392413
type: UnificationXref
id: 392413
db: ChemSpider

4-Isopropylbenzoic acid
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 4-Isopropylbenzoic acid

Reference/KEGG Compound C03589
type: UnificationXref
id: C03589
db: KEGG Compound

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

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

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

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

Compound/PW C247531 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate
stoichiometric coefficient: 1.0

Reference/TAXONOMY 1196325
type: UnificationXref
id: 1196325
db: TAXONOMY

Reference/PubChem-compound 8809
type: UnificationXref
id: 8809
db: PubChem-compound

Reference/PubChem-compound 8808
type: UnificationXref
id: 8808
db: PubChem-compound

Reference/KEGG Compound C00084
type: UnificationXref
id: C00084
db: KEGG Compound

Reference/CAS 75-07-0
type: UnificationXref
id: 75-07-0
db: CAS

Reference/PubChem-compound 8805
type: UnificationXref
id: 8805
db: PubChem-compound

Reference/UniProt I7CA72
type: UnificationXref
id: I7CA72
db: UniProt

Reference/ChemSpider 10363
type: UnificationXref
id: 10363
db: ChemSpider

Reference/ChemSpider 172
type: UnificationXref
id: 172
db: ChemSpider

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

Reference/ChEBI CHEBI 32816
type: UnificationXref
id: CHEBI:32816
db: ChEBI

Class II aldolase/adducin family protein
type: Protein
cellular location: Cytoplasm
entity reference: Class II aldolase/adducin family protein

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

Compound/PW C001245 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: Isobutyric acid
stoichiometric coefficient: 1.0

ReactionCatalysis323372
type: Catalysis
controller: Hydratase/decarboxylase
controlled: Reaction334008
control type: ACTIVATION

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

Compound/PW C247532 Cytoplasm/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate
stoichiometric coefficient: 1.0

Reference/BioCyc CPD-1001
type: UnificationXref
id: CPD-1001
db: BioCyc

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

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

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

Reference/BioCyc CPD-1003
type: UnificationXref
id: CPD-1003
db: BioCyc

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

Reference/HMDB HMDB0035268
type: UnificationXref
id: HMDB0035268
db: HMDB

Oxidized ferredoxin
type: SmallMolecule
cellular location: Cytoplasm
entity reference: Oxidized ferredoxin

Reference/UniProt I7B4R5
type: UnificationXref
id: I7B4R5
db: UniProt

Reference/UniProt I7CA81
type: UnificationXref
id: I7CA81
db: UniProt

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

ChemicalStructure/PW C000784
type: ChemicalStructure
structure format: SMILES
structure data: CC=O

ReactionCatalysis323379
type: Catalysis
controller: Acetaldehyde dehydrogenase
controlled: 1.2.1.10
control type: ACTIVATION

ReactionCatalysis323374
type: Catalysis
controller: 4-hydroxy-2-oxovalerate aldolase
controlled: 4.1.3.39
control type: ACTIVATION

2-oxopent-4-enoate
type: SmallMolecule
cellular location: Cytoplasm
entity reference: 2-oxopent-4-enoate

Reference/ChEBI CHEBI 15343
type: UnificationXref
id: CHEBI:15343
db: ChEBI

Glyoxalase/bleomycin resistance protein/dioxygen
type: Protein
cellular location: Cytoplasm
entity reference: Glyoxalase/bleomycin resistance protein/dioxygen

Reference/PubChem-compound 444493
type: UnificationXref
id: 444493
db: PubChem-compound

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

Reference/UniProt I7B4S4
type: UnificationXref
id: I7B4S4
db: UniProt

Reference/BioCyc ACETYL-COA
type: UnificationXref
id: ACETYL-COA
db: BioCyc

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

Reference/HMDB HMDB0000990
type: UnificationXref
id: HMDB0000990
db: HMDB

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

Reference/PubChem-compound 1060
type: UnificationXref
id: 1060
db: PubChem-compound

Transport23471
type: Transport
participant stoichiometry: Compound/PW C002573 Extracellular Space/Stoichiometry/1.0
participant stoichiometry: Compound/PW C002573 Cytoplasm/Stoichiometry/1.0
right: p-Cymene
spontaneous: false
left: p-Cymene
name: p-Cymene (→) Transport: Pseudomonas putida DOT-T1E, Cell, Extracellular Space to Pseudomonas putida DOT-T1E, Cell, Cytoplasm
conversion direction: LEFT_TO_RIGHT

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

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

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

p-Cymene
type: SmallMolecule
cellular location: Extracellular Space
entity reference: p-Cymene

Reference/PubChem-compound 8811
type: UnificationXref
id: 8811
db: PubChem-compound

Reference/PubChem-compound 177
type: UnificationXref
id: 177
db: PubChem-compound

Reference/ChEBI CHEBI 15351
type: UnificationXref
id: CHEBI:15351
db: ChEBI

Reference/PubChem-compound 8810
type: UnificationXref
id: 8810
db: PubChem-compound

Reference/CAS 79-31-2
type: UnificationXref
id: 79-31-2
db: CAS

Reference/ChemSpider 6341
type: UnificationXref
id: 6341
db: ChemSpider

4-Isopropylbenzoic acid
type: SmallMoleculeReference
xref: Reference/CAS 536-66-3
xref: Reference/ChemSpider 10363
xref: Reference/PubChem-compound 10820
xref: Reference/HMDB HMDB0035268
xref: Reference/KEGG Compound C06578
xref: Reference/ChEBI CHEBI 28122
chemical formula: C10H12O2
molecular weight: 164.08372
structure: ChemicalStructure/PW C016242

Reference/CAS 85-61-0
type: UnificationXref
id: 85-61-0
db: CAS

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