<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 08:34:16 UTC</creation_date>
  <update_date>2026-05-21 08:45:11 UTC</update_date>
  <accession/>
  <common_name>[Gly1,D-Asp3,ADMAdda5]MC-RR</common_name>
  <class>SmallMolecule</class>
  <description>[Gly1,D-Asp3,ADMAdda5]MC-RR belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. This organic acid and derivative possesses the chemical formula C48H71N13O13. With an average molecular weight of 1,038 g/mol, [Gly1,D-Asp3,ADMAdda5]MC-RR is a heavy molecule.

The compound is found in or released from 13 recorded sources across multiple sectors. Within Electrical &amp; Electronic Equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also present in the Textiles, leather &amp; furnishings sector, specifically in synthetic textiles as well as carpets and rugs. In the Food, food processing &amp; cookware sector, it is found in food packaging, while the Healthcare, pharmaceuticals &amp; veterinary products sector lists its presence in medical devices. Additionally, the compound is found in lubricants within both the Energy, oil &amp; gas and Industrial manufacturing &amp; chemical processing sectors, as well as one other sector. Recorded exposure routes for this substance include inhalation, oral, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C48H71N13O13</chemical_formula>
  <average_molecular_weight>1038.174</average_molecular_weight>
  <monisotopic_moleculate_weight>1037.52943</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>[H][C@@](CC1=CC=CC=C1)(OC(C)=O)[C@@H](C)C=C(/C)C=C[C@]1([H])NC(=O)[C@]([H])(CCCN=C(N)N)NC(=O)C[C@@]([H])(NC(=O)[C@]([H])(CCCN=C(N)N)NC(=O)CNC(=O)C(=C)N(C)C(=O)CC[C@@]([H])(NC(=O)[C@H]1C)C(O)=O)C(O)=O</smiles>
  <inchi>InChI=1S/C48H71N13O13/c1-26(22-27(2)37(74-30(5)62)23-31-12-8-7-9-13-31)16-17-32-28(3)41(66)59-35(45(70)71)18-19-40(65)61(6)29(4)42(67)55-25-39(64)57-34(15-11-21-54-48(51)52)44(69)60-36(46(72)73)24-38(63)56-33(43(68)58-32)14-10-20-53-47(49)50/h7-9,12-13,16-17,22,27-28,32-37H,4,10-11,14-15,18-21,23-25H2,1-3,5-6H3,(H,55,67)(H,56,63)(H,57,64)(H,58,68)(H,59,66)(H,60,69)(H,70,71)(H,72,73)(H4,49,50,53)(H4,51,52,54)/b17-16+,26-22+/t27-,28-,32-,33-,34-,35+,36+,37-/m0/s1</inchi>
  <inchikey>UBDNPCAZTHQJTO-KTRJARRNSA-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>average_mass</kind>
      <value>1038.174</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>1037.52943</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[H][C@@](CC1=CC=CC=C1)(OC(C)=O)[C@@H](C)C=C(/C)C=C[C@]1([H])NC(=O)[C@]([H])(CCCN=C(N)N)NC(=O)C[C@@]([H])(NC(=O)[C@]([H])(CCCN=C(N)N)NC(=O)CNC(=O)C(=C)N(C)C(=O)CC[C@@]([H])(NC(=O)[C@H]1C)C(O)=O)C(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C48H71N13O13</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C48H71N13O13/c1-26(22-27(2)37(74-30(5)62)23-31-12-8-7-9-13-31)16-17-32-28(3)41(66)59-35(45(70)71)18-19-40(65)61(6)29(4)42(67)55-25-39(64)57-34(15-11-21-54-48(51)52)44(69)60-36(46(72)73)24-38(63)56-33(43(68)58-32)14-10-20-53-47(49)50/h7-9,12-13,16-17,22,27-28,32-37H,4,10-11,14-15,18-21,23-25H2,1-3,5-6H3,(H,55,67)(H,56,63)(H,57,64)(H,58,68)(H,59,66)(H,60,69)(H,70,71)(H,72,73)(H4,49,50,53)(H4,51,52,54)/b17-16+,26-22+/t27-,28-,32-,33-,34-,35+,36+,37-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UBDNPCAZTHQJTO-KTRJARRNSA-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:0x00007f725ce19d00&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>146683838</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
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</compound>
