Showing Metabocard For Hydroxylamine (HMDB0003338)

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Quantitative metabolomics services for biomarker discovery and validation.Specializing in ready to use metabolomics kits.Your source for quantitative metabolomics technologies and bioinformatics.Hmdb loaderShowing metabocard for Hydroxylamine (HMDB0003338) Jump To Section: IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2006-08-12 19:06:36 UTC
Update Date2023-02-21 17:16:36 UTC
HMDB IDHMDB0003338
Secondary Accession Numbers
  • HMDB0060880
  • HMDB03338
  • HMDB60880
Metabolite Identification
Common NameHydroxylamine
DescriptionHydroxylamine is a reactive chemical with formula NH2OH. It can be considered a hybrid of ammonia and water due to parallels it shares with each. At room temperature pure NH2OH is ordinarily a white, unstable crystalline, hygroscopic compound; however it is almost always encountered as an aqueous solution. A colorless inorganic compound (HONH2) used in organic synthesis and as a reducing agent, due to its ability to donate nitric oxide. Hydroxylamine may explode on heating. It is an irritant to the respiratory tract, skin, eyes, and other mucous membranes. It may be absorbed through the skin, is harmful if swallowed, and is a possible mutagen. NH2OH is an intermediate in the biological nitrification. The oxidation of NH3 is mediated by HAO (hydroxylamine oxidoreductase).
StructureData?1676999796MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI ×

MOL for HMDB0003338 (Hydroxylamine)

Mrv0541 02231219422D 2 1 0 0 0 0 999 V2000 18.9773 -6.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2629 -6.6170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END Download Close ×

3D MOL for HMDB0003338 (Hydroxylamine)

HMDB0003338 RDKit 3D Hydroxylamine 5 4 0 0 0 0 0 0 0 0999 V2000 -0.4010 0.0222 -0.2089 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7822 -0.2626 0.3599 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0321 -0.7780 -0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8316 0.9022 0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4826 0.1161 -0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 2 5 1 0 M END Download Close ×

3D SDF for HMDB0003338 (Hydroxylamine)

Mrv0541 02231219422D 2 1 0 0 0 0 999 V2000 18.9773 -6.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2629 -6.6170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END > <DATABASE_ID> HMDB0003338 > <DATABASE_NAME> hmdb > <SMILES> NO > <INCHI_IDENTIFIER> InChI=1S/H3NO/c1-2/h2H,1H2 > <INCHI_KEY> AVXURJPOCDRRFD-UHFFFAOYSA-N > <FORMULA> H3NO > <MOLECULAR_WEIGHT> 33.0299 > <EXACT_MASS> 33.021463723 > <JCHEM_ACCEPTOR_COUNT> 2 > <JCHEM_AVERAGE_POLARIZABILITY> 2.7762143657830944 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 2 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> hydroxylamine > <JCHEM_LOGP> -0.7404963796666666 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_ACIDIC> 17.646080927540282 > <JCHEM_PKA_STRONGEST_BASIC> 3.9363259098959786 > <JCHEM_POLAR_SURFACE_AREA> 46.25 > <JCHEM_REFRACTIVITY> 7.848700000000001 > <JCHEM_ROTATABLE_BOND_COUNT> 0 > <JCHEM_RULE_OF_FIVE> 1 > <JCHEM_TRADITIONAL_IUPAC> hydroxylamine > <JCHEM_VEBER_RULE> 0 $$$$ Download Close ×

3D-SDF for HMDB0003338 (Hydroxylamine)

HMDB0003338 RDKit 3D Hydroxylamine 5 4 0 0 0 0 0 0 0 0999 V2000 -0.4010 0.0222 -0.2089 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7822 -0.2626 0.3599 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0321 -0.7780 -0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8316 0.9022 0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4826 0.1161 -0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 2 5 1 0 M END Download Close ×

PDB for HMDB0003338 (Hydroxylamine)

HEADER PROTEIN 23-FEB-12 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-12 0 HETATM 1 O UNK 0 35.424 -11.582 0.000 0.00 0.00 O+0 HETATM 2 N UNK 0 34.091 -12.352 0.000 0.00 0.00 N+0 CONECT 1 2 CONECT 2 1 MASTER 0 0 0 0 0 0 0 0 2 0 2 0 END Download Close ×

3D PDB for HMDB0003338 (Hydroxylamine)

COMPND HMDB0003338 HETATM 1 N1 UNL 1 -0.401 0.022 -0.209 1.00 0.00 N HETATM 2 O1 UNL 1 0.782 -0.263 0.360 1.00 0.00 O HETATM 3 H1 UNL 1 -1.032 -0.778 -0.042 1.00 0.00 H HETATM 4 H2 UNL 1 -0.832 0.902 0.110 1.00 0.00 H HETATM 5 H3 UNL 1 1.483 0.116 -0.219 1.00 0.00 H CONECT 1 2 3 4 CONECT 2 5 END Download Close ×

SMILES for HMDB0003338 (Hydroxylamine)

NODownload Close ×

INCHI for HMDB0003338 (Hydroxylamine)

InChI=1S/H3NO/c1-2/h2H,1H2Download Close ×

Structure for HMDB0003338 (Hydroxylamine)

Image

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3D Structure for HMDB0003338 (Hydroxylamine)

HMDB0003338 RDKit 3D Hydroxylamine 5 4 0 0 0 0 0 0 0 0999 V2000 -0.4010 0.0222 -0.2089 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7822 -0.2626 0.3599 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0321 -0.7780 -0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8316 0.9022 0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4826 0.1161 -0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 2 5 1 0 M END CloseView in JSmolView Stereo Labels
Synonyms
ValueSource
[NH2OH]ChEBI
H2NHOChEBI
HYDROXYAMINEChEBI
HydroxylaminChEBI
OxyammoniaChEBI
NH2OHKegg
Hydroxylamine hydrochlorideMeSH
Hydroxylammonium chlorideMeSH
(1) HydroxylamineHMDB
DihydridohydroxidonitrogenHMDB
Hydroxyamine hydrochlorideHMDB
Hydroxylamine chlorideHMDB
Hydroxylamine-1-hydrochlorideHMDB
NitroxideHMDB
OxammoniumHMDB
Oxammonium hydrochlorideHMDB
Chloride, hydroxylammoniumMeSH, HMDB
Hydrochloride, hydroxylamineMeSH, HMDB
Chemical FormulaH3NO
Average Molecular Weight33.0299
Monoisotopic Molecular Weight33.021463723
IUPAC Namehydroxylamine
Traditional Namehydroxylamine
CAS Registry Number7803-49-8
SMILESNO
InChI IdentifierInChI=1S/H3NO/c1-2/h2H,1H2
InChI KeyAVXURJPOCDRRFD-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous other non-metal compounds
Sub ClassNot Available
Direct ParentHomogeneous other non-metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous other non metal
Molecular FrameworkNot Available
External Descriptors
  • hydroxylamines (CHEBI:15429 )
  • a small molecule (HYDROXYLAMINE )
Ontology
Physiological effectNot Available
DispositionBiological location
    Non-excretory biofluid
      Biofluid or Excreta
      • Blood (HMDB: HMDB0003338)
    Organ
    • Liver (HMDB: HMDB0003338)
    • Spleen (HMDB: HMDB0003338)
    • Kidney (HMDB: HMDB0003338)
    Cell
      Fibroblast
      • Fibroblast (HMDB: HMDB0003338)
    • Fibroblasts (HMDB: HMDB0003338)
    Tissue
      Epithelium
      • Epidermis (HMDB: HMDB0003338)
    Excreta
      Biofluid or Excreta
      • Urine (PMID: 21543078)
    Cellular substructure
    • Cytoplasm (HMDB: HMDB0003338)
Route of exposure
    Enteral
    • Ingestion (HMDB: HMDB0003338)
Source
    Endogenous
    • Endogenous (HMDB: HMDB0003338)
      • Plant
      • Fabaceae (HMDB: HMDB0003338)
    Exogenous
      Food
      • Food (HMDB: HMDB0003338)
        • Animal origin
          Poultry
          • Pheasant (FooDB: FOOD00430)
          • Squab (FooDB: FOOD00481)
          • Turkey (FooDB: FOOD00494)
          • Quail (FooDB: FOOD00541)
          • Anatidae (FooDB: FOOD00576)
          • Rock ptarmigan (FooDB: FOOD00597)
          • Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
          • Chicken (FooDB: FOOD00329)
          • Mallard duck (FooDB: FOOD00353)
          • Emu (FooDB: FOOD00360)
          • Greylag goose (FooDB: FOOD00368)
          • Guinea hen (FooDB: FOOD00373)
          • Ostrich (FooDB: FOOD00422)
          • Velvet duck (FooDB: FOOD00427)
          Lagomorph
          • European rabbit (FooDB: FOOD00442)
          • Rabbit (FooDB: FOOD00528)
          • Mountain hare (FooDB: FOOD00581)
          Ovis
          • Sheep (Mutton, Lamb) (FooDB: FOOD00473)
          Bovine
          • Cattle (Beef, Veal) (FooDB: FOOD00495)
          • Beefalo (FooDB: FOOD00530)
          • Bison (FooDB: FOOD00301)
          • Buffalo (FooDB: FOOD00312)
          Venison
          • Deer (FooDB: FOOD00524)
          • Mule deer (FooDB: FOOD00348)
          • Elk (FooDB: FOOD00359)
          Caprae
          • Domestic goat (FooDB: FOOD00529)
          Swine
          • Domestic pig (FooDB: FOOD00536)
          • Wild boar (FooDB: FOOD00307)
          Equine
          • Horse (FooDB: FOOD00378)
        Pulse
          Bean
          • Mung bean (FooDB: FOOD00200)
          • Gram bean (FooDB: FOOD00199)
        Milk and milk product
          Unfermented milk
          • Milk (Cow) (FooDB: FOOD00618)
ProcessNot Available
RoleBiological role
    Molecular messenger
    • Signaling molecule (HMDB: HMDB0003338)
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point33 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.74ChemAxon
pKa (Strongest Acidic)17.65ChemAxon
pKa (Strongest Basic)3.94ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area46.25 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity7.85 m³·mol⁻¹ChemAxon
Polarizability2.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic PropertiesPredicted Collision Cross Sections
PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+111.69830932474
DeepCCS[M-H]-109.90330932474
DeepCCS[M-2H]-145.09930932474
DeepCCS[M+Na]+118.56430932474
Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 20229.5448 minutes33406817
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid291.3 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid980.5 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid426.0 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid145.0 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid335.8 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid184.3 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid337.0 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid417.0 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)715.3 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid662.7 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid126.7 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid847.6 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid273.0 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid417.3 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate778.6 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA344.4 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water386.4 seconds40023050
Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
HydroxylamineNO1330.5Standard polar33892256
HydroxylamineNO569.5Standard non polar33892256
HydroxylamineNO590.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Hydroxylamine,1TMS,isomer #1C[Si](C)(C)NO725.9Semi standard non polar33892256
Hydroxylamine,1TMS,isomer #1C[Si](C)(C)NO763.8Standard non polar33892256
Hydroxylamine,1TMS,isomer #1C[Si](C)(C)NO1108.8Standard polar33892256
Hydroxylamine,2TMS,isomer #1C[Si](C)(C)N(O)[Si](C)(C)C927.3Semi standard non polar33892256
Hydroxylamine,2TMS,isomer #1C[Si](C)(C)N(O)[Si](C)(C)C923.4Standard non polar33892256
Hydroxylamine,2TMS,isomer #1C[Si](C)(C)N(O)[Si](C)(C)C1089.0Standard polar33892256
Hydroxylamine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NO963.0Semi standard non polar33892256
Hydroxylamine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NO944.6Standard non polar33892256
Hydroxylamine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NO1213.6Standard polar33892256
Hydroxylamine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(O)[Si](C)(C)C(C)(C)C1329.1Semi standard non polar33892256
Hydroxylamine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(O)[Si](C)(C)C(C)(C)C1298.2Standard non polar33892256
Hydroxylamine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(O)[Si](C)(C)C(C)(C)C1307.6Standard polar33892256
Spectra
GC-MS Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Hydroxylamine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-00di-9800000000-40500c2ce42330f68e232014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Hydroxylamine GC-MS (3 TMS)splash10-001j-1900000000-380d2510f339c8852cae2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Hydroxylamine GC-EI-TOF (Non-derivatized)splash10-00di-9800000000-40500c2ce42330f68e232017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Hydroxylamine GC-MS (Non-derivatized)splash10-001j-1900000000-380d2510f339c8852cae2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Hydroxylamine GC-EI-TOF (Non-derivatized)splash10-00m1-1900000000-7c1a1a9c2955e5f4d75e2017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hydroxylamine GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9000000000-6a1320306a7bbc43c2582017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hydroxylamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hydroxylamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
MS/MS Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Hydroxylamine Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-001i-9000000000-17862dd274dc5ae95e9b2012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hydroxylamine Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-001i-9000000000-c7d671f97d82bbe3e4582012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hydroxylamine Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-001i-9000000000-36b50bedfc3b86b95fdf2012-07-25HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxylamine 10V, Positive-QTOFsplash10-001i-9000000000-190eddac91b76eed90652017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxylamine 20V, Positive-QTOFsplash10-001i-9000000000-190eddac91b76eed90652017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxylamine 40V, Positive-QTOFsplash10-001i-9000000000-190eddac91b76eed90652017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxylamine 10V, Negative-QTOFsplash10-001i-9000000000-20928e005423160892f32017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxylamine 20V, Negative-QTOFsplash10-001i-9000000000-20928e005423160892f32017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxylamine 40V, Negative-QTOFsplash10-001i-9000000000-20928e005423160892f32017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxylamine 10V, Positive-QTOFsplash10-001i-9000000000-190eddac91b76eed90652021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxylamine 20V, Positive-QTOFsplash10-001i-9000000000-190eddac91b76eed90652021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxylamine 40V, Positive-QTOFsplash10-001i-9000000000-190eddac91b76eed90652021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxylamine 10V, Negative-QTOFsplash10-001i-9000000000-6c136ec6f9ff4bb554452021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxylamine 20V, Negative-QTOFsplash10-001i-9000000000-6c136ec6f9ff4bb554452021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxylamine 40V, Negative-QTOFsplash10-001i-9000000000-6c136ec6f9ff4bb554452021-09-23Wishart LabView Spectrum
IR Spectra
Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Epidermis
  • Fibroblasts
  • Kidney
  • Liver
  • Spleen
PathwaysNot Available
NameSMPDB/PathBankKEGG
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
 details
UrineDetected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
    • 21543078
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothBladder cancer
    • 28157703
details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB007499
KNApSAcK IDC00053330
Chemspider ID766
KEGG Compound IDC00192
BioCyc IDHYDROXYLAMINE
BiGG IDNot Available
Wikipedia LinkHydroxylamine
METLIN ID6894
PubChem Compound787
PDB IDNot Available
ChEBI ID15429
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Lin J, Cashman JR: Detoxication of tyramine by the flavin-containing monooxygenase: stereoselective formation of the trans oxime. Chem Res Toxicol. 1997 Aug;10(8):842-52. [PubMed:9282832 ]
  2. Yang X, Arosio P, Chasteen ND: Molecular diffusion into ferritin: pathways, temperature dependence, incubation time, and concentration effects. Biophys J. 2000 Apr;78(4):2049-59. [PubMed:10733983 ]
  3. Atamna H, Robinson C, Ingersoll R, Elliott H, Ames BN: N-t-Butyl hydroxylamine is an antioxidant that reverses age-related changes in mitochondria in vivo and in vitro. FASEB J. 2001 Oct;15(12):2196-204. [PubMed:11641246 ]
  4. Cribb AE, Spielberg SP: Sulfamethoxazole is metabolized to the hydroxylamine in humans. Clin Pharmacol Ther. 1992 May;51(5):522-6. [PubMed:1587066 ]
  5. Alonso A, Meirelles NC, Tabak M: Stratum corneum intercellular lipid as compared to erythrocyte ghosts: an ESR study of thermotropic behavior and nitroxide reduction. Electron Spin Resonance. Physiol Chem Phys Med NMR. 1995;27(1):63-72. [PubMed:7617746 ]
  6. Fuchs J, Freisleben HJ, Podda M, Zimmer G, Milbradt R, Packer L: Nitroxide radical biostability in skin. Free Radic Biol Med. 1993 Oct;15(4):415-23. [PubMed:8225023 ]
  7. Kurian JR, Bajad SU, Miller JL, Chin NA, Trepanier LA: NADH cytochrome b5 reductase and cytochrome b5 catalyze the microsomal reduction of xenobiotic hydroxylamines and amidoximes in humans. J Pharmacol Exp Ther. 2004 Dec;311(3):1171-8. Epub 2004 Aug 9. [PubMed:15302896 ]
  8. Coleman MD, Jacobus DP: Reduction of dapsone hydroxylamine to dapsone during methaemoglobin formation in human erythrocytes in vitro--II. Movement of dapsone across a semipermeable membrane into erythrocytes and plasma. Biochem Pharmacol. 1993 Oct 19;46(8):1363-8. [PubMed:8240384 ]
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