<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-31 18:52:08 UTC</creation_date>
  <update_date>2026-05-14 19:39:54 UTC</update_date>
  <accession/>
  <common_name>Nigericin</common_name>
  <class>SmallMolecule</class>
  <description>Nigericin is an organic oxygen compound with the chemical formula C40H68O11. Nigericin belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 724.97 g/mol, Nigericin is a heavy molecule.

This compound is found in or released from two recorded sources: indoor air (air, dust &amp; atmospheric transport) and antibiotics (healthcare, pharmaceuticals &amp; veterinary products). Exposure routes for this substance include oral and inhalation. Regarding health effects, Nigericin is associated with shock (PMC5465353).</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(2R)-2-[(2R,3S,6R)-6-{[(2S,4R,5R,7R,9R,10R)-2-{(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2,3'-dimethyloctahydro-2,2'-bifuran-5-yl}-9-metho</synonym>
    <synonym>74670</synonym>
    <synonym>Antibiotic K 178</synonym>
    <synonym>Antibiotic X-464</synonym>
    <synonym>Azalomycin M</synonym>
    <synonym>BSPBio_001599</synonym>
    <synonym>E'Nigericin'</synonym>
    <synonym>Helix C</synonym>
    <synonym>Helixin C</synonym>
    <synonym>Nigericin</synonym>
    <synonym>NIGERICIN SODIUM</synonym>
    <synonym>Polyetherin A</synonym>
    <synonym>UNII-RRU6GY95IS</synonym>
    <synonym>UNII:RRU6GY95IS</synonym>
    <synonym>xy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl]methyl}-3-methyltetrahydro-2H-pyran-2-yl]propanoic acid</synonym>
  </synonyms>
  <chemical_formula>C40H68O11</chemical_formula>
  <average_molecular_weight>724.973</average_molecular_weight>
  <monisotopic_moleculate_weight>724.476163</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>28380-24-7</cas_registry_number>
  <smiles>CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@@H](O2)[C@@H](C)C(O)=O)O[C@]2(O[C@@](C)(C[C@H]2C)[C@H]2CC[C@](C)(O2)[C@@H]2O[C@H](C[C@@H]2C)[C@H]2O[C@@](O)(CO)[C@H](C)C[C@@H]2C)[C@@H]1C</smiles>
  <inchi>InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+/m0/s1</inchi>
  <inchikey>DANUORFCFTYTSZ-SJSJOXFOSA-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>6.11</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>724.973</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>724.476163</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@@H](O2)[C@@H](C)C(O)=O)O[C@]2(O[C@@](C)(C[C@H]2C)[C@H]2CC[C@](C)(O2)[C@@H]2O[C@H](C[C@@H]2C)[C@H]2O[C@@](O)(CO)[C@H](C)C[C@@H]2C)[C@@H]1C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C40H68O11</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DANUORFCFTYTSZ-SJSJOXFOSA-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:0x00007f72263b3fe0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB14056</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>34230</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>10196461</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
