Adenosine (CED0000456)

Record Information

Version

1.0

Creation Date

2014-08-29 06:11:54 UTC

Update Date

2026-05-14 16:44:49 UTC

SynCED ID

CED0000456

Secondary Accession Numbers

CHEM003235
T3D4275

Identification

Common Name

Adenosine

Class

Small Molecule

Description

Adenosine belongs to the purine nucleosides, a class of nucleosides, nucleotides, and analogues within the organic compounds. It has the chemical formula $\text{C}_{10}\text{H}_{13}\text{N}_5\text{O}_4$ and an average molecular weight of 267.24 g/mol. This endogenous compound exists as a solid at room temperature and is detected in all tissues. It functions biologically as a human metabolite, a ligand (PMC13414883 ), an agonist (PMC2888900 ), and an antioxidant (PMC11121823 ). Its protein targets include the adenosine receptors A1, A2a, A2b, and A3, among six other proteins. Adenosine is utilized as an anti-arrhythmia drug, a vasodilator agent, and an analgesic. Industrially, it is used as a softener and conditioner. It is recorded as being found in indoor air, cardiac preparations, bleaching agents, cigar cigarettes, and food processing and cookware, including the preparation of wort, vinegar, wine or sparkling wine, and fermentation processes for beer. It is also found in television systems and video games. Recorded exposure routes include oral, intravenous, topical, dental, vaginal, and inhalation. In terms of health effects, adenosine is a treatment for heart disease (PMC9962797 ). It has therapeutic effects on blood pressure (PMC11121823 ), ischemia (PMC2888900 ), and inflammation (PMC12599235 ). Conversely, it is associated with neuroblastoma (PMC8962291 ) and an increase in inflammation (PMC7246765 ).

Contaminant Type

Amine
Analgesic
Animal Toxin
Anti-Arrhythmia Agent
Cardiovascular Agent
Drug
Ether
Food Toxin
Human Neurotoxin
Metabolite
Natural Compound
Organic Compound
Vasodilator Agent

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol	ChEBI
6-Amino-9-beta-D-ribofuranosyl-9H-purine	ChEBI
9-beta-D-Ribofuranosidoadenine	ChEBI
9-beta-D-Ribofuranosyl-9H-purin-6-amine	ChEBI
Ade-rib	ChEBI
Adenine deoxyribonucleoside	ChEBI
Adenocard	ChEBI
Adenocor	ChEBI
Adenoscan	ChEBI
Adenosin	ChEBI
Adenyldeoxyriboside	ChEBI
Ado	ChEBI
beta-D-Adenosine	ChEBI
Deoxyadenosine	ChEBI
Desoxyadenosine	ChEBI
6-Amino-9-b-D-ribofuranosyl-9H-purine	Generator
6-Amino-9-β-D-ribofuranosyl-9H-purine	Generator
9-b-D-Ribofuranosidoadenine	Generator
9-Β-D-ribofuranosidoadenine	Generator
9-b-D-Ribofuranosyl-9H-purin-6-amine	Generator
9-Β-D-ribofuranosyl-9H-purin-6-amine	Generator
b-D-Adenosine	Generator
Β-D-adenosine	Generator
1-(6-Amino-9H-purin-9-yl)-1-deoxy-beta-D-ribofuranose	HMDB
1-(6-Amino-9H-purin-9-yl)-1-deoxy-beta-delta-ribofuranose	HMDB
6-Amino-9beta-D-ribofuranosyl-9H-purine	HMDB
6-Amino-9beta-delta-ribofuranosyl-9H-purine	HMDB
9-beta-D-Arabinofuranosyladenine	HMDB
9-beta-D-Ribofuranosyladenine	HMDB
9-beta-delta-Arabinofuranosyladenine	HMDB
9-beta-delta-Ribofuranosidoadenine	HMDB
9-beta-delta-Ribofuranosyl-9H-purin-6-amine	HMDB
9-beta-delta-Ribofuranosyladenine	HMDB
9beta-D-Ribofuranosyl-9H-purin-6-amine	HMDB
9beta-D-Ribofuranosyladenine	HMDB
9beta-delta-Ribofuranosyl-9H-purin-6-amine	HMDB
9beta-delta-Ribofuranosyladenine	HMDB
Adenine nucleoside	HMDB
Adenine riboside	HMDB
Adenine-9beta-D-ribofuranoside	HMDB
Adenine-9beta-delta-ribofuranoside	HMDB
beta-Adenosine	HMDB
beta-delta-Adenosine	HMDB
Boniton	HMDB
Myocol	HMDB
Nucleocardyl	HMDB
Sandesin	HMDB

Chemical Formula

C₁₀H₁₃N₅O₄

Average Molecular Mass

267.241 g/mol

Monoisotopic Mass

267.097 g/mol

CAS Registry Number

58-61-7

IUPAC Name

(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Traditional Name

adenosine

SMILES

NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1

InChI Identifier

InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

InChI Key

OIRDTQYFTABQOQ-KQYNXXCUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleosides

Sub Class

Not Available

Direct Parent

Purine nucleosides

Alternative Parents

Substituents

Purine nucleoside
Glycosyl compound
N-glycosyl compound
6-aminopurine
Pentose monosaccharide
Imidazopyrimidine
Purine
Aminopyrimidine
Monosaccharide
N-substituted imidazole
Pyrimidine
Imidolactam
Tetrahydrofuran
Azole
Imidazole
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Azacycle
Oxacycle
Organic oxygen compound
Organic nitrogen compound
Alcohol
Organonitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Organooxygen compound
Amine
Primary alcohol
Primary amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

adenosines (CHEBI:16335 )
Ribonucleosides (C00212 )

Biological Properties

Status

Detected and Not Quantified

Origin

Endogenous

Cellular Locations

Extracellular
Lysosome
Membrane
Mitochondria

Biofluid Locations

Not Available

Tissue Locations

All Tissues

Applications

Biological Roles

human metabolite ?
analgesic ?
metabolite ?A chemical produced during metabolism process, as an intermediate or end-product
neurotransmitter (PMC12293634 , PMC6727218 )?A chemical that allows the transmission of signals from one neuron to the next across synapses
signalling molecule (PMC7226301 )?
agonist (PMC2888900 , PMC11636968 )?
antioxidant (PMC11121823 , PMC13072824 )?
drug (PMC4353337 )?
anti-inflammatory agent (PMC10918954 )?
ligand (PMC13414883 , PMC4804392 )?
antineoplastic agent (PMC11981035 )?
anticonvulsant (PMC2728789 , PMC12861575 )?
purine nucleoside (PMC5890280 )?
nucleoside (PMC7386554 )?

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	235.5°C
Boiling Point	Not Available
Solubility	8230 mg/L

Predicted Properties

Property	Value	Source
Water Solubility	14 g/L	ALOGPS
logP	-1.2	ALOGPS
logP	-2.1	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	12.45	ChemAxon
pKa (Strongest Basic)	3.92	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	139.54 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	63.2 m³·mol⁻¹	ChemAxon
Polarizability	25.28 Å³	ChemAxon
Number of Rings	3	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
GC-MS	GC-MS Spectrum	splash10-0f7w-1890000000-5c70a5423faa5e8eceaf	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-001v-0691000000-8f88854b7d5adec5c558	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-001s-0790000000-cc3bcd977e11efd4ea25	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-00di-9460000000-3ae19bfaa5d2df72f9b1	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0gc0-0590000000-05874cecded3009c1f4d	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0fsv-1792000000-b37fd6826f28aaf9e825	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0f7w-1890000000-5c70a5423faa5e8eceaf	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-001v-0691000000-8f88854b7d5adec5c558	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-001s-0790000000-cc3bcd977e11efd4ea25	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-00di-9460000000-3ae19bfaa5d2df72f9b1	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0gc0-0590000000-05874cecded3009c1f4d	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0fsv-1792000000-b37fd6826f28aaf9e825	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0a4v-9560000000-986f3b1dfa5d898ed7a2	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-01c4-6912500000-ae103f43432726c1ad22	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014r-0890000000-588861a9494ab4680698	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-1900000000-dd7cbed8e76c6e783831	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-2900000000-c6644520b5943b59403d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-3d4fd8ea211eaed10531	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-cb58ec56a5faa09c9a02	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-9559aa07ec13a688fb16	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-f7c1371d8e1058df3a32	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0940000000-da71247788bf1ba222e2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0920000000-f2e8ec028abdd674b5e3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0910000000-815ed65588c07415cd65	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-1910000000-2780e737da8848411c4f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-053r-1900000000-c6c1128990661334c15b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-106e7131507fadd4befb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0910000000-1c53823486cd2c23f90e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-f0313435db4847490fd6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-1900000000-dcd4c2972882dcd7535a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-2900000000-5ee474864189cef6df64	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-17edf36faf6eb5750912	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-0591143763a0bad31c23	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0290000000-f1d71a97ce39145c8e31	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00kr-0950000000-9bbdbb14aed287ad5ac8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0910000000-35f90965f1f3c2b3236b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-f360cca994696d7ae735	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0910000000-65268017a112bc263b5e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-375c0e137f7068cf49af	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-ad5db8e5cbaacc341347	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-718be441310a581854a6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-765c0fccf80d24951ef9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-053r-2900000000-2f0ca594f7cc031e54e7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0940000000-da71247788bf1ba222e2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0920000000-f2e8ec028abdd674b5e3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0910000000-815ed65588c07415cd65	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-1910000000-bbdd67de0fcb7c302c8f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-053r-1900000000-2c12434eaabba59a0a6c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0910000000-35f90965f1f3c2b3236b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0980000000-56af5755b924f7c42369	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0980000000-25acc7da5b6ea2bee529	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-3900000000-602d3adcf68051f2992d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-4900000000-85777953862ffa85a828	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-8c7c25ea99344e167af5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-2de6609bcaad91b510b5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00kr-0940000000-a6eb3acc66bfb4687127	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-38a0b51e84259a90e0bf	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-95ff80024f6f3ecb8b96	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-54121dd1ddff8baeedbd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-bc944eede02f73a9f09c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-1900000000-bf97b22e23b479deb25b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0490000000-47f7a73ecc9fc3610eac	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-e43eddf41f22caa830b7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-5ff3043042220443b986	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-7157f8ad056eb2a71278	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-a82c9cbf7a2ae7b92911	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00kr-0960000000-c27288ef88b7c9fada7c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-b9c204c25a40d0b9d54e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-d29b79bb7074f6b6007f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-106e7131507fadd4befb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0910000000-1c53823486cd2c23f90e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-f0313435db4847490fd6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-1900000000-23bcec0b5be3fa4e10ed	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-2900000000-60219ac7d9220e297492	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-cda34117888d584ca7b7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0910000000-83e1685b54e8f76906fd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0920000000-985897f3309c69d2acfb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0930000000-9e6777212cb3a21a3a83	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0940000000-a9e90a868ea4f0f6fdb3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-cb58ec56a5faa09c9a02	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-9559aa07ec13a688fb16	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-f7c1371d8e1058df3a32	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0290000000-f1d71a97ce39145c8e31	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00kr-0950000000-9bbdbb14aed287ad5ac8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-f360cca994696d7ae735	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-fef79893c00d065702b7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-ea11cf8ac5af935bddf7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-02t9-0294000000-abb236da520f6aef0219	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0092000000-d2d13a36535aa8fc719b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03fr-0039520000-ff390a49e70c3ce16d6d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01t9-0039810000-72148f451c6faa94b6a0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-3900000000-d46a6ac68cff3d0c9020	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00kr-2900000000-b48b98b8bd78124c973a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0910000000-d27a25cc7e3d4ca0ee30	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00kr-0950000000-9bbdbb14aed287ad5ac8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0190000000-972617aeea484bc69504	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-16c7eff441e7b3ef1dec	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0910000000-556dd638b3946e92d18f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-1900000000-0f76e400a56cad0d0fca	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0910000000-eb8f981c9f5761f4aef0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-3900000000-a96b5003a9deeb15fd60	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-91d7c687ea8980483203	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-cc7bce597b4e8b81114c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0920000000-ec87f5fb7f40c8031b5d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0930000000-5e1a2467e05e9881c30c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-f21d1fe32219b2d87c4a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-1f41894ddadd92a53983	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0920000000-ffd1d1333b422916c951	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-053r-2900000000-ae2b37fab44920fe5488	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0940000000-eedba16613a4f4606fa4	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0910000000-c5ab43a44bfd6f4bfa76	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0910000000-5c55218fff6dc57de94a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-6bf8c249ab7dedb5c5ba	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-db0eb7e2765f6507daad	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-e3a7c00866297f9ae2f6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-ac59f9827d1403a36994	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00kr-0940000000-4fdc75cfd8f86b40d63f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-ad5db8e5cbaacc341347	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-c6d3d25b55bb8954c51f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-8a559a8354e4a9c7c734	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-20ee7155dcc9a2f25dd8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-4900000000-c3a85b3ebc475961ab27	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0490000000-47f7a73ecc9fc3610eac	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-e43eddf41f22caa830b7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-2900000000-ec91fb8b2bba2c94cc8e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0910000000-a4f024474d1b16b730a2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00lr-0940000000-60c91f26448258d0d725	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-1900000000-9bc4a25c0671e6ed6269	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-b594a436f16f82f2b20b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-7157f8ad056eb2a71278	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-5ff3043042220443b986	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-8138a76cc115bab4ea76	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-4c21bed39b4a0c332c3e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-1900000000-10f5c1e11f71f0ec6059	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-58a9f73d4a5431a1c4eb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-1900000000-4f2277965db87828da90	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-e9ed0937d9e1e01d3d9b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-208d8f6ac88301b7a82e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-77bf6a2e15ca7d3680fc	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-89aa4631ac19b788a129	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0940000000-3a1cdf7153df4988110b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-1900000000-85200098720c40401635	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00kr-0960000000-0667192f283585a81ab3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0900000000-a82c9cbf7a2ae7b92911	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-3900000000-e45c9fecc602c23b739d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0940000000-42bee9785f9b55b32eea	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0900000000-c8cda6a661ace060572c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-2900000000-0304a85c3951aa1cb41a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0159-0690000000-0258e5851611884483d9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0900000000-e6b8fc6980387f646d64	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-053r-2900000000-1e0cad8d044715d90f12	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0920000000-7da3fd2802cd6cdf6c8d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0900000000-c1ee2199364d0258bae1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-1900000000-f3490e8ccb46290343ec	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0920000000-dd81be3fe27885082eca	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0900000000-fb75e80e5587bfdc5dc8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a59-2900000000-d8479f55e1fca34f9c15	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, H₂O, experimental)	Not Available	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
953.0 Log mg/kg [540:1700]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Adenosine slows conduction time through the AV node and can interrupt the reentry pathways through the AV node, resulting in the restoration of normal sinus rhythm in patients with paroxysmal supraventricular tachycardia (PSVT), including PSVT associated with Wolff-Parkinson-White Syndrome. This effect may be mediated through the drug's activation of cell-surface A₁ and A₂ adenosine receptors. Adenosine also inhibits the slow inward calcium current and activation of adenylate cyclase in smooth muscle cells, thereby causing relaxation of vascular smooth muscle. By increasing blood flow in normal coronary arteries with little or no increase in stenotic arteries (with little to no increase in stenotic arteries), adenosine produces a relative difference in thallous (thallium) chloride TI 201 uptake in myocardium supplied by normal verus stenotic coronary arteries.

Carcinogenicity (IARC Classification)

No indication of carcinogenicity to humans (not listed by IARC).

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
hypertension	Decreased in Blood In	decrease	A disorder characterized by a pathological increase in blood pressure; a repeatedly elevation in the blood pressure exceeding 140 over 90 mm Hg. (NCI CTCAE)	PMC11195684
blood pressure	Has Therapeutic Effect On	Not Available	Not Available	PMC11121823
inflammation	Has Therapeutic Effect On	Not Available	Not Available	PMC12599235
inflammation	Associated With?	increase	Not Available	PMC7246765 , PMC8161391
inflammation	Associated With?	Not Available	Not Available	PMC12412055
cancer	Associated With?	increase	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.	PMC8161391
cancer	Associated With?	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.	PMC12412055
cancer	Elevated in Blood In	increase	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.	PMC6025448
asthma	Associated With?	Not Available	A bronchial disease that is characterized by chronic inflammation and narrowing of the airways, which is caused by a combination of environmental and genetic factors. The disease has symptom recurring periods of wheezing (a whistling sound while breathing), has symptom chest tightness, has symptom shortness of breath, has symptom mucus production and has symptom coughing. The symptoms appear due to a variety of triggers such as allergens, irritants, respiratory infections, weather changes, exercise, stress, reflux disease, medications, foods and emotional anxiety. (DO)	PMC2733095
Hepatocellular carcinoma	Associated With?	increase	A liver carcinoma that has material basis in undifferentiated hepatocytes. (DO)	PMC13138852
heart failure	Has Therapeutic Effect On	Not Available	A disorder characterized by the inability of the heart to pump blood at an adequate volume to meet tissue metabolic requirements, or, the ability to do so only at an elevation in the filling pressure. (NCI CTCAE)	PMC10918954
seizure	Not Available	Not Available	Not Available	PMC2728789
seizure	Has Therapeutic Effect On	Not Available	Not Available	PMC2728789 , PMC12861575
heart disease	Not Available	Not Available	A cardiovascular system disease that involves the heart. (DO)	PMC9962797
ischemia	Has Therapeutic Effect On	Not Available	A disorder characterized by a decrease or absence of blood supply to an organ or tissue, caused by obstruction (thrombosis or embolism) of an artery. (NCI CTCAE)	PMC2888900
ischemia	Associated With?	Not Available	A disorder characterized by a decrease or absence of blood supply to an organ or tissue, caused by obstruction (thrombosis or embolism) of an artery. (NCI CTCAE)	PMC12412055
neuroblastoma	Associated With?	Not Available	An autonomic nervous system neoplasm that derives from immature nerve cells. (DO)	PMC8962291
coronary artery disease	Not Available	Not Available	An artery disease that is characterized by plaque building up along the inner walls of the arteries of the heart resulting in a narrowing of the arteries and a reduced blood supply to the cardiac muscles. (DO)	PMC6529598
coronary artery disease	Associated With?	Not Available	An artery disease that is characterized by plaque building up along the inner walls of the arteries of the heart resulting in a narrowing of the arteries and a reduced blood supply to the cardiac muscles. (DO)	PMC6947158
Chronic Obstructive Pulmonary Disease	Associated With?	Not Available	A disorder characterized by long-term breathing problems and poor airflow, commonly attributed to smoking.	PMC2733095
epilepsy	Not Available	Not Available	A brain disease that is characterized by the occurrance of at least two unprovoked seizures resulting from a persistent epileptogenic abnormality of the brain that is able to spontaneously generate paroxysmal activity and typically manifested by sudden brief episodes of altered or diminished consciousness, involuntary movements, or convulsions. (DO)	PMC8366481
epilepsy	Has Therapeutic Effect On	Not Available	A brain disease that is characterized by the occurrance of at least two unprovoked seizures resulting from a persistent epileptogenic abnormality of the brain that is able to spontaneously generate paroxysmal activity and typically manifested by sudden brief episodes of altered or diminished consciousness, involuntary movements, or convulsions. (DO)	PMC2728789 , PMC12861575
Parkinson's disease	Associated With?	decrease	A long-term degenerative disorder of the central nervous system that mainly affects the motor system. The symptoms generally come on slowly over time.	PMC10657172
arrhythmia	Associated With?	Not Available	Not Available	PMC12733572
arrhythmia	Not Available	Not Available	Not Available	PMC13187934
brain cancer	Associated With?	increase	Not Available	PMC10441638
brain ischemia	Associated With?	increase	A disorder characterized by a decrease or absence of blood supply to the brain caused by obstruction (thrombosis or embolism) of an artery resulting in neurological damage. (NCI CTCAE)	PMC7386554
migraine	Associated With?	increase	A brain disease that is characterized by moderate to severe headaches, nausea, extreme sensitivity to light and sound and intense unilaterial throbbing or pulsing. (DO)	PMC9881355
myocarditis	Associated With?	increase	A disorder characterized by inflammation of the muscle tissue of the heart. (NCI CTCAE)	PMC10918954
cardiovascular disorder	Associated With?	Not Available	Not Available	PMC12412055
Fibrosis	Has Therapeutic Effect On	Not Available	Not Available	PMC10918954
Fibrosis	Associated With?	Not Available	Not Available	PMC10918954
bacterial infectious disease	Associated With?	Not Available	Not Available	PMC12412055
brain neoplasm	Associated With?	Not Available	Not Available	PMC10441638
autistic disorder	Is Biomarker Of	Not Available	Not Available	PMC12029135
lung non-small cell carcinoma	Associated With?	increase	Not Available	PMC13138852
hypotensive disorder	Associated With?	Not Available	Not Available	PMC12733572
Hypoxia	Associated With?	increase	Not Available	PMC7246765 , PMC8161391
pain agnosia	Has Therapeutic Effect On	Not Available	Not Available	PMC12164251
cardiac rhythm disease	Not Available	Not Available	Not Available	PMC4353337
atrioventricular block	Associated With?	Not Available	Not Available	PMC12733572
Bronchoconstriction	Associated With?	Not Available	Not Available	PMC2733095

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000019	Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.	Air, dust & atmospheric transport	Not Available
CEDs000233	Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.	Personal care & cosmetics	PubChem
CEDs000288	Cardiac preparations?Cardiac preparations are pharmaceuticals designed to treat various heart conditions, including heart failure and arrhythmias.	Healthcare, pharmaceuticals & veterinary products	Not Available
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
CEDs000537	Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.	Electrical & Electronic Equipment	PubChem
CEDs000539	Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.	Electrical & Electronic Equipment	PubChem
CEDs000544	Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.	Food, food processing & cookware	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
CEDs000549	Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.	Food, food processing & cookware	PubChem
CEDs000550	Preparation Of Wort?The preparation of wort involves the extraction of sugars from malted grains, a crucial step in the brewing process.	Food, food processing & cookware	PubChem
CEDs000555	Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.	Household cleaning & consumer products	PubChem
CEDs000556	Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.	Household cleaning & consumer products	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	PubChem
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000581	Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.	Industrial manufacturing & chemical processing	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
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	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
CEDs000616	Face Mask Cosmetics?Face mask cosmetics often contain a variety of synthetic chemicals, including preservatives, emulsifiers, and fragrances, which can contribute to chemical contamination.	Personal care & cosmetics	PubChem
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000634	Buckles?Buckles, commonly used as fasteners in clothing, accessories, and furniture, can be a source of synthetic chemical contamination due to the materials and coatings employed in their production.	Textiles, leather & furnishings	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	PubChem
CEDs000658	Touch Fasteners?Touch fasteners, commonly known as hook-and-loop fasteners, are composed of synthetic materials such as nylon or polyester.	Textiles, leather & furnishings	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
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	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
CEDs000738	Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.	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
CEDs000743	Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.	Wastewater, sanitation & biosolids	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
CEDs01371	Infant Formulae	Food, food processing & cookware	PMC12430217
CEDs01947	Olfactory Epithelium	Industrial manufacturing & chemical processing	PMC10525688
CEDs02261	Sea Water	Aquatic systems & sediments	PMC11166142

Pathways

62 pathwaysPathway Source: PathBank

Purine Metabolism

Adenosine Deaminase Deficiency

Selenoamino Acid Metabolism

Betaine Metabolism

Purine Metabolism

Methionine Metabolism

Adenosine Deaminase Deficiency

Adenylosuccinate Lyase Deficiency

Gout or Kelley-Seegmiller Syndrome

Lesch-Nyhan Syndrome (LNS)

Molybdenum Cofactor Deficiency

Xanthine Dehydrogenase Deficiency (Xanthinuria)

View all 62 pathways

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	RNA N(6)-adenosine-methyltransferase METTL16	Q86W50	Humans	Known	Not Available
Click to view 3D structure	N(6)-adenine-specific methyltransferase METTL4	Q8N3J2	Humans	Known	Not Available
Click to view 3D structure	Adenosylhomocysteinase	P23526	Humans	Known	Not Available
Click to view 3D structure	Splicing factor 1	Q15637	Humans	Known	Not Available
Click to view 3D structure	Adenosine deaminase	P00813	Humans	Known	Not Available
Click to view 3D structure	Adenosine kinase	P55263	Humans	Known	Not Available
Click to view 3D structure	NAD-capped RNA hydrolase NUDT12	Q9BQG2	Humans	Known	Not Available
Click to view 3D structure	N(6)-adenosine-methyltransferase non-catalytic subunit METTL14	Q9HCE5	Humans	Known	Not Available
Click to view 3D structure	Insulin-like growth factor 2 mRNA-binding protein 3	O00425	Humans	Known	Not Available
Click to view 3D structure	Adenosine receptor A2b	P29275	Humans	Known	Not Available
Click to view 3D structure	N(6)-adenosine-methyltransferase catalytic subunit METTL3	Q86U44	Humans	Known	Not Available
Click to view 3D structure	Caspase-3	P42574	Humans	Known	Not Available
Click to view 3D structure	Adenosine receptor A2a	P30543	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.811 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 174 E-value 0.0778492
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.804 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 221 E-value 0.0778492
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	Prediction Confidence Score 0.801 Applicability Domain 1.0 Statistical Significance 6.00e-05 Supporting Reference Compounds 391 E-value 0.467095
Click to view 3D structure	Adenosine receptor A3	P28647	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.801 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 71 E-value 0.0778492
Click to view 3D structure	Heat shock protein HSP 90-alpha	P07900	Humans	Predicted (SEA)	Prediction Confidence Score 0.782 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 109 E-value 0.0778492
Click to view 3D structure	Endoplasmin	P14625	Humans	Predicted (SEA)	Prediction Confidence Score 0.782 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 31 E-value 0.0778492
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	Prediction Confidence Score 0.747 Applicability Domain 1.0 Statistical Significance 5.00e-05 Supporting Reference Compounds 303 E-value 0.389246
Click to view 3D structure	Adenosine receptor A1	P30542	Humans	Predicted (SEA)	Prediction Confidence Score 0.737 Applicability Domain 1.0 Statistical Significance 1.00e-04 Supporting Reference Compounds 302 E-value 0.778492
Click to view 3D structure	Adenosine receptor A1	P47745	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.696 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 38 E-value 0.0778492
Click to view 3D structure	S-methyl-5'-thioadenosine phosphorylase	Q9CQ65	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.686 Applicability Domain 0.686 Statistical Significance 4.00e-05 Supporting Reference Compounds 1 E-value 0.311397
Click to view 3D structure	Purine nucleoside phosphorylase	P00491	Humans	Known	Not Available
Click to view 3D structure	Adenosine receptor A2b	P29275	Humans	Predicted (SEA)	Prediction Confidence Score 0.672 Applicability Domain 1.0 Statistical Significance 2.00e-04 Supporting Reference Compounds 187 E-value 1.55698
Click to view 3D structure	Adenosine kinase	P55263	Humans	Predicted (SEA)	Prediction Confidence Score 0.655 Applicability Domain 0.814 Statistical Significance 2.00e-05 Supporting Reference Compounds 22 E-value 0.155698
Click to view 3D structure	P2Y purinoceptor 1	P47900	Humans	Predicted (SEA)	Prediction Confidence Score 0.654 Applicability Domain 0.686 Statistical Significance 1.40e-04 Supporting Reference Compounds 42 E-value 1.08989
Click to view 3D structure	P2Y purinoceptor 2	P41231	Humans	Predicted (SEA)	Prediction Confidence Score 0.649 Applicability Domain 0.686 Statistical Significance 3.90e-04 Supporting Reference Compounds 44 E-value 3.03612
Click to view 3D structure	Adenosine kinase	P9WID5	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.648 Applicability Domain 0.814 Statistical Significance 1.00e-05 Supporting Reference Compounds 4 E-value 0.0778492
Click to view 3D structure	High affinity choline transporter 1	Q9GZV3	Humans	Predicted (SEA)	Prediction Confidence Score 0.643 Applicability Domain 1.0 Statistical Significance 2.00e-05 Supporting Reference Compounds 75 E-value 0.155698
Click to view 3D structure	ADP-ribose glycohydrolase MACROD1	Q9BQ69	Humans	Predicted (SEA)	Prediction Confidence Score 0.643 Applicability Domain 0.643 Statistical Significance 9.00e-05 Supporting Reference Compounds 1 E-value 0.700643
Click to view 3D structure	ADP-ribose glycohydrolase MACROD2	A1Z1Q3	Humans	Predicted (SEA)	Prediction Confidence Score 0.643 Applicability Domain 0.643 Statistical Significance 9.00e-05 Supporting Reference Compounds 1 E-value 0.700643
Click to view 3D structure	NAD kinase	Q5HH78	Staphylococcus aureus (strain COL)	Predicted (SEA)	Prediction Confidence Score 0.639 Applicability Domain 0.639 Statistical Significance 1.00e-05 Supporting Reference Compounds 1 E-value 0.0778492
Click to view 3D structure	NAD kinase 1	Q8Y8D7	Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)	Predicted (SEA)	Prediction Confidence Score 0.639 Applicability Domain 0.639 Statistical Significance 1.00e-05 Supporting Reference Compounds 1 E-value 0.0778492
Click to view 3D structure	P2Y purinoceptor 1	P49652	Meleagris gallopavo	Predicted (SEA)	Prediction Confidence Score 0.637 Applicability Domain 0.686 Statistical Significance 1.40e-04 Supporting Reference Compounds 19 E-value 1.08989
Click to view 3D structure	Heat shock cognate 71 kDa protein	P19120	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.636 Applicability Domain 0.636 Statistical Significance 1.20e-04 Supporting Reference Compounds 1 E-value 0.934191
Click to view 3D structure	Sensor protein kinase WalK	Q9RDT3	Staphylococcus aureus	Predicted (SEA)	Prediction Confidence Score 0.636 Applicability Domain 0.636 Statistical Significance 1.20e-04 Supporting Reference Compounds 1 E-value 0.934191
Click to view 3D structure	P2X purinoceptor 1	P51575	Humans	Predicted (SEA)	Prediction Confidence Score 0.632 Applicability Domain 0.66 Statistical Significance 1.20e-04 Supporting Reference Compounds 35 E-value 0.934191
Click to view 3D structure	Histone-lysine N-methyltransferase, H3 lysine-79 specific	Q8TEK3	Humans	Predicted (SEA)	Prediction Confidence Score 0.628 Applicability Domain 0.745 Statistical Significance 8.00e-05 Supporting Reference Compounds 18 E-value 0.622794
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Known	Not Available
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Known	Not Available
Click to view 3D structure	Adenosine receptor A1	P30542	Humans	Known	Not Available
Click to view 3D structure	Adenosine receptor A2b	P29275	Humans	Known	Not Available
Click to view 3D structure	Glyceraldehyde-3-phosphate dehydrogenase	P04406	Humans	Known	Not Available
Click to view 3D structure	Adenosine deaminase	P00813	Humans	Known	Not Available
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Known	Not Available
Click to view 3D structure	Inosine-5'-monophosphate dehydrogenase 1	P20839	Humans	Known	Not Available
Click to view 3D structure	Inosine-5'-monophosphate dehydrogenase 2	P12268	Humans	Known	Not Available
Click to view 3D structure	Protein kinase C beta type	P05771	Humans	Known	Not Available

Concentrations

Not Available

External Links

DrugBank ID

DB00640

HMDB ID

HMDB0000050

FooDB ID

FDB003554

Phenol Explorer ID

Not Available

KNApSAcK ID

C00007444

BiGG ID

34273

BioCyc ID

ADENOSINE

METLIN ID

PDB ID

Not Available

Wikipedia Link

Chemspider ID

ChEBI ID

PubChem Compound ID

Kegg Compound ID

YMDB ID

ECMDB ID

References

Synthesis Reference

Giorgio Stramentinoli, Federico Gennari, “Process for preparing adenosine derivatives of anti-inflammatory and analgesic activity.” U.S. Patent US4373097, issued October, 1965.

MSDS

Link

General References

Nakayama Y, Kinoshita A, Tomita M: Dynamic simulation of red blood cell metabolism and its application to the analysis of a pathological condition. Theor Biol Med Model. 2005 May 9;2:18. [PubMed: 15882454]
Eells JT, Spector R: Purine and pyrimidine base and nucleoside concentrations in human cerebrospinal fluid and plasma. Neurochem Res. 1983 Nov;8(11):1451-7. [PubMed: 6656991]
Skalhegg BS, Funderud A, Henanger HH, Hafte TT, Larsen AC, Kvissel AK, Eikvar S, Orstavik S: Protein kinase A (PKA)--a potential target for therapeutic intervention of dysfunctional immune cells. Curr Drug Targets. 2005 Sep;6(6):655-64. [PubMed: 16178799]
Lee SH, Jung BH, Kim SY, Chung BC: A rapid and sensitive method for quantitation of nucleosides in human urine using liquid chromatography/mass spectrometry with direct urine injection. Rapid Commun Mass Spectrom. 2004;18(9):973-7. [PubMed: 15116424]
Maytin M, Colucci WS: Cardioprotection: a new paradigm in the management of acute heart failure syndromes. Am J Cardiol. 2005 Sep 19;96(6A):26G-31G. [PubMed: 16181820]
Dodge-Kafka KL, Soughayer J, Pare GC, Carlisle Michel JJ, Langeberg LK, Kapiloff MS, Scott JD: The protein kinase A anchoring protein mAKAP coordinates two integrated cAMP effector pathways. Nature. 2005 Sep 22;437(7058):574-8. [PubMed: 16177794]
Gheorghiade M, Teerlink JR, Mebazaa A: Pharmacology of new agents for acute heart failure syndromes. Am J Cardiol. 2005 Sep 19;96(6A):68G-73G. [PubMed: 16181825]
Jansen RW, Kruijt JK, van Berkel TJ, Meijer DK: Coupling of the antiviral drug ara-AMP to lactosaminated albumin leads to specific uptake in rat and human hepatocytes. Hepatology. 1993 Jul;18(1):146-52. [PubMed: 7686877]
Ballantyne PJ: Social context and outcomes for the ageing breast cancer patient: considerations for clinical practitioners. J Clin Nurs. 2004 Mar;13(3a):11-21. [PubMed: 15028034]
Yamamoto T, Moriwaki Y, Takahashi S, Fujita T, Tsutsumi Z, Yamakita J, Shimizu K, Shiota M, Ohta S, Higashino K: Determination of adenosine and deoxyadenosine in urine by high-performance liquid chromatography with column switching. J Chromatogr B Biomed Sci Appl. 1998 Nov 20;719(1-2):55-61. [PubMed: 9869364]
Koeris M, Funke L, Shrestha J, Rich A, Maas S: Modulation of ADAR1 editing activity by Z-RNA in vitro. Nucleic Acids Res. 2005 Sep 21;33(16):5362-70. Print 2005. [PubMed: 16177183]
Vidotto C, Fousert D, Akkermann M, Griesmacher A, Muller MM: Purine and pyrimidine metabolites in children's urine. Clin Chim Acta. 2003 Sep;335(1-2):27-32. [PubMed: 12927681]
Dunne VG, Bhattachayya S, Besser M, Rae C, Griffin JL: Metabolites from cerebrospinal fluid in aneurysmal subarachnoid haemorrhage correlate with vasospasm and clinical outcome: a pattern-recognition 1H NMR study. NMR Biomed. 2005 Feb;18(1):24-33. [PubMed: 15455468]

Adenosine (CED0000456)

Structure for CHEM003235: Adenosine

Structure