[DMAdda5]MC‐Y(OMe)R (CED0061196)

Record Information

Version

1.0

Creation Date

2026-04-06 08:38:03 UTC

Update Date

2026-05-21 08:49:12 UTC

SynCED ID

CED0061196

Secondary Accession Numbers

CHEM120646

Identification

Common Name

[DMAdda5]MC‐Y(OMe)R

Class

Small Molecule

Description

[DMAdda5]MC‐Y(OMe)R belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. This compound has the chemical formula C52H72N10O14 and is classified as part of the organic acids and derivatives superclass. The substance has been identified in or released from 13 recorded sources across several sectors. Within the electrical and electronic equipment sector, it is found in cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. In the textiles, leather and furnishings sector, it is associated with synthetic textiles as well as carpets and rugs. It is also recorded in food packaging within the food, food processing and cookware sector. Additionally, the compound is present in medical devices from the healthcare, pharmaceuticals and veterinary products sector. In both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, it is found in lubricants. One other sector has also been recorded as a source. Recorded routes of exposure for [DMAdda5]MC‐Y(OMe)R include inhalation, oral, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅₂H₇₂N₁₀O₁₄

Average Molecular Mass

Not Available

Monoisotopic Mass

1060.523 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C52H72N10O14/c1-27(23-28(2)40(64)25-33-13-10-9-11-14-33)16-18-35-29(3)44(66)59-37(50(72)73)19-21-42(65)62(7)32(6)47(69)56-31(5)46(68)60-38(24-34-17-20-39(63)41(26-34)76-8)49(71)61-43(51(74)75)30(4)45(67)58-36(48(70)57-35)15-12-22-55-52(53)54/h9-11,13-14,16-18,20,23,26,28-31,35-38,40,43,63-64H,6,12,15,19,21-22,24-25H2,1-5,7-8H3,(H,56,69)(H,57,70)(H,58,67)(H,59,66)(H,60,68)(H,61,71)(H,72,73)(H,74,75)(H4,53,54,55)/b18-16+,27-23+/t28-,29-,30-,31+,35-,36-,37+,38-,40-,43+/m0/s1

InChI Key

PIKGDNSGBMJTRE-GQSKQMPZSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.	Electrical & Electronic Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.	Electrical & Electronic Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.	Textiles, leather & furnishings	Not Available
CEDs000454	Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.	Textiles, leather & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Neuropeptide Y receptor type 4	P50391	Humans	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.419 Statistical Significance 0.0165 Supporting Reference Compounds 23 E-value 128.14
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.419 Statistical Significance 0.0151 Supporting Reference Compounds 197 E-value 117.63
Click to view 3D structure	Serine-threonine protein phosphatase 2A regulatory subunit	Q8AWE3	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.419 Statistical Significance 4.00e-05 Supporting Reference Compounds 12 E-value 0.311397
Click to view 3D structure	Protein phosphatase 1A	P35813	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.419 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Melanocortin receptor 4	P56450	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.257 Low confidence Statistical Significance 0.0373 Supporting Reference Compounds 34 E-value 290.066
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.254 Low confidence Statistical Significance 0.1675 Supporting Reference Compounds 331 E-value 1304.21
Click to view 3D structure	Melanocortin receptor 3	P33033	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.243 Low confidence Statistical Significance 0.0347 Supporting Reference Compounds 23 E-value 270.448
Click to view 3D structure	Melanocyte-stimulating hormone receptor	Q01727	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.244 Low confidence Statistical Significance 0.0369 Supporting Reference Compounds 31 E-value 287.341
Click to view 3D structure	Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	P67774	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.267 Low confidence Statistical Significance 0.0055 Supporting Reference Compounds 2 E-value 42.5835
Click to view 3D structure	Melanocortin receptor 4	P32245	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.243 Low confidence Statistical Significance 0.0596 Supporting Reference Compounds 96 E-value 463.826
Click to view 3D structure	Melanocortin receptor 5	P41149	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.243 Low confidence Statistical Significance 0.036 Supporting Reference Compounds 29 E-value 280.179
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.254 Low confidence Statistical Significance 0.121 Supporting Reference Compounds 195 E-value 941.664
Click to view 3D structure	Melanocyte-stimulating hormone receptor	Q01726	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.243 Low confidence Statistical Significance 0.0394 Supporting Reference Compounds 38 E-value 306.415
Click to view 3D structure	Epidermal growth factor receptor substrate 15	P42566	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.237 Low confidence Statistical Significance 0.0098 Supporting Reference Compounds 1 E-value 76.5258
Click to view 3D structure	Melanocortin receptor 5	P33032	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.243 Low confidence Statistical Significance 0.0429 Supporting Reference Compounds 48 E-value 333.895
Click to view 3D structure	Melanocortin receptor 3	P41968	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.243 Low confidence Statistical Significance 0.0438 Supporting Reference Compounds 45 E-value 340.668
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.241 Low confidence Statistical Significance 0.2994 Supporting Reference Compounds 527 E-value 2331.04
Click to view 3D structure	Neuropeptide FF receptor 2	Q9Y5X5	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.241 Low confidence Statistical Significance 0.0395 Supporting Reference Compounds 25 E-value 307.193
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit beta-1	P18505	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.236 Low confidence Statistical Significance 0.0099 Supporting Reference Compounds 1 E-value 77.1486
Click to view 3D structure	Neuropeptide FF receptor 1	Q9GZQ6	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.241 Low confidence Statistical Significance 0.0386 Supporting Reference Compounds 21 E-value 300.187
Click to view 3D structure	Cathepsin Z	Q9R1T3	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.272 Low confidence Statistical Significance 0.0226 Supporting Reference Compounds 2 E-value 175.628
Click to view 3D structure	Neuromedin-U receptor 2	Q8BZ39	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.236 Low confidence Statistical Significance 0.0295 Supporting Reference Compounds 1 E-value 230.044
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.241 Low confidence Statistical Significance 0.2457 Supporting Reference Compounds 427 E-value 1912.91
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.241 Low confidence Statistical Significance 0.3337 Supporting Reference Compounds 532 E-value 2597.67
Click to view 3D structure	Lymphocyte activation gene 3 protein	P18627	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.235 Low confidence Statistical Significance 0.0073 Supporting Reference Compounds 1 E-value 56.8299