[Gly1,D-Asp3]MC-RR (CED0069325)

Record Information

Version

1.0

Creation Date

2026-04-06 08:30:15 UTC

Update Date

2026-05-21 08:39:58 UTC

SynCED ID

CED0069325

Secondary Accession Numbers

CHEM120531

Identification

Common Name

[Gly1,D-Asp3]MC-RR

Class

Small Molecule

Description

[Gly1,D-Asp3]MC-RR belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. This compound has the chemical formula C47H71N13O12 and is classified as an organic acid and derivative. The compound 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 present in carpets, rugs, and synthetic textiles. It is also associated with food packaging in the food, food processing, and cookware sector, and medical devices within the healthcare, pharmaceuticals, and veterinary products sector. Additionally, it 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 other sector. Recorded routes of exposure for [Gly1,D-Asp3]MC-RR include oral ingestion, inhalation, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄₇H₇₁N₁₃O₁₂

Average Molecular Mass

Not Available

Monoisotopic Mass

1009.535 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C47H71N13O12/c1-26(22-27(2)36(72-6)23-30-12-8-7-9-13-30)16-17-31-28(3)40(64)58-34(44(68)69)18-19-39(63)60(5)29(4)41(65)54-25-38(62)56-33(15-11-21-53-47(50)51)43(67)59-35(45(70)71)24-37(61)55-32(42(66)57-31)14-10-20-52-46(48)49/h7-9,12-13,16-17,22,27-28,31-36H,4,10-11,14-15,18-21,23-25H2,1-3,5-6H3,(H,54,65)(H,55,61)(H,56,62)(H,57,66)(H,58,64)(H,59,67)(H,68,69)(H,70,71)(H4,48,49,52)(H4,50,51,53)/b17-16+,26-22+/t27-,28-,31-,32-,33-,34+,35+,36-/m0/s1

InChI Key

XZTWPWTUTORJDG-XDZREONBSA-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 0.349 Applicability Domain 0.508 Statistical Significance 0.0113 Supporting Reference Compounds 23 E-value 88.0475
Click to view 3D structure	Serine-threonine protein phosphatase 2A regulatory subunit	Q8AWE3	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.341 Applicability Domain 0.508 Statistical Significance 3.00e-05 Supporting Reference Compounds 12 E-value 0.233548
Click to view 3D structure	Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	P67774	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.327 Applicability Domain 0.348 Statistical Significance 6.00e-05 Supporting Reference Compounds 2 E-value 0.467095
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.318 Applicability Domain 0.508 Statistical Significance 0.0065 Supporting Reference Compounds 197 E-value 50.8355
Click to view 3D structure	Protein phosphatase 1A	P35813	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.508 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Tissue factor pathway inhibitor 2	P48307	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.508 Statistical Significance 2.00e-05 Supporting Reference Compounds 7 E-value 0.155698
Click to view 3D structure	C5a anaphylatoxin chemotactic receptor 1	P30993	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.266 Low confidence Statistical Significance 0.0216 Supporting Reference Compounds 1 E-value 168.076
Click to view 3D structure	Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform	Q15172	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.508 Statistical Significance 1.00e-05 Supporting Reference Compounds 3 E-value 0.0778492
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.269 Low confidence Statistical Significance 0.1639 Supporting Reference Compounds 527 E-value 1275.95
Click to view 3D structure	Neuropeptide FF receptor 2	Q9Y5X5	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.263 Low confidence Statistical Significance 0.0319 Supporting Reference Compounds 25 E-value 248.261
Click to view 3D structure	Neuropeptide FF receptor 1	Q9GZQ6	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.263 Low confidence Statistical Significance 0.0308 Supporting Reference Compounds 21 E-value 239.464
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.263 Low confidence Statistical Significance 0.1845 Supporting Reference Compounds 532 E-value 1436.32
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.261 Low confidence Statistical Significance 0.1403 Supporting Reference Compounds 427 E-value 1092.46
Click to view 3D structure	Coagulation factor X	P00742	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.273 Low confidence Statistical Significance 0.107 Supporting Reference Compounds 284 E-value 832.909
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.257 Low confidence Statistical Significance 0.1226 Supporting Reference Compounds 331 E-value 954.198
Click to view 3D structure	Melanocyte-stimulating hormone receptor	Q01727	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.266 Low confidence Statistical Significance 0.0328 Supporting Reference Compounds 31 E-value 255.579
Click to view 3D structure	Melanocortin receptor 4	P56450	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.261 Low confidence Statistical Significance 0.0343 Supporting Reference Compounds 34 E-value 267.023
Click to view 3D structure	Melanocortin receptor 3	P33033	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.261 Low confidence Statistical Significance 0.0313 Supporting Reference Compounds 23 E-value 243.59
Click to view 3D structure	Phospholipid-transporting ATPase ABCA1	P41233	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.0208 Supporting Reference Compounds 1 E-value 161.926
Click to view 3D structure	Melanocortin receptor 5	P41149	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.261 Low confidence Statistical Significance 0.0332 Supporting Reference Compounds 29 E-value 258.849
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.256 Low confidence Statistical Significance 0.0938 Supporting Reference Compounds 195 E-value 730.304
Click to view 3D structure	Neuromedin-U receptor 2	Q8BZ39	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.245 Low confidence Statistical Significance 0.0268 Supporting Reference Compounds 1 E-value 208.947
Click to view 3D structure	Inducible T-cell costimulator	Q9Y6W8	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.244 Low confidence Statistical Significance 0.0086 Supporting Reference Compounds 1 E-value 66.8725
Click to view 3D structure	Melanocortin receptor 4	P32245	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.261 Low confidence Statistical Significance 0.0544 Supporting Reference Compounds 96 E-value 423.655
Click to view 3D structure	Rhomboid protease GlpG	P09391	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.245 Low confidence Statistical Significance 0.0189 Supporting Reference Compounds 2 E-value 146.901