ContaminantDB: Nitric oxide

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (6)XML

Record Information

Version

1.0

Creation Date

2016-05-19 01:46:34 UTC

Update Date

2026-05-14 16:38:40 UTC

Accession Number

CHEM004476

Identification

Common Name

Nitric oxide

Class

Small Molecule

Description

Nitric oxide (NO) is a compound with an average molecular weight of 30.01 g/mol. Nitric oxide belongs to the other non-metal oxides, a subclass of other non-metal organides within the inorganic compounds. It is used in Polyamide and is found in unclassified respiratory system products within healthcare, pharmaceuticals, and veterinary products. Recorded exposure routes include topical and respiratory, with inhalation supported by literature (PMC11770536). Biologically, it serves as a neurotransmitter (PMC2745337, PMC9556195), inhibitor (PMC11429291), antimicrobial agent (PMC4160367, PMC6322413, PMC9465324), and biomarker (PMC6617305). It targets six proteins, including Nitric oxide synthase 3 (NOS3), Indoleamine 2,3-dioxygenase 1 (IDO1), Metallothionein-1A (MT1A), and Guanylate cyclase soluble subunit alpha-2 (GUCY1A2). The compound is associated with various health effects, including inflammation (PMC10837992, PMC11910329, PMC2885079, PMC3867356, PMC4739797), cancer (PMC3853740, PMC5362166, PMC9784116), rheumatoid arthritis (PMC3853740, PMC6264366), blood pressure (PMC11678264), thrombosis (PMC4739797), diabetic retinopathy (PMC3351417), pain (PMC9313384), methemoglobinemia (PMC1392223), and disease (PMC2929206). It is linked to an increase in asthma (PMC10948772), epilepsy (PMC4428026, PMC6213719), and interstitial cystitis (PMC3989437), as well as Hypogonadotropic hypogonadism (PMC13246832). Conversely, it is associated with a decrease in atherosclerosis (PMC2965309). Therapeutic effects are noted for hypertension (PMC4217569), glaucoma (PMC11013077), colon cancer (PMC3572206), and blood pressure (PMC13143078, PMC9479141), inflammation (PMC12988469, PMC6835591, PMC9479141), and thrombosis (PMC13143078, PMC6835591, PMC9479141). It is a treatment for thrombosis (PMC12194899). Additionally, it is a biomarker of inflammation (PMC13279942), asthma (PMC9170864), and liver cirrhosis (PMC12072035), and is increased in the blood of individuals with depression (PMC11563972).

Contaminant Sources

Clean Air Act Chemicals
FooDB Chemicals
HPV EPA Chemicals
OSHA Hazardous Chemicals

Contaminant Type

Human Neurotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(NO)(.)	ChEBI
[NO]	ChEBI
EDRF	ChEBI
Endothelium-derived relaxing factor	ChEBI
Mononitrogen monoxide	ChEBI
Monoxido de nitrogeno	ChEBI
Monoxyde d'azote	ChEBI
Nitrogen monooxide	ChEBI
Nitrogen monoxide	ChEBI
Nitrosyl	ChEBI
NO	ChEBI
(.)NO	ChEBI
NO(.)	ChEBI
Oxido de nitrogeno(II)	ChEBI
Oxido nitrico	ChEBI
Oxyde azotique	ChEBI
Oxyde nitrique	ChEBI
Stickstoff(II)-oxid	ChEBI
Stickstoffmonoxid	ChEBI
INOmax	Kegg
Nitrogen oxide	HMDB
Nitrogen protoxide	HMDB
Nitrosyl hydride	HMDB
Nitrosyl radical	HMDB
Nitroxide radical	HMDB
Nitroxyl	HMDB
Endogenous nitrate vasodilator	MeSH, HMDB
Monoxide, nitrogen	MeSH, HMDB
Nitric oxide, endothelium derived	MeSH, HMDB
Nitric oxide, endothelium-derived	MeSH, HMDB
Monoxide, mononitrogen	MeSH, HMDB
Vasodilator, endogenous nitrate	MeSH, HMDB
Endothelium-derived nitric oxide	MeSH, HMDB
Nitrate vasodilator, endogenous	MeSH, HMDB
Oxide, nitric	MeSH, HMDB

Chemical Formula

Average Molecular Mass

30.006 g/mol

Monoisotopic Mass

29.998 g/mol

CAS Registry Number

10102-43-9

IUPAC Name

nitroso

Traditional Name

nitric oxide

SMILES

[N]=O

InChI Identifier

InChI=1S/NO/c1-2

InChI Key

MWUXSHHQAYIFBG-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Other non-metal organides

Sub Class

Other non-metal oxides

Direct Parent

Other non-metal oxides

Alternative Parents

Inorganic oxides

Substituents

Other non-metal oxide
Inorganic oxide

Molecular Framework

Not Available

External Descriptors

reactive nitrogen species (CHEBI:16480 )
reactive oxygen species (CHEBI:16480 )
nitrogen oxide (CHEBI:16480 )
inorganic radical (CHEBI:16480 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB Link	KEGG Link
Arginine and Proline Metabolism	SMP0000020	Not Available
Prolidase Deficiency (PD)	SMP0000207	Not Available
Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency)	SMP0000362	Not Available
Hyperprolinemia Type II	SMP0000360	Not Available
Hyperprolinemia Type I	SMP0000361	Not Available
Prolinemia Type II	SMP0000208	Not Available
Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency)	SMP0000188	Not Available
Ornithine Aminotransferase Deficiency (OAT Deficiency)	SMP0000363	Not Available
Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency	SMP0000504	Not Available
Hyperornithinemia with Gyrate Atrophy (HOGA)	SMP0000505	Not Available
Hyperornithinemia-Hyperammonemia-Homocitrullinuria (HHH-syndrome)	SMP0000506	Not Available
L-Arginine:Glycine Amidinotransferase Deficiency	SMP0000507	Not Available
Clemastine H1-Antihistamine Immune Response Action Pathway	SMP0058891	Not Available
Nitric Oxide Signaling Pathway	SMP0063777	Not Available
Ion Channels and Their Functional Role in Vascular Endothelium	SMP0063778	Not Available
Succinate Signalling	SMP0083294	Not Available
Succinate Signalling During Inflammation	SMP0084634	Not Available
Sildenafil Action Pathway	SMP0124685	Not Available
Nitroglycerin Action Pathway	SMP0124692	Not Available
Succinate Immunometabolism Pathway	SMP0124909	Not Available
Citrate Immunometabolism Pathway	SMP0124912	Not Available
Isosorbide Mononitrate Action Pathway	SMP0125275	Not Available
Isosorbide Dinitrate Action Pathway	SMP0125279	Not Available
Caffeine Vasodilation Action Pathway	SMP0125283	Not Available
T Cell Exhaustion	SMP0125467	Not Available
Immunometabolism Pathway (Bacterial Activation)	SMP0125484	Not Available
Anti-inflammatory pathway	SMP0125485	Not Available
Immunometabolism Pathway (Viral Activation)	SMP0125488	Not Available
Viral Sepsis	SMP0125490	Not Available
Bacterial Sepsis	SMP0125493	Not Available
Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency)	SMP0125623	Not Available
Hyperprolinemia Type II	SMP0125624	Not Available
Hyperprolinemia Type I	SMP0125626	Not Available
Prolinemia Type II	SMP0125627	Not Available
Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency)	SMP0125628	Not Available
Ornithine Aminotransferase Deficiency (OAT Deficiency)	SMP0125629	Not Available
Hyperornithinemia with Gyrate Atrophy (HOGA)	SMP0125630	Not Available
Hyperornithinemia-Hyperammonemia-Homocitrullinuria (HHH-syndrome)	SMP0125633	Not Available
L-Arginine:Glycine Amidinotransferase Deficiency	SMP0125634	Not Available
Methylnaltrexone Opioid Antagonist Action Pathway	SMP0126308	Not Available
Naloxegol Action Pathway	SMP0126335	Not Available
Naldemedine Opioid Antagonist Action Pathway	SMP0126337	Not Available
Trimebutine M3 Receptor Intestine Relaxation Action Pathway	SMP0126338	Not Available
Alvimopan Opioid Antagonist Action Pathway	SMP0126339	Not Available
Clemastine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0126421	Not Available
Doxylamine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0126731	Not Available
Nitric Oxide Drug Metabolism Action Pathway	SMP0142892	Not Available
Mirtazapine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174980	Not Available
Dexbrompheniramine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174981	Not Available
Triprolidine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174982	Not Available
Cyproheptadine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174983	Not Available
Hydroxyzine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174984	Not Available
Cinnarizine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174985	Not Available
Azatadine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174986	Not Available
Meclizine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174987	Not Available
Carbinoxamine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174988	Not Available
Tripelennamine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174989	Not Available
Brompheniramine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174990	Not Available
Ketotifen H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174991	Not Available
Promethazine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174992	Not Available
Mequitazine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174993	Not Available
Diphenhydramine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174994	Not Available
Emedastine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174995	Not Available
Cyclizine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174996	Not Available
Alimemazine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174997	Not Available
Phenindamine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174998	Not Available
Pheniramine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0174999	Not Available
Methapyrilene H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175000	Not Available
Levocetirizine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175001	Not Available
Mepyramine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175002	Not Available
Alcaftadine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175003	Not Available
Antazoline H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175004	Not Available
Chloropyramine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175005	Not Available
Dimetindene H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175006	Not Available
Acrivastine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175007	Not Available
Ebastine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175008	Not Available
Oxatomide H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175009	Not Available
Dexchlorpheniramine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175010	Not Available
Bepotastine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175011	Not Available
Buclizine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175012	Not Available
Methdilazine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175013	Not Available
Diphenylpyraline H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175014	Not Available
Bromodiphenhydramine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175015	Not Available
Olanzapine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175016	Not Available
Clozapine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175017	Not Available
Doxepin H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175018	Not Available
Orphenadrine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175019	Not Available
Quetiapine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175020	Not Available
Isothipendyl H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175022	Not Available
Chlorcyclizine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175023	Not Available
Bilastine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175024	Not Available
Rupatadine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175025	Not Available
Thonzylamine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175026	Not Available
Propiomazine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175027	Not Available
Deptropine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175028	Not Available
Cetirizine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175029	Not Available
Loratadine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175030	Not Available
Fexofenadine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175031	Not Available
Desloratadine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175032	Not Available
Terfenadine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175033	Not Available
Astemizole H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175034	Not Available
Olopatadine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175035	Not Available
Azelastine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175036	Not Available
Levocabastine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175037	Not Available
Mizolastine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175038	Not Available
Epinastine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175039	Not Available
Dimenhydrinate H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175041	Not Available
Chlorpheniramine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175042	Not Available
Mianserin H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175043	Not Available
Esmirtazapine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175044	Not Available
Dimetotiazine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175045	Not Available
Dexchlorpheniramine maleate H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175046	Not Available
GSK-1004723 H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175047	Not Available
Ziprasidone H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175049	Not Available
Promazine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175050	Not Available
Trazodone H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175051	Not Available
Clofedanol H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175053	Not Available
Chlorprothixene H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175054	Not Available
Chlorpromazine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175059	Not Available
Zuclopenthixol H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175061	Not Available
Butriptyline H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175063	Not Available
Cariprazine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175064	Not Available
Benzquinamide H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175067	Not Available
Aceprometazine H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175068	Not Available
Aripiprazole lauroxil H1-Antihistamine Blood Vessel Constriction Action Pathway	SMP0175069	Not Available
VEGF Signaling	SMP0524112	Not Available
Sphingolipid Signaling (Receptor)	SMP0524344	Not Available
Apelin Signaling	SMP0642520	Not Available
Relaxin I Signaling Pathway	SMP0689895	Not Available

Applications

Not Available

Biological Roles

Chemical Roles

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
logP	-0.35	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	34.14 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	2.89 m³·mol⁻¹	ChemAxon
Polarizability	1.69 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-9000000000-d182bfca83d886821e6d	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-8a2dd9da1fc114d013b3	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-8a2dd9da1fc114d013b3	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-8a2dd9da1fc114d013b3	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9000000000-e998110984a05853a05d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-e998110984a05853a05d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-e998110984a05853a05d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-4faa0e3c79683567bab0	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-4faa0e3c79683567bab0	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-4faa0e3c79683567bab0	Spectrum