[EpoxyAdda5]MC-LR (CED0055805)

Record Information

Version

1.0

Creation Date

2026-04-06 08:30:39 UTC

Update Date

2026-05-21 08:40:31 UTC

SynCED ID

CED0055805

Secondary Accession Numbers

CHEM120537

Identification

Common Name

[EpoxyAdda5]MC-LR

Class

Small Molecule

Description

[EpoxyAdda5]MC-LR belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. This compound, which has the formula C49H74N10O13, is classified as an organic acid and derivative. It has been identified in or released from 13 recorded sources across several diverse sectors. Within electrical and electronic equipment, it is found in batteries, capacitors, printed circuit boards, cell phones, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is associated with carpets, rugs, and synthetic textiles. Its presence is also recorded in food packaging within the food, food processing and cookware category. Furthermore, it is found in medical devices used in healthcare, pharmaceuticals and veterinary products, as well as lubricants used in both energy, oil and gas and industrial manufacturing and chemical processing. One additional sector is also recorded. Exposure to [EpoxyAdda5]MC-LR occurs through oral, inhalation, and touch routes.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄₉H₇₄N₁₀O₁₃

Average Molecular Mass

Not Available

Monoisotopic Mass

1010.544 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C49H74N10O13/c1-25(2)23-35-45(66)58-38(47(69)70)28(5)41(62)55-33(17-14-22-52-48(50)51)44(65)54-32(20-21-49(8)39(72-49)27(4)36(71-10)24-31-15-12-11-13-16-31)26(3)40(61)56-34(46(67)68)18-19-37(60)59(9)30(7)43(64)53-29(6)42(63)57-35/h11-13,15-16,20-21,25-29,32-36,38-39H,7,14,17-19,22-24H2,1-6,8-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b21-20+/t26-,27+,28-,29+,32-,33-,34+,35-,36-,38+,39?,49?/m0/s1

InChI Key

ULEIGMUDFOUZQL-MGVLZLMXSA-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	Description	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	Melanocyte-stimulating hormone receptor	Q01727	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.241 Low confidence Statistical Significance 0.0406 Supporting Reference Compounds 31 E-value 316.146
Click to view 3D structure	Melanocortin receptor 3	P33033	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.246 Low confidence Statistical Significance 0.0381 Supporting Reference Compounds 23 E-value 296.917
Click to view 3D structure	Plasma kallikrein	P26262	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.247 Low confidence Statistical Significance 0.0118 Supporting Reference Compounds 7 E-value 91.5507
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.242 Low confidence Statistical Significance 0.3778 Supporting Reference Compounds 527 E-value 2941.14
Click to view 3D structure	Neuropeptide FF receptor 2	Q9Y5X5	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.231 Low confidence Statistical Significance 0.0447 Supporting Reference Compounds 25 E-value 348.22
Click to view 3D structure	Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	P67774	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.254 Low confidence Statistical Significance 0.0096 Supporting Reference Compounds 2 E-value 75.1245
Click to view 3D structure	Neuropeptide FF receptor 1	Q9GZQ6	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.231 Low confidence Statistical Significance 0.0442 Supporting Reference Compounds 21 E-value 344.171
Click to view 3D structure	Melanocortin receptor 5	P41149	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.246 Low confidence Statistical Significance 0.0413 Supporting Reference Compounds 29 E-value 321.829
Click to view 3D structure	Neuropeptide Y receptor type 4	P50391	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.428 Statistical Significance 0.0183 Supporting Reference Compounds 23 E-value 142.308
Click to view 3D structure	Serine-threonine protein phosphatase 2A regulatory subunit	Q8AWE3	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.428 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 0.271 Applicability Domain 0.428 Statistical Significance 0.0263 Supporting Reference Compounds 197 E-value 204.821
Click to view 3D structure	Protein phosphatase 1A	P35813	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.428 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	C5a anaphylatoxin chemotactic receptor 1	P30993	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.243 Low confidence Statistical Significance 0.0268 Supporting Reference Compounds 1 E-value 208.947
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.251 Low confidence Statistical Significance 0.1929 Supporting Reference Compounds 331 E-value 1501.79
Click to view 3D structure	Melanocortin receptor 4	P56450	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.246 Low confidence Statistical Significance 0.0405 Supporting Reference Compounds 34 E-value 315.601
Click to view 3D structure	Plasma kallikrein	P03952	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.247 Low confidence Statistical Significance 0.111 Supporting Reference Compounds 158 E-value 864.438
Click to view 3D structure	Thymic stromal lymphopoietin	Q969D9	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.236 Low confidence Statistical Significance 0.0102 Supporting Reference Compounds 1 E-value 79.2505
Click to view 3D structure	Prolactin receptor	P16471	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.236 Low confidence Statistical Significance 0.0093 Supporting Reference Compounds 1 E-value 72.1662
Click to view 3D structure	Tissue factor pathway inhibitor 2	P48307	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.428 Statistical Significance 3.00e-05 Supporting Reference Compounds 7 E-value 0.233548
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.251 Low confidence Statistical Significance 0.141 Supporting Reference Compounds 195 E-value 1097.6
Click to view 3D structure	Neuromedin-U receptor 2	Q8BZ39	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.233 Low confidence Statistical Significance 0.0306 Supporting Reference Compounds 1 E-value 238.53
Click to view 3D structure	Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform	Q15172	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.428 Statistical Significance 1.00e-05 Supporting Reference Compounds 3 E-value 0.0778492
Click to view 3D structure	Coagulation factor X	P00742	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.246 Low confidence Statistical Significance 0.2153 Supporting Reference Compounds 284 E-value 1675.78
Click to view 3D structure	Inducible T-cell costimulator	Q9Y6W8	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.232 Low confidence Statistical Significance 0.0096 Supporting Reference Compounds 1 E-value 75.0467
Click to view 3D structure	Coagulation factor XI	P03951	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.251 Low confidence Statistical Significance 0.083 Supporting Reference Compounds 105 E-value 646.304