Nicotinamide ribotide (CED0002904)

Record Information

Version

1.0

Creation Date

2016-05-25 18:10:30 UTC

Update Date

2026-04-03 00:19:54 UTC

SynCED ID

CED0002904

Secondary Accession Numbers

CHEM021707

Identification

Common Name

Nicotinamide ribotide

Class

Small Molecule

Description

Nicotinamide ribotide is an organic compound with the formula C11H15N2O8P and an average molecular weight of 334.22 g/mol. Nicotinamide ribotide belongs to the nicotinamide nucleotides, a subclass of pyridine nucleotides within the organic compounds. It is recorded as being released from two sources: food, food processing and cookware (specifically the preparation of vinegar) and electrical and electronic equipment (specifically hybrid capacitors). Biologically, the compound acts as a metabolite (PMC11279976 ) and functions as an antioxidant in both biological and industrial roles (PMC12639781 ). Regarding health effects, nicotinamide ribotide is used as a treatment for osteoporosis and cancer (PMC11279976 ). Additionally, it is associated with inflammation (PMC11279976 ) and is noted to have a therapeutic effect on obesity (PMC11279976 ).

Contaminant Type

Not Available

Chemical Structure

MOL SDF 3D SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
3-(Aminocarbonyl)-1-(5-O-phosphonato-beta-D-ribofuranosyl)pyridinium	ChEBI
3-(Aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium, inner salt	ChEBI
beta-Nicotinamide D-ribonucleotide	ChEBI
beta-Nicotinamide mononucleotide	ChEBI
beta-Nicotinamide ribonucleotide	ChEBI
Nicotinamide D-ribonucleotide	ChEBI
Nicotinamide mononucleotide	ChEBI
Nicotinamide nucleotide	ChEBI
Nicotinamide ribonucleotide	ChEBI
NMN	ChEBI
3-(Aminocarbonyl)-1-(5-O-phosphonato-b-D-ribofuranosyl)pyridinium	Generator
3-(Aminocarbonyl)-1-(5-O-phosphonato-β-D-ribofuranosyl)pyridinium	Generator
3-(Aminocarbonyl)-1-(5-O-phosphono-b-D-ribofuranosyl)pyridinium, inner salt	Generator
3-(Aminocarbonyl)-1-(5-O-phosphono-β-D-ribofuranosyl)pyridinium, inner salt	Generator
b-Nicotinamide D-ribonucleotide	Generator
Β-nicotinamide D-ribonucleotide	Generator
b-Nicotinamide mononucleotide	Generator
Β-nicotinamide mononucleotide	Generator
b-Nicotinamide ribonucleotide	Generator
Β-nicotinamide ribonucleotide	Generator
Mononucleotide, nicotinamide	MeSH
3-(Aminocarbonyl)-1-(5-O-phosphono-b-D-ribofuranosyl)-pyridinium hydroxide inner salt	HMDB
3-(Aminocarbonyl)-1-(5-O-phosphono-b-D-ribofuranosyl)-pyridinium inner salt	HMDB
3-(Aminocarbonyl)-1-(5-O-phosphono-beta-delta-ribofuranosyl)-pyridinium hydroxide inner salt	HMDB
3-(Aminocarbonyl)-1-(5-O-phosphono-beta-delta-ribofuranosyl)-pyridinium inner salt	HMDB
3-Carbamoyl-1-b-D-ribofuranosylpyridinium hydroxide 5'-phosphate inner salt	HMDB
3-Carbamoyl-1-beta-delta-ribofuranosylpyridinium hydroxide 5'-phosphate inner salt	HMDB
b-D-NMN	HMDB
b-NMN	HMDB
beta-delta-NMN	HMDB
beta-NMN	HMDB
Nicotinamide ribonucleoside 5'-phosphate	HMDB
Bibenzoyl	HMDB
Diphenylethanedione	HMDB
Diphenylglyoxal	HMDB
1,2-Diphenylethane-1,2-dione	HMDB
Diphenylethane-1,2-dione	HMDB
Diphenyl-alpha-beta-ketone	HMDB
Phosphatidylinositol 4,5-bisphosphoric acid	HMDB
Diadenosine triphosphoric acid	HMDB
Adenosine (5')triphospho(5')adenosine	HMDB
Adenosine 5'-triphosphate 5'-adenosine	HMDB
Adenosine(3)triphosphate adenosine	HMDB
Adenosine(5')triphospho(5')adenosine	HMDB
Bis(adenosine)-5'-triphosphate	HMDB
p(1),p(3)-Bis(5'-adenosyl) trihydrogen triphosphate	HMDB
p(1),p(3)-Bis(5'-adenosyl) triphosphate	HMDB
p(1)-p(3)-Bis(5'-adenosyl) triphosphate	HMDB
P1,P3-Bis(5'-adenosyl) triphosphate	HMDB
Ap3a	HMDB
5'Ap3a	HMDB
p(1),(P3)-Bis(5'-adenosyl)triphosphate	HMDB
ApppA	HMDB
Tetrahydrofolate	HMDB
(6S)-Tetrahydrofolate	HMDB
(6S)-Tetrahydrofolic acid	HMDB
5,6,7,8-Tetrahydrofolate	HMDB
5,6,7,8-Tetrahydrofolic acid	HMDB
Tetra-H-folate	HMDB
Tetrahydrafolate	HMDB
Tetrahydropteroyl mono-L-glutamate	HMDB
Tetrahydropteroylglutamate	HMDB
1,4-Butanediamine	HMDB
1,4-Butylenediamine	HMDB
1,4-DIAMINOBUTANE	HMDB
1,4-Tetramethylenediamine	HMDB
Butane-1,4-diamine	HMDB
Butylenediamine	HMDB
H2N(CH2)4nh2	HMDB
Putrescin	HMDB
Putrescina	HMDB
Putreszin	HMDB
Tetramethylendiamin	HMDB
Tetramethylenediamine	HMDB
1,4-Butanediammonium	HMDB
Tetramethyldiamine	HMDB
1,4 Diaminobutane	HMDB
1,4 Butanediamine	HMDB

Chemical Formula

C₁₁H₁₅N₂O₈P

Average Molecular Mass

334.219 g/mol

Monoisotopic Mass

334.057 g/mol

CAS Registry Number

1094-61-7

IUPAC Name

3-carbamoyl-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1lambda5-pyridin-1-ylium

Traditional Name

3-carbamoyl-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1lambda5-pyridin-1-ylium

SMILES

NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1

InChI Key

DAYLJWODMCOQEW-TURQNECASA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as nicotinamide nucleotides. These are pyridine nucleotides, in which the pyridine base is nicotinamide or a derivative thereof.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyridine nucleotides

Sub Class

Nicotinamide nucleotides

Direct Parent

Nicotinamide nucleotides

Alternative Parents

Substituents

Nicotinamide-nucleotide
Pentose-5-phosphate
Pentose phosphate
Glycosyl compound
N-glycosyl compound
Pentose monosaccharide
Monosaccharide phosphate
Nicotinamide
Pyridine carboxylic acid or derivatives
Monosaccharide
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Pyridinium
Pyridine
Heteroaromatic compound
Vinylogous amide
Tetrahydrofuran
1,2-diol
Carboxamide group
Secondary alcohol
Primary carboxylic acid amide
Azacycle
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organic zwitterion
Alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

nicotinamide mononucleotide (CHEBI:16171 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

coenzyme (PMC10992250 )?
metabolite (PMC11279976 , PMC8035330 )?A chemical produced during metabolism process, as an intermediate or end-product
antioxidant (PMC12639781 , PMC12639781 )?

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	4.16 g/L	ALOGPS
logP	-1.5	ALOGPS
logP	-6.2	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	1.21	ChemAxon
pKa (Strongest Basic)	-1.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	166.25 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	70.59 m³·mol⁻¹	ChemAxon
Polarizability	28.77 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-006t-8902000000-75d46c23151f03298e05	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-01b9-4920300000-f0eec1327b9e3e217fdd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-1931000000-5aa0e5ba467b6bdbb57f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00dj-6920000000-4720b1b8ab108dc1b499	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00mk-8903000000-042bd96d57e63adafe44	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-3900000000-013c2f02e48342e61b5e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-3900000000-013c2f02e48342e61b5e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-1109000000-7e48df4297f6933ffc64	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-002b-7419000000-c70e04daa2249a30318c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0005-9600000000-ec07884c9a438ebdba5a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-1009000000-623a45d318f08c622565	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9002000000-a9b586e58b5858c6d213	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0032-9000000000-3fde5442f77c9f4b54b3	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
6446.0 Log mg/kg [3600:11000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
inflammation	Associated With?	Not Available	Not Available	PMC11279976
inflammation	Has Therapeutic Effect On	Not Available	Not Available	PMC9823503 , PMC9823503
cancer	Not Available	Not Available	Cancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.	PMC11279976
drowsiness	Has Therapeutic Effect On	Not Available	A state of sleepiness or lethargy.	PMC9823503
osteoporosis	Not Available	Not Available	A disorder characterized by reduced bone mass, with a decrease in cortical thickness and in the number and size of the trabeculae of cancellous bone (but normal chemical composition), resulting in increased fracture incidence. (NCI CTCAE)	PMC11279976
fatigue	Has Therapeutic Effect On	Not Available	A disorder characterized by a state of generalized weakness with a pronounced inability to summon sufficient energy to accomplish daily activities. (NCI CTCAE)	PMC9823503
diabetes mellitus	Not Available	Not Available	A glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)	PMC10992250
obesity	Has Therapeutic Effect On	Not Available	A disorder characterized by having a high amount of body fat. (NCI CTCAE)	PMC11279976
obesity	Not Available	Not Available	A disorder characterized by having a high amount of body fat. (NCI CTCAE)	PMC10992250
pneumonia	Has Therapeutic Effect On	Not Available	A lung disease that involves lung parenchyma or alveolar inflammation and abnormal alveolar filling with fluid (consolidation and exudation). It results from a variety of causes including infection with bacteria, viruses, fungi or parasites, and chemical or physical injury to the lungs. It is accompanied by fever, chills, cough, and difficulty in breathing. (DO)	PMC9823503
pheochromocytoma	Is Biomarker Of	Not Available	A neuroendocrine tumor of the medullar of the adrenal glands or extra-adrenal chromaffin tissue.	PMC12012022
Silicosis	Has Therapeutic Effect On	Not Available	Not Available	PMC9823503
Silicosis	Not Available	Not Available	Not Available	PMC9823503
Abnormality of mitochondrial metabolism	Has Therapeutic Effect On	Not Available	Not Available	PMC11117624
Oxidative Stress	Associated With?	Not Available	Not Available	PMC11279976
Oxidative Stress	Elevated in Blood In	Not Available	Not Available	PMC13440580
Oxidative Stress	Has Therapeutic Effect On	Not Available	Not Available	PMC9823503 , PMC9823503
disease of metabolism	Not Available	Not Available	Not Available	PMC11279976
disease of metabolism	Has Therapeutic Effect On	Not Available	Not Available	PMC11279976
nervous system disorder	Not Available	Not Available	Not Available	PMC11279976 , PMC10992250
metabolic disease	Has Therapeutic Effect On	Not Available	Not Available	PMC11279976 , PMC11279976
Lung Injury	Has Therapeutic Effect On	Not Available	Not Available	PMC9823503 , PMC9823503
Aging	Has Therapeutic Effect On	Not Available	Not Available	PMC11279976 , PMC11279976
acute kidney injury	Has Therapeutic Effect On	Not Available	Not Available	PMC12677664
Cardiotoxicity	Has Therapeutic Effect On	Not Available	Not Available	PMC9823503
Mental deterioration	Not Available	Not Available	Not Available	PMC11279976
Frailty	Not Available	Not Available	Not Available	PMC11279976
primary ovarian insufficiency	Has Therapeutic Effect On	Not Available	Not Available	PMC12639781 , PMC12842262

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000146	Food additives?Food additives are substances added to food products to enhance flavor, appearance, preservation, or nutritional value.	Food, food processing & cookware	PMC11279976
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000548	Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.	Food, food processing & cookware	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem
CEDs01151	Fruits	Food, food processing & cookware	PMC11279976 , PMC11117624
CEDs01171	Meat	Food, food processing & cookware	PMC9823503
CEDs01172	Meats	Food, food processing & cookware	PMC11117624
CEDs01200	Vegetables	Food, food processing & cookware	PMC11279976 , PMC11117624
CEDs01263	Food Sources	Food, food processing & cookware	PMC11300909
CEDs02845	Cosmetics	Personal care & cosmetics	PMC11279976

Pathways

1 pathwayPathway Source: PathBank

Nicotinate and Nicotinamide Metabolism

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	2-dehydropantoate 2-reductase	P0A9J4	Escherichia coli K-12	Predicted (SEA)	Prediction Confidence Score 0.524 Applicability Domain 0.524 Statistical Significance 3.00e-05 Supporting Reference Compounds 2 E-value 0.233548
Click to view 3D structure	6-phosphogluconate dehydrogenase, decarboxylating	P85968	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.371 Applicability Domain 0.371 Statistical Significance 4.30e-04 Supporting Reference Compounds 1 E-value 3.34752
Click to view 3D structure	Multifunctional protein ADE2	P38024	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.343 Applicability Domain 0.343 Statistical Significance 3.20e-04 Supporting Reference Compounds 1 E-value 2.49118
Click to view 3D structure	Eukaryotic translation initiation factor 4E	P63073	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.375 Statistical Significance 6.40e-04 Supporting Reference Compounds 23 E-value 4.98235
Click to view 3D structure	P2Y purinoceptor 2	P41231	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.314 Statistical Significance 0.0051 Supporting Reference Compounds 44 E-value 40.0145
Click to view 3D structure	Orotidine 5'-phosphate decarboxylase	P03962	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.379 Statistical Significance 4.60e-04 Supporting Reference Compounds 4 E-value 3.58106
Click to view 3D structure	AMP deaminase	O80452	Arabidopsis thaliana	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.306 Statistical Significance 1.10e-04 Supporting Reference Compounds 1 E-value 0.856341
Click to view 3D structure	P2Y purinoceptor 6	Q15077	Humans	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 0.321 Statistical Significance 0.0015 Supporting Reference Compounds 38 E-value 11.7552
Click to view 3D structure	Orotidine phosphate decarboxylase	Q8T6J6	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.304 Statistical Significance 0.001 Supporting Reference Compounds 1 E-value 8.01847
Click to view 3D structure	Orotidine 5'-phosphate decarboxylase	O26232	Methanobacterium thermoautotrophicum	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.379 Statistical Significance 7.00e-05 Supporting Reference Compounds 3 E-value 0.544945
Click to view 3D structure	Eukaryotic translation initiation factor 4E	P29338	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.333 Statistical Significance 7.70e-04 Supporting Reference Compounds 6 E-value 5.99439
Click to view 3D structure	P2Y purinoceptor 14	Q15391	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.321 Statistical Significance 0.0025 Supporting Reference Compounds 49 E-value 19.2288
Click to view 3D structure	P2Y purinoceptor 4	P51582	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.314 Statistical Significance 0.0017 Supporting Reference Compounds 36 E-value 12.923
Click to view 3D structure	5'-nucleotidase	P21588	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.321 Statistical Significance 0.0031 Supporting Reference Compounds 21 E-value 24.2111
Click to view 3D structure	AMP deaminase 1	P81072	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.306 Statistical Significance 9.10e-04 Supporting Reference Compounds 2 E-value 7.08428
Click to view 3D structure	Genome polyprotein	P03300	Poliovirus type 1 (strain Mahoney)	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.288 Low confidence Statistical Significance 0.0011 Supporting Reference Compounds 1 E-value 8.56341
Click to view 3D structure	N-acetylglucosamine-6-phosphate deacetylase	Q9Y303	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.286 Low confidence Statistical Significance 2.20e-04 Supporting Reference Compounds 1 E-value 1.71268
Click to view 3D structure	5-hydroxymethyl-dUMP N-hydrolase	O35820	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.286 Low confidence Statistical Significance 0.0041 Supporting Reference Compounds 1 E-value 31.6068
Click to view 3D structure	P2Y purinoceptor 1	P47900	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.301 Statistical Significance 0.0084 Supporting Reference Compounds 42 E-value 65.7047
Click to view 3D structure	P2Y purinoceptor 2	P41232	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.301 Statistical Significance 0.0012 Supporting Reference Compounds 2 E-value 9.10836
Click to view 3D structure	Inosine-5'-monophosphate dehydrogenase 2	P24547	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.284 Low confidence Statistical Significance 0.0037 Supporting Reference Compounds 3 E-value 28.8042
Click to view 3D structure	Enterobactin synthase component E	P10378	Escherichia coli K-12	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.276 Low confidence Statistical Significance 0.0028 Supporting Reference Compounds 1 E-value 22.0313
Click to view 3D structure	P2Y purinoceptor 1	P49652	Meleagris gallopavo	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.288 Low confidence Statistical Significance 0.0055 Supporting Reference Compounds 19 E-value 42.6614
Click to view 3D structure	Glutamate dehydrogenase 1, mitochondrial	P00366	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.284 Low confidence Statistical Significance 0.0038 Supporting Reference Compounds 2 E-value 29.972
Click to view 3D structure	5'-nucleotidase	P21589	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.321 Statistical Significance 0.005 Supporting Reference Compounds 26 E-value 39.3139
Click to view 3D structure	Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1	Q9HAN9	Humans	Known	Not Available
Click to view 3D structure	Solute carrier family 12 member 8	A0AV02	Humans	Known	Not Available
Click to view 3D structure	Nuclear factor erythroid 2-related factor 2	Q16236	Humans	Known	Not Available
Click to view 3D structure	Alcohol dehydrogenase	P42328	Geobacillus stearothermophilus	Known	Not Available