[Gly1,D-Asp3,ADMAdda5]MC-RR (CED0058046)

Record Information
Version1.0
Creation Date2026-04-06 08:34:16 UTC
Update Date2026-05-21 08:45:11 UTC
Accession NumberCHEM120591
Identification
Common Name[Gly1,D-Asp3,ADMAdda5]MC-RR
ClassSmall Molecule
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 & 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 & furnishings sector, specifically in synthetic textiles as well as carpets and rugs. In the Food, food processing & cookware sector, it is found in food packaging, while the Healthcare, pharmaceuticals & veterinary products sector lists its presence in medical devices. Additionally, the compound is found in lubricants within both the Energy, oil & gas and Industrial manufacturing & chemical processing sectors, as well as one other sector. Recorded exposure routes for this substance include inhalation, oral, and touch.
Contaminant Type
  • PFAS
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC48H71N13O13
Average Molecular Mass1038.174 g/mol
Monoisotopic Mass1037.529 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
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
InChI IdentifierInChI=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 KeyUBDNPCAZTHQJTO-KTRJARRNSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSerine-threonine protein phosphatase 2A regulatory subunitQ8AWE3Gallus gallusPredicted (SEA)0.0778492
Neuropeptide Y receptor type 4 structureClick to view 3D structureNeuropeptide Y receptor type 4P50391HumansPredicted (SEA)94.1197
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)40.0924
Protein phosphatase 1A structureClick to view 3D structureProtein phosphatase 1AP35813HumansPredicted (SEA)0.0778492
Tissue factor pathway inhibitor 2 structureClick to view 3D structureTissue factor pathway inhibitor 2P48307HumansPredicted (SEA)0.155698
Melanocyte-stimulating hormone receptor structureClick to view 3D structureMelanocyte-stimulating hormone receptorQ01726HumansPredicted (SEA)209.337
Click to view 3D structureSerine/threonine-protein phosphatase 2A catalytic subunit alpha isoformP67774Bos taurusPredicted (SEA)6.30579
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)678.612
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)375.934
Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform structureClick to view 3D structureSerine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoformQ15172HumansPredicted (SEA)0.0778492
Melanocortin receptor 4 structureClick to view 3D structureMelanocortin receptor 4P32245HumansPredicted (SEA)260.25
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)405.75
Click to view 3D structureMelanocyte-stimulating hormone receptorQ01727Mus musculusPredicted (SEA)228.877
Vasopressin V1a receptor structureClick to view 3D structureVasopressin V1a receptorP37288HumansPredicted (SEA)179.676
Click to view 3D structureMelanocortin receptor 5P41149Mus musculusPredicted (SEA)235.65
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)487.803
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)550.705
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)1273.22
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)829.483
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)1339.47
Click to view 3D structureVasopressin V2 receptorP48044Bos taurusPredicted (SEA)71.6213
Thymic stromal lymphopoietin structureClick to view 3D structureThymic stromal lymphopoietinQ969D9HumansPredicted (SEA)61.968
Melanocortin receptor 3 structureClick to view 3D structureMelanocortin receptor 3P41968HumansPredicted (SEA)265.466
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)614.931
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)534.357
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available