Showing metabocard for Nitric oxide (BMDB0003378)

IdentificationTaxonomyPhysical propertiesSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 23:04:10 UTC
Update Date2020-06-04 20:47:16 UTC
MCDB ID BMDB0003378
Secondary Accession Numbers
  • BMDB03378
Metabolite Identification
Common NameNitric oxide
DescriptionNitric oxide, also knitric oxidewn as NO or nitric oxide, belongs to the class of initric oxiderganic compounds knitric oxidewn as other nitric oxiden-metal oxides. These are initric oxiderganic 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 nitric oxiden-metals'. Nitric oxide is a drug which is used for the treatment of term and near-term (>34 weeks) neonates with hypoxic respiratory failure. Nitric oxide exists as a solid, possibly soluble (in water), and an extremely weak basic (essentially neutral) compound (based on its pKa) molecule. Nitric oxide exists in all living species, ranging from bacteria to humans. In cattle, nitric oxide is involved in the metabolic pathway called the nitric oxide signaling pathway.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
(NO)(.)ChEBI
[NO]ChEBI
EDRFChEBI
Endothelium-derived relaxing factorChEBI
Mononitrogen monoxideChEBI
Monoxido de nitrogenoChEBI
Monoxyde d'azoteChEBI
Nitrogen monooxideChEBI
Nitrogen monoxideChEBI
NitrosylChEBI
NOChEBI
(.)NOChEBI
NO(.)ChEBI
Oxido de nitrogeno(II)ChEBI
Oxido nitricoChEBI
Oxyde azotiqueChEBI
Oxyde nitriqueChEBI
Stickstoff(II)-oxidChEBI
StickstoffmonoxidChEBI
INOmaxKegg
Nitrogen oxideHMDB
Nitrogen protoxideHMDB
Nitrosyl hydrideHMDB
Nitrosyl radicalHMDB
Nitroxide radicalHMDB
NitroxylHMDB
Endogenous nitrate vasodilatorMeSH, HMDB
Monoxide, nitrogenMeSH, HMDB
Nitric oxide, endothelium derivedMeSH, HMDB
Nitric oxide, endothelium-derivedMeSH, HMDB
Monoxide, mononitrogenMeSH, HMDB
Vasodilator, endogenous nitrateMeSH, HMDB
Endothelium-derived nitric oxideMeSH, HMDB
Nitrate vasodilator, endogenousMeSH, HMDB
Oxide, nitricMeSH, HMDB
Chemical FormulaNO
Average Molecular Weight30.0061
Monoisotopic Molecular Weight29.997988627
IUPAC Namenitroso
Traditional Namenitric oxide
CAS Registry Number10102-43-9
SMILES
[N]=O
InChI Identifier
InChI=1S/NO/c1-2
InChI KeyMWUXSHHQAYIFBG-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'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal oxides
Direct ParentOther non-metal oxides
Alternative Parents
Substituents
  • Other non-metal oxide
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point-163.6 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.35ChemAxon
pKa (Strongest Basic)-2.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity2.89 m³·mol⁻¹ChemAxon
Polarizability1.69 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9000000000-d182bfca83d886821e6d2016-09-22View Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-8a2dd9da1fc114d013b32015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-8a2dd9da1fc114d013b32015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-8a2dd9da1fc114d013b32015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-e998110984a05853a05d2015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-e998110984a05853a05d2015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-e998110984a05853a05d2015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-4faa0e3c79683567bab02021-09-23View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-4faa0e3c79683567bab02021-09-23View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-4faa0e3c79683567bab02021-09-23View Spectrum
Concentrations
StatusValueReferenceDetails
Detected and Quantified3.96 uM details
Detected and Quantified8.89 uM details
HMDB IDHMDB0032439
DrugBank IDDB00435
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID127983
KEGG Compound IDC00533
BioCyc IDNITRIC-OXIDE
BiGG IDNot Available
Wikipedia LinkNitric oxide
METLIN IDNot Available
PubChem Compound145068
PDB IDNot Available
ChEBI ID16480
References
Synthesis ReferenceMorabito, Paul; Heicklen, Julian. Disproportionation to combination ratios of alkoxy radicals with nitric oxide. Journal of Physical Chemistry (1985), 89(13), 2914-16.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Atakisi O, Oral H, Atakisi E, Merhan O, Metin Pancarci S, Ozcan A, Marasli S, Polat B, Colak A, Kaya S: Subclinical mastitis causes alterations in nitric oxide, total oxidant and antioxidant capacity in cow milk. Res Vet Sci. 2010 Aug;89(1):10-3. doi: 10.1016/j.rvsc.2010.01.008. Epub 2010 Feb 4. [PubMed:20132956 ]