<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-31 21:14:28 UTC</creation_date>
  <update_date>2026-08-31 04:42:53 UTC</update_date>
  <accession/>
  <common_name>Tuberactinomycin O</common_name>
  <class>SmallMolecule</class>
  <description>Tuberactinomycin O belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. With an average molecular weight of 669.70 g/mol, Tuberactinomycin O is a heavy molecule. It has the chemical formula C25H43N13O9 and is classified under the superclass of organic acids and derivatives. This compound is found in or released from one recorded source: healthcare, pharmaceuticals &amp; veterinary products (Antibiotics). Recorded exposure routes for Tuberactinomycin O include inhalation and oral administration.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(3S)-3,6-Diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4R)-2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl]-6-[(carbamoylamino)methylene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-1u000du000a5-yl]hexanamide</synonym>
    <synonym>(3S)-3,6-Diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]-6-[(carbamoylamino)methylene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15-yl]hexanamide</synonym>
    <synonym>(R)-6-[L-2-(2-Amino-1,4,5,6-tetrahydro-4-pyrimidinyl)glycine]viomycin</synonym>
    <synonym>hexanamide, 3,6-diamino-N-[(3S,6Z,9S,12S,15S)-6-[[(aminocarbonyl)amino]methylene]-3-[(4R)-2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadec-15-yl]-, (3S)-</synonym>
    <synonym>Hexanamide, 3,6-diamino-N-[(3S,6Z,9S,12S,15S)-6-[[(aminocarbonyl)amino]methylene]-3-[(4R)-2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacycu000du000alohexadec-15-yl]-, (3S)-</synonym>
    <synonym>Tuberactinomycin O</synonym>
    <synonym>tuberactinomycin-O</synonym>
    <synonym>UNII-OQ1TOK294V</synonym>
    <synonym>UNII:OQ1TOK294V</synonym>
  </synonyms>
  <chemical_formula>C25H43N13O9</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>669.33067</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>33137-73-4</cas_registry_number>
  <smiles>C1CNC(=N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H](CCCN)N)N</smiles>
  <inchi>InChI=1S/C25H43N13O9/c26-4-1-2-11(27)6-17(41)33-13-7-31-23(46)18(12-3-5-30-24(28)37-12)38-20(43)14(8-32-25(29)47)34-21(44)15(9-39)36-22(45)16(10-40)35-19(13)42/h8,11-13,15-16,18,39-40H,1-7,9-10,26-27H2,(H,31,46)(H,33,41)(H,34,44)(H,35,42)(H,36,45)(H,38,43)(H3,28,30,37)(H3,29,32,47)/b14-8-/t11-,12+,13-,15-,16-,18-/m0/s1</inchi>
  <inchikey>IJLXXTHFOUHWGE-XGRXGJMSSA-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>-6.4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>669.33067</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C1CNC(=N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H](CCCN)N)N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C25H43N13O9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C25H43N13O9/c26-4-1-2-11(27)6-17(41)33-13-7-31-23(46)18(12-3-5-30-24(28)37-12)38-20(43)14(8-32-25(29)47)34-21(44)15(9-39)36-22(45)16(10-40)35-19(13)42/h8,11-13,15-16,18,39-40H,1-7,9-10,26-27H2,(H,31,46)(H,33,41)(H,34,44)(H,35,42)(H,36,45)(H,38,43)(H3,28,30,37)(H3,29,32,47)/b14-8-/t11-,12+,13-,15-,16-,18-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>IJLXXTHFOUHWGE-XGRXGJMSSA-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:0x00007f3bf85fe610&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>20055058</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>16736075</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>
