<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-31 20:40:13 UTC</creation_date>
  <update_date>2026-05-20 19:26:53 UTC</update_date>
  <accession/>
  <common_name>Cefetecol</common_name>
  <class>SmallMolecule</class>
  <description>Cefetecol is an organoheterocyclic compound with the formula C20H17N5O9S2. Cefetecol belongs to the beta lactams, a subclass of lactams within the organic compounds. With an average molecular weight of 535.50 g/mol, Cefetecol is a heavy molecule. This compound is found in or released from one recorded source: healthcare, pharmaceuticals &amp; veterinary products, specifically as an antibiotic. Recorded exposure routes for this substance include inhalation and oral administration.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(6R,7R)-7-(((2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-((carboxy(3,4-dihydroxyphenyl)methoxy)imino)acetyl)amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid</synonym>
    <synonym>(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[carboxy(3,4-dihydroxyphenyl)methoxy]imino}acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid</synonym>
    <synonym>5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[[carboxy(3,4-dihydroxyphenyl)methoxy]imino]-1-oxoethyl]amino]-8-oxo-, (6R,7R)-</synonym>
    <synonym>Cefetecol</synonym>
    <synonym>GR 69153X</synonym>
  </synonyms>
  <chemical_formula>C20H17N5O9S2</chemical_formula>
  <average_molecular_weight>535.5</average_molecular_weight>
  <monisotopic_moleculate_weight>535.046769</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>NC1=NC(=CS1)C(=NO[C@H](C(O)=O)C1=CC(O)=C(O)C=C1)C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O</smiles>
  <inchi>InChI=1S/C20H17N5O9S2/c21-20-22-8(6-36-20)12(24-34-14(19(32)33)7-1-2-10(26)11(27)5-7)15(28)23-13-16(29)25-9(18(30)31)3-4-35-17(13)25/h1-3,5-6,13-14,17,26-27H,4H2,(H2,21,22)(H,23,28)(H,30,31)(H,32,33)/b24-12-/t13-,14?,17-/m1/s1</inchi>
  <inchikey>ILZCDOYRDFDUPN-NKBFHHLISA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Lactams</class>
    <sub_class>Beta lactams</sub_class>
    <direct_parent>Cephalosporins</direct_parent>
    <alternate_parents>
      <alternative_parent>1,3-thiazines</alternative_parent>
      <alternative_parent>1-hydroxy-2-unsubstituted benzenoids</alternative_parent>
      <alternative_parent>1-hydroxy-4-unsubstituted benzenoids</alternative_parent>
      <alternative_parent>2,4-disubstituted thiazoles</alternative_parent>
      <alternative_parent>2-amino-1,3-thiazoles</alternative_parent>
      <alternative_parent>Amino acids</alternative_parent>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Azetidines</alternative_parent>
      <alternative_parent>Benzene and substituted derivatives</alternative_parent>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Carboxylic acids</alternative_parent>
      <alternative_parent>Catechols</alternative_parent>
      <alternative_parent>Dialkylthioethers</alternative_parent>
      <alternative_parent>Dicarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Heteroaromatic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>N-acyl-alpha amino acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Primary amines</alternative_parent>
      <alternative_parent>Secondary carboxylic acid amides</alternative_parent>
      <alternative_parent>Tertiary carboxylic acid amides</alternative_parent>
      <alternative_parent>Thiohemiaminal derivatives</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>1,3-thiazol-2-amine</substituent>
      <substituent>1-hydroxy-2-unsubstituted benzenoid</substituent>
      <substituent>1-hydroxy-4-unsubstituted benzenoid</substituent>
      <substituent>2,4-disubstituted 1,3-thiazole</substituent>
      <substituent>Alpha-amino acid or derivatives</substituent>
      <substituent>Amine</substituent>
      <substituent>Amino acid</substituent>
      <substituent>Amino acid or derivatives</substituent>
      <substituent>Aromatic heteropolycyclic compound</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Azetidine</substituent>
      <substituent>Azole</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxamide group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Catechol</substituent>
      <substituent>Cephalosporin</substituent>
      <substituent>Dialkylthioether</substituent>
      <substituent>Dicarboxylic acid or derivatives</substituent>
      <substituent>Hemithioaminal</substituent>
      <substituent>Heteroaromatic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Meta-thiazine</substituent>
      <substituent>Monocyclic benzene moiety</substituent>
      <substituent>N-acyl-alpha amino acid or derivatives</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Phenol</substituent>
      <substituent>Primary amine</substituent>
      <substituent>Secondary carboxylic acid amide</substituent>
      <substituent>Tertiary carboxylic acid amide</substituent>
      <substituent>Thiazole</substituent>
      <substituent>Thioether</substituent>
    </substituents>
    <molecular_framework>Aromatic heteropolycyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>535.5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>535.046769</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>NC1=NC(=CS1)C(=NO[C@H](C(O)=O)C1=CC(O)=C(O)C=C1)C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C20H17N5O9S2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C20H17N5O9S2/c21-20-22-8(6-36-20)12(24-34-14(19(32)33)7-1-2-10(26)11(27)5-7)15(28)23-13-16(29)25-9(18(30)31)3-4-35-17(13)25/h1-3,5-6,13-14,17,26-27H,4H2,(H2,21,22)(H,23,28)(H,30,31)(H,32,33)/b24-12-/t13-,14?,17-/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ILZCDOYRDFDUPN-NKBFHHLISA-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:0x00007f7227463700&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>20055438</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>16736861</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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  </targets>
</compound>
