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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:45:32 UTC
Update Date2017-12-07 03:34:38 UTC
HMDB IDHMDB0034830
Secondary Accession Numbers
  • HMDB34830
Metabolite Identification
Common NameAmidosulfonic acid
DescriptionAmidosulfonic acid, also known as sulfamic acid or sulfamate, is a member of the class of compounds known as other non-metal oxides. Other non-metal oxides 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'. Amidosulfonic acid has a bland and fatty taste. Amidosulfonic acid can be found primarily in blood and urine, as well as in human kidney and liver tissues. Sulfamic acid (H3NSO3) may be considered an intermediate compound between sulfuric acid (H2SO4), and sulfamide (H4N2SO2), effectively replacing an –OH group with an –NH2 group at each step. This pattern can extend no further in either direction without breaking down the –SO2 group. Sulfamates are derivatives of sulfamic acid (Wikipedia). Amidosulfonic acid is a food contaminant arising from its use as an ingredient of paper and paperboard products used in packagin.
Structure
Thumb
Synonyms
ValueSource
[S(NH2)O2(OH)]ChEBI
AmidoschwefelsaeureChEBI
Amidosulfuric acidChEBI
Aminosulfonic acidChEBI
Imidosulfonic acidChEBI
Sulfamidic acidChEBI
SulfamidsaeureChEBI
Sulfaminic acidChEBI
Sulphamic acidChEBI
Sulphamidic acidChEBI
AmidosulfonateGenerator
AmidosulphonateGenerator
Amidosulphonic acidGenerator
AmidosulfateGenerator
AmidosulphateGenerator
Amidosulphuric acidGenerator
AminosulfonateGenerator
AminosulphonateGenerator
Aminosulphonic acidGenerator
ImidosulfonateGenerator
ImidosulphonateGenerator
Imidosulphonic acidGenerator
SulfamidateGenerator
SulphamidateGenerator
SulphamidsaeureGenerator
SulfaminateGenerator
SulphaminateGenerator
Sulphaminic acidGenerator
SulfamateGenerator
Sulfamic acidGenerator
SulphamateGenerator
7773-06-0 (mono-Ammonium salt)HMDB
AmidohydroxidodioxidosulfurHMDB
Aminosulfuric acidHMDB
JumboHMDB
Sulfamic acid, acsHMDB
Sulfamic acid, reagHMDB
Sulfuramidic acidHMDB
Sulfamic acid, monopotassium saltMeSH
Sulfamic acid, nickel (+2) salt (2:1)MeSH
Sulfamic acid, tin (+2) saltMeSH
Sulfamic acid, zinc (2:1) saltMeSH
AmmateMeSH
Sulfamic acid, magnesium salt (2:1)MeSH
Sulfamic acid, monoammonium saltMeSH
Ammonium sulfamateMeSH
Sulfamic acid, indium (+3) saltMeSH
Chemical FormulaH3NO3S
Average Molecular Weight97.094
Monoisotopic Molecular Weight96.983363657
IUPAC Namesulfamic acid
Traditional Namesulfonic acids
CAS Registry Number5329-14-6
SMILES
NS(O)(=O)=O
InChI Identifier
InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
InChI KeyIIACRCGMVDHOTQ-UHFFFAOYSA-N
Chemical Taxonomy
DescriptionThis compound 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
  • Sulfuric acid monoamide
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition

Biological location:

  Subcellular:

  Cell and elements:

  Biofluid and excreta:

  Organ and components:

Source:

Role

Biological role:

Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting Point205 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility147 mg/mL at 0 °CNot Available
LogP0.10Not Available
Predicted Properties
PropertyValueSource
logP-1.4ChemAxon
pKa (Strongest Acidic)-1.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area80.39 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity15.31 m³·mol⁻¹ChemAxon
Polarizability6.97 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9000000000-b80de3cb8454bb1abeb5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-efeb3d84c84231391b2fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-040d54c18f68ee2f3646View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-ff40a709e1e93f1f4c0cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-89cae7eef527dd2813beView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-2741d39506877b30d906View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-3f3ec45c890281a9c57cView in MoNA
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid Locations
  • Blood
  • Urine
Tissue Location
  • Kidney
  • Liver
PathwaysNot Available
NameSMPDB/PathwhizKEGG
Normal Concentrations
BiofluidStatusValueAgeSexConditionReferenceDetails
BloodExpected but not Quantified Not AvailableNot AvailableNormal
    details
    UrineExpected but not Quantified Not AvailableNot AvailableNormal
      details
      Abnormal Concentrations
      Not Available
      Associated Disorders and Diseases
      Disease ReferencesNone
      Associated OMIM IDsNone
      DrugBank IDNot Available
      Phenol Explorer Compound IDNot Available
      FoodDB IDFDB013393
      KNApSAcK IDNot Available
      Chemspider ID5767
      KEGG Compound IDNot Available
      BioCyc IDNot Available
      BiGG IDNot Available
      Wikipedia LinkSulfamic_acid
      METLIN IDNot Available
      PubChem Compound5987
      PDB IDNot Available
      ChEBI ID9330
      References
      Synthesis ReferenceNot Available
      Material Safety Data Sheet (MSDS)Not Available
      General References
      1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .