<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-31 20:44:30 UTC</creation_date>
  <update_date>2026-05-20 19:27:18 UTC</update_date>
  <accession/>
  <common_name>Carpetimycin A</common_name>
  <class>SmallMolecule</class>
  <description>Carpetimycin A is an organoheterocyclic compound with the formula C14H18N2O6S1. Carpetimycin A belongs to the beta lactams, a subclass of lactams within the organic compounds. This compound is found in or released from one recorded source: healthcare, pharmaceuticals &amp; veterinary products (Antibiotics). Recorded exposure routes for the substance include oral and inhalation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(5R,6R)-3-{[(E)-2-Acetamidovinyl]sulfinyl}-6-(2-hydroxy-2-propanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid</synonym>
    <synonym>1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(E)-2-(acetylamino)ethenyl]sulfinyl]-6-(1-hydroxy-1-methylethyl)-7-oxo-, (5R,6R)-</synonym>
    <synonym>Antibiotic Ab 651</synonym>
    <synonym>Antibiotic C-19393 H2</synonym>
    <synonym>Antibiotic KA6643-A</synonym>
    <synonym>C 19393-H2</synonym>
    <synonym>C-19393 H2</synonym>
    <synonym>carpetimycin A</synonym>
    <synonym>Sulfonium, [(E)-2-(acetylamino)ethenyl][(5R,6R)-2-carboxy-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]hydroxy-, inner salt</synonym>
    <synonym>[(E)-2-Acetamidovinyl][(5R,6R)-2-carboxy-6-(2-hydroxy-2-propanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfoniumolate</synonym>
    <synonym>[5R-[3-[R*(E)],5a,6b]]-3-[[2-(Acetylamino)ethenyl]sulfinyl]-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid</synonym>
  </synonyms>
  <chemical_formula>C14H18N2O6S1</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>342.088557</monisotopic_moleculate_weight>
  <iupac_name>(5R,6R)-3-[(E)-2-[(1-hydroxyethylidene)amino]ethenesulfinyl]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid</iupac_name>
  <traditional_iupac>(5R,6R)-3-[(E)-2-[(1-hydroxyethylidene)amino]ethenesulfinyl]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid</traditional_iupac>
  <cas_registry_number>76025-73-5</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C14H18N2O6S/c1-7(17)15-4-5-23(22)9-6-8-10(14(2,3)21)12(18)16(8)11(9)13(19)20/h4-5,8,10,21H,6H2,1-3H3,(H,15,17)(H,19,20)/b5-4+/t8-,10+,23?/m1/s1</inchi>
  <inchikey>FWWJFXYMDLTDNO-QELQWMBQSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Lactams</class>
    <sub_class>Beta lactams</sub_class>
    <direct_parent>Carbapenems</direct_parent>
    <alternate_parents>
      <alternative_parent>Acetamides</alternative_parent>
      <alternative_parent>Alpha amino acids and derivatives</alternative_parent>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Azepines</alternative_parent>
      <alternative_parent>Azetidines</alternative_parent>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Carboxylic acids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organonitrogen compounds</alternative_parent>
      <alternative_parent>Pyrroline carboxylic acids</alternative_parent>
      <alternative_parent>Secondary carboxylic acid amides</alternative_parent>
      <alternative_parent>Sulfinyl compounds</alternative_parent>
      <alternative_parent>Sulfoxides</alternative_parent>
      <alternative_parent>Tertiary alcohols</alternative_parent>
      <alternative_parent>Tertiary carboxylic acid amides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Acetamide</substituent>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic heteropolycyclic compound</substituent>
      <substituent>Alpha-amino acid or derivatives</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Azepine</substituent>
      <substituent>Azetidine</substituent>
      <substituent>Carbapenem</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxamide group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocarboxylic 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>Organosulfur compound</substituent>
      <substituent>Pyrroline</substituent>
      <substituent>Pyrroline carboxylic acid</substituent>
      <substituent>Pyrroline carboxylic acid or derivatives</substituent>
      <substituent>Secondary carboxylic acid amide</substituent>
      <substituent>Sulfinyl compound</substituent>
      <substituent>Sulfoxide</substituent>
      <substituent>Tertiary alcohol</substituent>
      <substituent>Tertiary carboxylic acid amide</substituent>
    </substituents>
    <molecular_framework>Aliphatic 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>logp</kind>
      <value>-0.09</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.52</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.04e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>-3.9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>2.44</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>3.71</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>(5R,6R)-3-[(E)-2-[(1-hydroxyethylidene)amino]ethenesulfinyl]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>342.088557</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C14H18N2O6S1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C14H18N2O6S/c1-7(17)15-4-5-23(22)9-6-8-10(14(2,3)21)12(18)16(8)11(9)13(19)20/h4-5,8,10,21H,6H2,1-3H3,(H,15,17)(H,19,20)/b5-4+/t8-,10+,23?/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>FWWJFXYMDLTDNO-QELQWMBQSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>127.5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>84.1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>33.29</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</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:0x00007f7222f14e38&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>6443436</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>16736111</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>
