<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 08:26:06 UTC</creation_date>
  <update_date>2026-05-21 08:30:12 UTC</update_date>
  <accession/>
  <common_name>[Gly1,D-Asp3]MC-LR</common_name>
  <class>SmallMolecule</class>
  <description>[Gly1,D-Asp3]MC-LR belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. This organic acid and derivative possesses the chemical formula C47H70N10O12.

The compound is found in or released from 13 recorded sources spanning several sectors. Within the energy, oil &amp; gas and industrial manufacturing &amp; chemical processing sectors, it is associated with lubricants. In the healthcare, pharmaceuticals &amp; veterinary products sector, it is linked to medical devices. It is also found in food packaging within the food, food processing &amp; cookware sector. Furthermore, it is present in textiles, leather &amp; furnishings, specifically in synthetic textiles as well as carpets and rugs. In the electrical &amp; electronic equipment sector, the compound is recorded in relation to cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one additional source. There is also one other recorded sector. Recorded exposure routes for [Gly1,D-Asp3]MC-LR include oral, inhalation, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C47H70N10O12</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>966.517468</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles/>
  <inchi>InChI=1S/C47H70N10O12/c1-26(2)21-35-44(64)56-36(46(67)68)24-38(58)52-33(15-12-20-50-47(48)49)43(63)54-32(17-16-27(3)22-28(4)37(69-8)23-31-13-10-9-11-14-31)29(5)41(61)55-34(45(65)66)18-19-40(60)57(7)30(6)42(62)51-25-39(59)53-35/h9-11,13-14,16-17,22,26,28-29,32-37H,6,12,15,18-21,23-25H2,1-5,7-8H3,(H,51,62)(H,52,58)(H,53,59)(H,54,63)(H,55,61)(H,56,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,27-22+/t28-,29-,32-,33-,34+,35-,36+,37-/m0/s1</inchi>
  <inchikey>UHGAEMBYJRDQQV-JQHMHAMLSA-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/>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>966.517468</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C47H70N10O12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C47H70N10O12/c1-26(2)21-35-44(64)56-36(46(67)68)24-38(58)52-33(15-12-20-50-47(48)49)43(63)54-32(17-16-27(3)22-28(4)37(69-8)23-31-13-10-9-11-14-31)29(5)41(61)55-34(45(65)66)18-19-40(60)57(7)30(6)42(62)51-25-39(59)53-35/h9-11,13-14,16-17,22,26,28-29,32-37H,6,12,15,18-21,23-25H2,1-5,7-8H3,(H,51,62)(H,52,58)(H,53,59)(H,54,63)(H,55,61)(H,56,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,27-22+/t28-,29-,32-,33-,34+,35-,36+,37-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UHGAEMBYJRDQQV-JQHMHAMLSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>146683832</pubchem_compound_id>
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</compound>
