[Gly1,D-Asp3,ADMAdda5]MC-LR (CED0067369)

Record Information

Version

1.0

Creation Date

2026-04-06 08:28:02 UTC

Update Date

2026-05-21 08:36:52 UTC

SynCED ID

CED0067369

Secondary Accession Numbers

CHEM120497

Identification

Common Name

[Gly1,D-Asp3,ADMAdda5]MC-LR

Class

Small Molecule

Description

[Gly1,D-Asp3,ADMAdda5]MC-LR belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. This compound is characterized by the chemical formula C48H70N10O13 and is classified as an organic acid and derivative. The substance has been identified in or released from 13 recorded sources across several diverse sectors. In the realm of electrical and electronic equipment, it is found in cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. It is present in textiles, leather and furnishings, specifically within carpets, rugs, and synthetic textiles. Within the food, food processing and cookware sector, it is associated with food packaging. Other recorded sources include medical devices in the healthcare, pharmaceuticals and veterinary products sector, and lubricants used in both industrial manufacturing and chemical processing as well as in energy, oil and gas. One additional sector has also been recorded. Human exposure to [Gly1,D-Asp3,ADMAdda5]MC-LR occurs through three recorded routes: inhalation, oral, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄₈H₇₀N₁₀O₁₃

Average Molecular Mass

Not Available

Monoisotopic Mass

994.512 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C48H70N10O13/c1-26(2)21-36-45(66)57-37(47(69)70)24-39(60)53-34(15-12-20-51-48(49)50)44(65)55-33(17-16-27(3)22-28(4)38(71-31(7)59)23-32-13-10-9-11-14-32)29(5)42(63)56-35(46(67)68)18-19-41(62)58(8)30(6)43(64)52-25-40(61)54-36/h9-11,13-14,16-17,22,26,28-29,33-38H,6,12,15,18-21,23-25H2,1-5,7-8H3,(H,52,64)(H,53,60)(H,54,61)(H,55,65)(H,56,63)(H,57,66)(H,67,68)(H,69,70)(H4,49,50,51)/b17-16+,27-22+/t28-,29-,33-,34-,35+,36-,37+,38-/m0/s1

InChI Key

BUNWICSOQSWSFW-HPRKGSLFSA-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	Neuropeptide Y receptor type 4	P50391	Humans	Predicted (SEA)	Prediction Confidence Score 0.329 Applicability Domain 0.478 Statistical Significance 0.0133 Supporting Reference Compounds 23 E-value 103.851
Click to view 3D structure	Serine-threonine protein phosphatase 2A regulatory subunit	Q8AWE3	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.313 Applicability Domain 0.478 Statistical Significance 3.00e-05 Supporting Reference Compounds 12 E-value 0.233548
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.478 Statistical Significance 0.011 Supporting Reference Compounds 197 E-value 85.8677
Click to view 3D structure	Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	P67774	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.29 Low confidence Statistical Significance 0.0012 Supporting Reference Compounds 2 E-value 9.57545
Click to view 3D structure	C5a anaphylatoxin chemotactic receptor 1	P30993	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.265 Low confidence Statistical Significance 0.0217 Supporting Reference Compounds 1 E-value 168.699
Click to view 3D structure	Protein phosphatase 1A	P35813	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.478 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Neuropeptide FF receptor 2	Q9Y5X5	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.262 Low confidence Statistical Significance 0.0312 Supporting Reference Compounds 25 E-value 243.045
Click to view 3D structure	Inducible T-cell costimulator	Q9Y6W8	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.259 Low confidence Statistical Significance 0.0075 Supporting Reference Compounds 1 E-value 58.4648
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.26 Low confidence Statistical Significance 0.1641 Supporting Reference Compounds 527 E-value 1277.9
Click to view 3D structure	Neuropeptide FF receptor 1	Q9GZQ6	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.262 Low confidence Statistical Significance 0.0308 Supporting Reference Compounds 21 E-value 240.087
Click to view 3D structure	Phospholipid-transporting ATPase ABCA1	P41233	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.258 Low confidence Statistical Significance 0.0192 Supporting Reference Compounds 1 E-value 149.315
Click to view 3D structure	Plasma kallikrein	P03952	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.268 Low confidence Statistical Significance 0.0635 Supporting Reference Compounds 158 E-value 494.654
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.262 Low confidence Statistical Significance 0.1856 Supporting Reference Compounds 532 E-value 1444.57
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.26 Low confidence Statistical Significance 0.141 Supporting Reference Compounds 427 E-value 1097.52
Click to view 3D structure	Thymic stromal lymphopoietin	Q969D9	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.254 Low confidence Statistical Significance 0.0081 Supporting Reference Compounds 1 E-value 63.3693
Click to view 3D structure	Neuromedin-U receptor 2	Q8BZ39	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.253 Low confidence Statistical Significance 0.0249 Supporting Reference Compounds 1 E-value 193.845
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.261 Low confidence Statistical Significance 0.0843 Supporting Reference Compounds 195 E-value 656.269
Click to view 3D structure	Coagulation factor X	P00742	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.272 Low confidence Statistical Significance 0.1147 Supporting Reference Compounds 284 E-value 892.853
Click to view 3D structure	Melanocortin receptor 4	P56450	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.261 Low confidence Statistical Significance 0.0351 Supporting Reference Compounds 34 E-value 273.173
Click to view 3D structure	Tissue factor pathway inhibitor 2	P48307	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.478 Statistical Significance 2.00e-05 Supporting Reference Compounds 7 E-value 0.155698
Click to view 3D structure	Prolactin receptor	P16471	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.0076 Supporting Reference Compounds 1 E-value 59.4768
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.256 Low confidence Statistical Significance 0.1393 Supporting Reference Compounds 331 E-value 1084.52
Click to view 3D structure	Melanocyte-stimulating hormone receptor	Q01727	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.256 Low confidence Statistical Significance 0.0341 Supporting Reference Compounds 31 E-value 265.855
Click to view 3D structure	Plasma kallikrein	P26262	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.268 Low confidence Statistical Significance 0.0094 Supporting Reference Compounds 7 E-value 73.1783
Click to view 3D structure	Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform	Q15172	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.478 Statistical Significance 1.00e-05 Supporting Reference Compounds 3 E-value 0.0778492