[D‐Leu1,Adda(OH)5]MC‐LR (CED0060221)

Record Information
Version1.0
Creation Date2026-04-06 08:36:56 UTC
Update Date2026-05-21 08:47:57 UTC
Accession NumberCHEM120629
Identification
Common Name[D‐Leu1,Adda(OH)5]MC‐LR
ClassSmall Molecule
Description
[D‐Leu1,Adda(OH)5]MC‐LR is a chemical compound with the formula C52H80N10O13. It has been identified in or released from 13 recorded sources across several sectors. In the energy, oil & gas and industrial manufacturing & chemical processing sectors, it is found in lubricants. Within healthcare, pharmaceuticals & veterinary products, it is associated with medical devices, while it is found in food packaging within the food, food processing & cookware sector. In the textiles, leather & furnishings sector, the compound is present in carpets, rugs, and synthetic textiles. Additionally, it is found in electrical & electronic equipment, including batteries, capacitors, printed circuit boards, wires and cables, cell phones, and one other source. It is also present in one additional sector. Recorded routes of exposure for this compound include oral, inhalation, and touch.
Contaminant Type
  • PFAS
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC52H80N10O13
Average Molecular MassNot Available
Monoisotopic Mass1052.591 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C52H80N10O13/c1-28(2)23-39-48(69)60-40(24-29(3)4)49(70)61-43(51(73)74)32(7)45(66)57-37(17-14-22-55-52(53)54)47(68)56-36(19-18-35(27-63)25-30(5)41(75-10)26-34-15-12-11-13-16-34)31(6)44(65)58-38(50(71)72)20-21-42(64)62(9)33(8)46(67)59-39/h11-13,15-16,18-19,25,28-32,36-41,43,63H,8,14,17,20-24,26-27H2,1-7,9-10H3,(H,56,68)(H,57,66)(H,58,65)(H,59,67)(H,60,69)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b19-18+,35-25-/t30-,31-,32-,36-,37-,38+,39+,40-,41-,43+/m0/s1
InChI KeyKUJGVALYAACNLY-DWMFVRHXSA-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 structureMelanocyte-stimulating hormone receptorQ01727Mus musculusPredicted (SEA)284.228
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 structureMelanocortin receptor 3P33033Mus musculusPredicted (SEA)270.76
Mucin-1 structureClick to view 3D structureMucin-1P15941HumansPredicted (SEA)177.73
Neuropeptide Y receptor type 4 structureClick to view 3D structureNeuropeptide Y receptor type 4P50391HumansPredicted (SEA)111.714
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)103.695
Click to view 3D structureSerine/threonine-protein phosphatase 2A catalytic subunit alpha isoformP67774Bos taurusPredicted (SEA)7.70707
Protein phosphatase 1A structureClick to view 3D structureProtein phosphatase 1AP35813HumansPredicted (SEA)0.0778492
Prolactin receptor structureClick to view 3D structureProlactin receptorP16471HumansPredicted (SEA)48.2665
Inducible T-cell costimulator structureClick to view 3D structureInducible T-cell costimulatorQ9Y6W8HumansPredicted (SEA)61.2673
Click to view 3D structureC5a anaphylatoxin chemotactic receptor 1P30993Mus musculusPredicted (SEA)192.677
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)1037.11
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)690.678
Tissue factor pathway inhibitor 2 structureClick to view 3D structureTissue factor pathway inhibitor 2P48307HumansPredicted (SEA)0.155698
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)1688.0
Click to view 3D structureNeuromedin-U receptor 2Q8BZ39Mus musculusPredicted (SEA)201.007
Click to view 3D structureNeuropeptide FF receptor 2Q9Y5X5HumansPredicted (SEA)274.419
Plasma kallikrein structureClick to view 3D structurePlasma kallikreinP03952HumansPredicted (SEA)624.351
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)1925.76
Click to view 3D structureMelanocortin receptor 4P56450Mus musculusPredicted (SEA)288.509
Click to view 3D structureNeuropeptide FF receptor 1Q9GZQ6HumansPredicted (SEA)274.107
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)1175.21
Thymic stromal lymphopoietin structureClick to view 3D structureThymic stromal lymphopoietinQ969D9HumansPredicted (SEA)73.1783
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)1555.66
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available