<?xml version="1.0" encoding="UTF-8"?>
<metabolite>
  <version>1.0</version>
  <creation_date>2016-09-30 23:18:54 UTC</creation_date>
  <update_date>2020-04-22 15:16:26 UTC</update_date>
  <accession>BMDB0005814</accession>
  <secondary_accessions>
    <accession>BMDB05814</accession>
  </secondary_accessions>
  <name>Testosterone enanthate</name>
  <description/>
  <synonyms>
    <synonym>17-((1-Oxoheptyl)oxy)androst-4-en-3-one</synonym>
    <synonym>17-Hydroxyandrost-4-en-3-one, 17-heptanoate</synonym>
    <synonym>17beta-Hydroxyandrost-4-en-3-one heptanoate</synonym>
    <synonym>Testosterone 17-enanthate</synonym>
    <synonym>Testosterone heptanoate</synonym>
    <synonym>Delatestryl</synonym>
    <synonym>17-Hydroxyandrost-4-en-3-one, 17-heptanoic acid</synonym>
    <synonym>17b-Hydroxyandrost-4-en-3-one heptanoate</synonym>
    <synonym>17b-Hydroxyandrost-4-en-3-one heptanoic acid</synonym>
    <synonym>17beta-Hydroxyandrost-4-en-3-one heptanoic acid</synonym>
    <synonym>17Β-hydroxyandrost-4-en-3-one heptanoate</synonym>
    <synonym>17Β-hydroxyandrost-4-en-3-one heptanoic acid</synonym>
    <synonym>Testosterone 17-enanthic acid</synonym>
    <synonym>Testosterone heptanoic acid</synonym>
    <synonym>Testosterone enanthic acid</synonym>
    <synonym>17beta-Enanthoxyandrost-4-en-3-one</synonym>
    <synonym>17beta-Hydroxyandrost-4-en-3-one enanthate</synonym>
    <synonym>4-Androsten-17beta-ol-3-one 17-enanthate</synonym>
    <synonym>4-Androsten-3-one 17beta-enanthate</synonym>
    <synonym>Androgyn l.a.</synonym>
    <synonym>Andropository</synonym>
    <synonym>Androtardyl</synonym>
    <synonym>Atlatest</synonym>
    <synonym>DEA no. 4000</synonym>
    <synonym>Delatest</synonym>
    <synonym>DePatestrye</synonym>
    <synonym>depo-testro Med</synonym>
    <synonym>Ditate</synonym>
    <synonym>Durathate</synonym>
    <synonym>Everone</synonym>
    <synonym>Exten test</synonym>
    <synonym>Malogen l.a.</synonym>
    <synonym>Malogen l.a.200</synonym>
    <synonym>Orquisteron-e</synonym>
    <synonym>Primotestone</synonym>
    <synonym>reposo TMD</synonym>
    <synonym>Testanthate</synonym>
    <synonym>Testate</synonym>
    <synonym>Testenate</synonym>
    <synonym>Testinon</synonym>
    <synonym>Testoenant</synonym>
    <synonym>Testonenant</synonym>
    <synonym>Testosterone 17beta-heptanoate</synonym>
    <synonym>Testosterone 17beta-heptanoic acid</synonym>
    <synonym>Testosterone enantate</synonym>
    <synonym>Testosterone heptoate</synonym>
    <synonym>Testosterone heptoic acid</synonym>
    <synonym>Testosterone heptylate</synonym>
    <synonym>Testosterone oenanthate</synonym>
    <synonym>Testostroval</synonym>
    <synonym>BTG Brand OF testosterone enanthate</synonym>
    <synonym>Jenapharm brand OF testosterone enanthate</synonym>
    <synonym>Rotexmedica brand OF testosterone enanthate</synonym>
    <synonym>Testosteron-depot jenapharm</synonym>
    <synonym>Pasadena brand OF testosterone enanthate</synonym>
    <synonym>Primoteston depot</synonym>
    <synonym>Rugby brand OF testosterone enanthate</synonym>
    <synonym>Testosteron depot-rotexmedica</synonym>
    <synonym>Testosteron-depot eifelfango</synonym>
    <synonym>Testrin p.a.</synonym>
    <synonym>Roberts brand OF testosterone enanthate</synonym>
    <synonym>eifelfango Brand OF testosterone enanthate</synonym>
    <synonym>Schering brand OF testosterone enanthate</synonym>
    <synonym>Theramed brand OF testosterone enanthate</synonym>
    <synonym>Theramex</synonym>
  </synonyms>
  <chemical_formula>C26H40O3</chemical_formula>
  <average_molecular_weight>400.594</average_molecular_weight>
  <monisotopic_moleculate_weight>400.297745146</monisotopic_moleculate_weight>
  <iupac_name>(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl heptanoate</iupac_name>
  <traditional_iupac>everone</traditional_iupac>
  <cas_registry_number>315-37-7</cas_registry_number>
  <smiles>[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C</smiles>
  <inchi>InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1</inchi>
  <inchikey>VOCBWIIFXDYGNZ-IXKNJLPQSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group.</description>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Steroids and steroid derivatives</class>
    <sub_class>Steroid esters</sub_class>
    <direct_parent>Steroid esters</direct_parent>
    <alternative_parents>
      <alternative_parent>3-oxo delta-4-steroids</alternative_parent>
      <alternative_parent>Androgens and derivatives</alternative_parent>
      <alternative_parent>Carboxylic acid esters</alternative_parent>
      <alternative_parent>Cyclohexenones</alternative_parent>
      <alternative_parent>Delta-4-steroids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>3-oxo-delta-4-steroid</substituent>
      <substituent>3-oxosteroid</substituent>
      <substituent>Aliphatic homopolycyclic compound</substituent>
      <substituent>Androgen-skeleton</substituent>
      <substituent>Androstane-skeleton</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Carboxylic acid ester</substituent>
      <substituent>Cyclic ketone</substituent>
      <substituent>Cyclohexenone</substituent>
      <substituent>Delta-4-steroid</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Ketone</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Oxosteroid</substituent>
      <substituent>Steroid ester</substituent>
    </substituents>
    <molecular_framework>Aliphatic homopolycyclic compounds</molecular_framework>
    <external_descriptors>
      <external_descriptor>C19 steroids (androgens) and derivatives</external_descriptor>
      <external_descriptor>C19 steroids (androgens) and derivatives</external_descriptor>
      <external_descriptor>enanthate ester</external_descriptor>
      <external_descriptor>sterol ester</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <experimental_properties>
    <state>Solid</state>
    <property>
      <kind>melting_point</kind>
      <value>36 - 37.5 °C</value>
      <source/>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>5.11</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-5.94</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>6.29</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>19.09</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-4.8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl heptanoate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>400.594</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>400.297745146</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C26H40O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>VOCBWIIFXDYGNZ-IXKNJLPQSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>43.37</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>116.61</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>49.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>number_of_rings</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>bioavailability</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rule_of_five</kind>
      <value>Yes</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>ghose_filter</kind>
      <value>Yes</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>veber_rule</kind>
      <value>Yes</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mddr_like_rule</kind>
      <value>Yes</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>10923</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>138042</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>145776</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>290053</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>290054</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>290055</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>329656</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>329657</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>329658</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2703728</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2703729</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2703730</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3001660</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3001661</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3001662</spectrum_id>
    </spectrum>
  </spectra>
  <normal_concentrations>
  </normal_concentrations>
  <foodb_id>FDB023772</foodb_id>
  <chemspider_id>9045</chemspider_id>
  <drugbank_id>DBSALT001030</drugbank_id>
  <pubchem_compound_id>9416</pubchem_compound_id>
  <chebi_id>9464</chebi_id>
  <kegg_id>C08157</kegg_id>
  <pdbe_id/>
  <phenol_explorer_compound_id/>
  <knapsack_id/>
  <bigg_id/>
  <wikipedia_id>Testosterone enanthate</wikipedia_id>
  <metlin_id/>
  <meta_cyc_id/>
  <synthesis_reference>Ulrich, Miroslav; Novacek, Alois; Stejskal, Frantisek.  Testosterone enanthate.    (1960),     CS  95825  19600615  CAN 55:81895  AN 1961:81895</synthesis_reference>
  <general_references>
  </general_references>
  <protein_associations>
  </protein_associations>
</metabolite>
