<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-31 20:39:59 UTC</creation_date>
  <update_date>2026-08-31 03:28:54 UTC</update_date>
  <accession/>
  <common_name>Cephamycin B</common_name>
  <class>SmallMolecule</class>
  <description>Cephamycin B is an organoheterocyclic compound with the formula C25H29N3O11S1. Cephamycin B belongs to the beta lactams, a subclass of lactams within the organic compounds. With an average molecular weight of 579.60 g/mol, Cephamycin B is a heavy molecule. This compound is found in healthcare, pharmaceuticals, and veterinary products as an antibiotic. Recorded exposure routes for Cephamycin B include inhalation and oral administration.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(6R,7S)-7-{[(5R)-5-Amino-5-carboxypentanoyl]amino}-3-({[(2Z)-3-(4-hydroxyphenyl)-2-methoxy-2-propenoyl]oxy}methyl)-7-methoxy-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-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3-[[[(2Z)-3-(4-hydroxyphenyl)-2-methoxy-1-oxo-2-propen-1-yl]oxy]methyl]-7-methoxy-8-oxo-, (6R,7S)-</synonym>
    <synonym>Cephamycin B</synonym>
  </synonyms>
  <chemical_formula>C25H29N3O11S1</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>579.15228</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>34279-77-1</cas_registry_number>
  <smiles>CO/C(=C\C1=CC=C(C=C1)O)/C(=O)OCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CCC[C@H](C(=O)O)N)OC)SC2)C(=O)O</smiles>
  <inchi>InChI=1S/C25H29N3O11S/c1-37-17(10-13-6-8-15(29)9-7-13)22(35)39-11-14-12-40-24-25(38-2,23(36)28(24)19(14)21(33)34)27-18(30)5-3-4-16(26)20(31)32/h6-10,16,24,29H,3-5,11-12,26H2,1-2H3,(H,27,30)(H,31,32)(H,33,34)/b17-10-/t16-,24-,25+/m1/s1</inchi>
  <inchikey>BVOBPJWSXSKGOO-MYWSHXOVSA-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>-1.8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>579.15228</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CO/C(=C\C1=CC=C(C=C1)O)/C(=O)OCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CCC[C@H](C(=O)O)N)OC)SC2)C(=O)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C25H29N3O11S1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C25H29N3O11S/c1-37-17(10-13-6-8-15(29)9-7-13)22(35)39-11-14-12-40-24-25(38-2,23(36)28(24)19(14)21(33)34)27-18(30)5-3-4-16(26)20(31)32/h6-10,16,24,29H,3-5,11-12,26H2,1-2H3,(H,27,30)(H,31,32)(H,33,34)/b17-10-/t16-,24-,25+/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BVOBPJWSXSKGOO-MYWSHXOVSA-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:0x00007f3bbfe86050&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>6912218</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>5288572</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
    <target>
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  </targets>
</compound>
