[Gly1,D-Asp3]MC-LR (CED0065901)

Record Information
Version1.0
Creation Date2026-04-06 08:26:06 UTC
Update Date2026-05-21 08:30:12 UTC
Accession NumberCHEM120472
Identification
Common Name[Gly1,D-Asp3]MC-LR
ClassSmall Molecule
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 & gas and industrial manufacturing & chemical processing sectors, it is associated with lubricants. In the healthcare, pharmaceuticals & veterinary products sector, it is linked to medical devices. It is also found in food packaging within the food, food processing & cookware sector. Furthermore, it is present in textiles, leather & furnishings, specifically in synthetic textiles as well as carpets and rugs. In the electrical & 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.
Contaminant Type
  • PFAS
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC47H70N10O12
Average Molecular MassNot Available
Monoisotopic Mass966.517 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=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 KeyUHGAEMBYJRDQQV-JQHMHAMLSA-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
Neuropeptide Y receptor type 4 structureClick to view 3D structureNeuropeptide Y receptor type 4P50391HumansPredicted (SEA)89.838
Click to view 3D structureSerine-threonine protein phosphatase 2A regulatory subunitQ8AWE3Gallus gallusPredicted (SEA)0.233548
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)52.3925
Click to view 3D structureSerine/threonine-protein phosphatase 2A catalytic subunit alpha isoformP67774Bos taurusPredicted (SEA)1.08989
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
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
Click to view 3D structureC5a anaphylatoxin chemotactic receptor 1P30993Mus musculusPredicted (SEA)168.699
Click to view 3D structureNeuropeptide FF receptor 2Q9Y5X5HumansPredicted (SEA)243.045
Inducible T-cell costimulator structureClick to view 3D structureInducible T-cell costimulatorQ9Y6W8HumansPredicted (SEA)58.4648
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)1277.9
Click to view 3D structureNeuropeptide FF receptor 1Q9GZQ6HumansPredicted (SEA)240.087
Click to view 3D structurePhospholipid-transporting ATPase ABCA1P41233Mus musculusPredicted (SEA)149.315
Plasma kallikrein structureClick to view 3D structurePlasma kallikreinP03952HumansPredicted (SEA)494.654
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)1444.57
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)1097.52
Thymic stromal lymphopoietin structureClick to view 3D structureThymic stromal lymphopoietinQ969D9HumansPredicted (SEA)63.3693
Click to view 3D structureNeuromedin-U receptor 2Q8BZ39Mus musculusPredicted (SEA)193.845
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)656.269
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)892.853
Click to view 3D structureMelanocortin receptor 4P56450Mus musculusPredicted (SEA)273.173
Prolactin receptor structureClick to view 3D structureProlactin receptorP16471HumansPredicted (SEA)59.4768
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)1084.52
Click to view 3D structureMelanocyte-stimulating hormone receptorQ01727Mus musculusPredicted (SEA)265.855
Click to view 3D structurePlasma kallikreinP26262Mus musculusPredicted (SEA)72.3998
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available