[DMAdda5]MC‐(H4)YR (CED0046408)

Record Information

Version

1.0

Creation Date

2026-04-06 08:33:45 UTC

Update Date

2026-05-21 08:44:35 UTC

SynCED ID

CED0046408

Secondary Accession Numbers

CHEM120583

Identification

Common Name

[DMAdda5]MC‐(H4)YR

Class

Small Molecule

Description

[DMAdda5]MC‐(H4)YR belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. This compound has the chemical formula C51H74N10O13 and is classified under the superclass of organic acids and derivatives. The compound is found in or released from 13 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. Within the textiles, leather and furnishings sector, it is found in carpets, rugs, and synthetic textiles. It is also present in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is found in lubricants used in both the energy, oil and gas sector as well as the industrial manufacturing and chemical processing sector, along with one further sector. Recorded routes of exposure for [DMAdda5]MC‐(H4)YR include inhalation, oral, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅₁H₇₄N₁₀O₁₃

Average Molecular Mass

Not Available

Monoisotopic Mass

1034.544 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C51H74N10O13/c1-27(24-28(2)40(63)26-33-12-9-8-10-13-33)15-20-36-29(3)43(65)58-38(49(71)72)21-22-41(64)61(7)32(6)46(68)55-31(5)45(67)59-39(25-34-16-18-35(62)19-17-34)48(70)60-42(50(73)74)30(4)44(66)57-37(47(69)56-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-31,34-40,42,62-63H,6,11,14,17,19,21-23,25-26H2,1-5,7H3,(H,55,68)(H,56,69)(H,57,66)(H,58,65)(H,59,67)(H,60,70)(H,71,72)(H,73,74)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,31+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1

InChI Key

LWTYIWMPGBPRGQ-ZVRPPTPOSA-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 0.297 Applicability Domain 0.415 Statistical Significance 0.0173 Supporting Reference Compounds 23 E-value 134.835
Click to view 3D structure	Serine-threonine protein phosphatase 2A regulatory subunit	Q8AWE3	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.415 Statistical Significance 4.00e-05 Supporting Reference Compounds 12 E-value 0.311397
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.415 Statistical Significance 0.0325 Supporting Reference Compounds 197 E-value 252.776
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.25 Low confidence Statistical Significance 0.2146 Supporting Reference Compounds 331 E-value 1670.57
Click to view 3D structure	Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	P67774	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.262 Low confidence Statistical Significance 0.0069 Supporting Reference Compounds 2 E-value 54.0274
Click to view 3D structure	C5a anaphylatoxin chemotactic receptor 1	P30993	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.234 Low confidence Statistical Significance 0.0297 Supporting Reference Compounds 1 E-value 231.368
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.25 Low confidence Statistical Significance 0.1487 Supporting Reference Compounds 195 E-value 1157.38
Click to view 3D structure	Melanocortin receptor 4	P56450	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.236 Low confidence Statistical Significance 0.0442 Supporting Reference Compounds 34 E-value 344.483
Click to view 3D structure	Melanocyte-stimulating hormone receptor	Q01727	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.239 Low confidence Statistical Significance 0.0409 Supporting Reference Compounds 31 E-value 318.793
Click to view 3D structure	Tissue factor pathway inhibitor 2	P48307	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.415 Statistical Significance 3.00e-05 Supporting Reference Compounds 7 E-value 0.233548
Click to view 3D structure	Protein phosphatase 1A	P35813	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.415 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.24 Low confidence Statistical Significance 0.3751 Supporting Reference Compounds 527 E-value 2920.12
Click to view 3D structure	Melanocortin receptor 3	P33033	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.236 Low confidence Statistical Significance 0.0392 Supporting Reference Compounds 23 E-value 305.558
Click to view 3D structure	Neuropeptide FF receptor 2	Q9Y5X5	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.23 Low confidence Statistical Significance 0.0447 Supporting Reference Compounds 25 E-value 347.83
Click to view 3D structure	Melanocortin receptor 5	P41149	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.236 Low confidence Statistical Significance 0.0406 Supporting Reference Compounds 29 E-value 316.146
Click to view 3D structure	Neuropeptide FF receptor 1	Q9GZQ6	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.23 Low confidence Statistical Significance 0.0437 Supporting Reference Compounds 21 E-value 340.045
Click to view 3D structure	Coagulation factor X	P00742	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.244 Low confidence Statistical Significance 0.2611 Supporting Reference Compounds 284 E-value 2032.64
Click to view 3D structure	Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform	Q15172	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.415 Statistical Significance 1.00e-05 Supporting Reference Compounds 3 E-value 0.0778492
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.23 Low confidence Statistical Significance 0.4361 Supporting Reference Compounds 532 E-value 3395.32
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.228 Low confidence Statistical Significance 0.3318 Supporting Reference Compounds 427 E-value 2583.04
Click to view 3D structure	Rhomboid protease GlpG	P09391	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.227 Low confidence Statistical Significance 0.0246 Supporting Reference Compounds 2 E-value 191.276
Click to view 3D structure	Neuromedin-U receptor 2	Q8BZ39	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.224 Low confidence Statistical Significance 0.0336 Supporting Reference Compounds 1 E-value 261.963
Click to view 3D structure	Lymphocyte activation gene 3 protein	P18627	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.223 Low confidence Statistical Significance 0.0081 Supporting Reference Compounds 1 E-value 63.3693
Click to view 3D structure	Melanocortin receptor 4	P32245	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.236 Low confidence Statistical Significance 0.1041 Supporting Reference Compounds 96 E-value 810.41
Click to view 3D structure	Coagulation factor XI	P03951	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.25 Low confidence Statistical Significance 0.1171 Supporting Reference Compounds 105 E-value 911.537