ContaminantDB: NITROGEN OXIDES

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 02:18:54 UTC

Update Date

2016-11-09 01:09:49 UTC

Accession Number

CHEM006884

Identification

Common Name

NITROGEN OXIDES

Class

Small Molecule

Description

Nitric oxide or Nitric oxide is a chemical compound with chemical formula NO. This gas is an important signaling molecule in the body of mammals including humans and is an extremely important intermediate in the chemical industry. It is also a toxic air pollutant produced by automobile engines and power plants. Nitric oxide (NO) should not be confused with nitrous oxide (N2O), a general anaesthetic, or with nitrogen dioxide (NO2) which is another poisonous air pollutant. The nitric oxide molecule is a free radical, which is relevant to understanding its high reactivity. It reacts with the ozone in air to form nitrogen dioxide, signalled by the appearance of the reddish-brown color.

Contaminant Sources

EAFUS Chemicals
FooDB Chemicals

Contaminant Type

Not Available

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

HNO

Average Molecular Mass

31.014 g/mol

Monoisotopic Mass

31.006 g/mol

CAS Registry Number

977099-25-4

IUPAC Name

nitroso

Traditional Name

nitric oxide

SMILES

N=O

InChI Identifier

InChI=1S/HNO/c1-2/h1H

InChI Key

ODUCDPQEXGNKDN-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

Not Available

Applications

Not Available

Biological Roles

Not Available

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