[DMAdda5]MC-RR (CED0046065)

Record Information

Version

1.0

Creation Date

2026-04-06 08:32:10 UTC

Update Date

2026-05-21 08:42:27 UTC

Accession Number

CHEM120560

Identification

Common Name

[DMAdda5]MC-RR

Class

Small Molecule

Description

[DMAdda5]MC-RR belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. This compound has the chemical formula C48H73N13O12. It has been identified in or released from 13 recorded sources across several sectors. Within the electrical and electronic equipment sector, it is found in capacitors, cell phones, batteries, printed circuit boards, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is associated with 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 energy, oil and gas, as well as industrial manufacturing and chemical processing, and is present in one further sector. Recorded exposure routes for [DMAdda5]MC-RR include oral, inhalation, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄₈H₇₃N₁₃O₁₂

Average Molecular Mass

Not Available

Monoisotopic Mass

1023.550 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C48H73N13O12/c1-25(23-26(2)36(62)24-31-13-9-8-10-14-31)17-18-32-27(3)39(64)59-35(45(70)71)19-20-37(63)61(7)30(6)42(67)55-29(5)41(66)58-34(16-12-22-54-48(51)52)44(69)60-38(46(72)73)28(4)40(65)57-33(43(68)56-32)15-11-21-53-47(49)50/h8-10,13-14,17-18,23,26-29,32-36,38,62H,6,11-12,15-16,19-22,24H2,1-5,7H3,(H,55,67)(H,56,68)(H,57,65)(H,58,66)(H,59,64)(H,60,69)(H,70,71)(H,72,73)(H4,49,50,53)(H4,51,52,54)/b18-17+,25-23+/t26-,27-,28-,29+,32-,33-,34-,35+,36-,38+/m0/s1

InChI Key

QNXSMJGNFUUQFQ-BLNINCLDSA-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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
7	Pesticides	Agriculture & land management	Not Available
120	Wires and cables	Electrical & Electronic Equipment	Not Available
121	Printed circuit boards	Electrical & Electronic Equipment	Not Available
125	Batteries	Electrical & Electronic Equipment	Not Available
130	Semiconductors	Electrical & Electronic Equipment	Not Available
138	Lubricants	Energy, oil & gas	Not Available
147	Food packaging	Food, food processing & cookware	Not Available
174	Lubricants	Industrial manufacturing & chemical processing	Not Available
234	Medical devices	Healthcare, pharmaceuticals & veterinary products	Not Available
451	Carpets and Rugs	Textiles, leather & furnishings	Not Available
454	Synthetic textiles	Textiles, leather & furnishings	Not Available
490		Personal care & cosmetics	Not Available
492	Cell phones	Electrical & Electronic Equipment	Not Available
493	Capacitors	Electrical & Electronic Equipment	Not Available

Pathways

0 pathways

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)	109.612
Click to view 3D structure	Serine-threonine protein phosphatase 2A regulatory subunit	Q8AWE3	Gallus gallus	Predicted (SEA)	0.311397
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	126.194
Click to view 3D structure	C5a anaphylatoxin chemotactic receptor 1	P30993	Mus musculus	Predicted (SEA)	186.293
Click to view 3D structure	Melanocyte-stimulating hormone receptor	Q01727	Mus musculus	Predicted (SEA)	257.759
Click to view 3D structure	Melanocortin receptor 4	P56450	Mus musculus	Predicted (SEA)	268.035
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	1000.28
Click to view 3D structure	Melanocortin receptor 3	P33033	Mus musculus	Predicted (SEA)	242.812
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	1645.73
Click to view 3D structure	Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	P67774	Bos taurus	Predicted (SEA)	29.1156
Click to view 3D structure	Coagulation factor X	P00742	Humans	Predicted (SEA)	973.349
Click to view 3D structure	Melanocortin receptor 5	P41149	Mus musculus	Predicted (SEA)	260.717
Click to view 3D structure	Neuropeptide FF receptor 2	Q9Y5X5	Humans	Predicted (SEA)	276.443
Click to view 3D structure	Neuropeptide FF receptor 1	Q9GZQ6	Humans	Predicted (SEA)	270.293
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	763.545
Click to view 3D structure	Tissue factor pathway inhibitor 2	P48307	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	1909.72
Click to view 3D structure	Rhomboid protease GlpG	P09391	Escherichia coli (strain K12)	Predicted (SEA)	141.452
Click to view 3D structure	Protein phosphatase 1A	P35813	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	1473.14
Click to view 3D structure	Neuromedin-U receptor 2	Q8BZ39	Mus musculus	Predicted (SEA)	212.061
Click to view 3D structure	Melanocortin receptor 4	P32245	Humans	Predicted (SEA)	435.411
Click to view 3D structure	Prolactin receptor	P16471	Humans	Predicted (SEA)	68.7409
Click to view 3D structure	Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform	Q15172	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Mu-type opioid receptor	P97266	Cavia porcellus	Predicted (SEA)	719.015