<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-19 07:42:52 UTC</creation_date>
  <update_date>2026-08-19 07:42:52 UTC</update_date>
  <accession/>
  <common_name>2-amino-2-[(2r,3s,5s,6r)-5-amino-2-methyl-6-[(2r,3s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid</common_name>
  <class>SmallMolecule</class>
  <description>2-amino-2-[(2r,3s,5s,6r)-5-amino-2-methyl-6-[(2r,3s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. This compound has the chemical formula C14H25N3O9 and an average molecular weight of 379.36 g/mol.

The substance is identified in seven recorded sources across diverse sectors. Within the food, food processing and cookware category, it is associated with the preparation of malt and fermentation processes for beer. It is also found in household cleaning and consumer products, specifically in cigar cigarettes. Additionally, the compound is released from sources in the electrical and electronic equipment sector, including television systems and magnets, as well as from building and construction materials such as tents, canopies, and floors.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C14H25N3O9</chemical_formula>
  <average_molecular_weight>379.36</average_molecular_weight>
  <monisotopic_moleculate_weight>379.1590794</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>6980-18-3</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)/t3-,4+,5+,6?,7+,8+,9-,10+,11?,14-/m1/s1</inchi>
  <inchikey>PVTHJAPFENJVNC-UQTMRZPGSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-6.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>379.36</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>379.1590794</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C14H25N3O9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)/t3-,4+,5+,6?,7+,8+,9-,10+,11?,14-/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PVTHJAPFENJVNC-UQTMRZPGSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227b7e120&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>65174</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
