[D‐Asp³,(E)-Dhb7]MC‐HilR (CED0054792)

Record Information

Version

1.0

Creation Date

2026-04-06 08:28:16 UTC

Update Date

2026-05-21 08:37:07 UTC

SynCED ID

CED0054792

Secondary Accession Numbers

CHEM120500

Identification

Common Name

[D‐Asp³,(E)-Dhb7]MC‐HilR

Class

Small Molecule

Description

[D‐Asp³,(E)-Dhb7]MC‐HilR belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. This compound is characterized by the chemical formula C49H74N10O12 and is classified as an organic acid and derivative. The compound is found in or released from 13 recorded sources across several sectors. Within Electrical & Electronic Equipment, it is associated with capacitors, cell phones, batteries, wires and cables, and printed circuit boards, among one other source. It is also found in textiles, leather & furnishings, specifically within carpets, rugs, and synthetic textiles. In the healthcare, pharmaceuticals & veterinary products sector, it is linked to medical devices, while in the food, food processing & cookware sector, it is found in food packaging. Additionally, it is identified in lubricants used within industrial manufacturing & chemical processing as well as the energy, oil & gas sectors. One additional sector is also recorded as a source. Recorded exposure routes for this substance include oral, inhalation, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄₉H₇₄N₁₀O₁₂

Average Molecular Mass

Not Available

Monoisotopic Mass

994.549 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C49H74N10O12/c1-9-27(3)24-37-46(66)59-38(48(69)70)26-41(61)55-35(17-14-22-52-49(50)51)45(65)56-34(19-18-28(4)23-29(5)39(71-8)25-32-15-12-11-13-16-32)30(6)42(62)57-36(47(67)68)20-21-40(60)54-33(10-2)44(64)53-31(7)43(63)58-37/h10-13,15-16,18-19,23,27,29-31,34-39H,9,14,17,20-22,24-26H2,1-8H3,(H,53,64)(H,54,60)(H,55,61)(H,56,65)(H,57,62)(H,58,63)(H,59,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,28-23+,33-10+/t27-,29-,30-,31+,34-,35-,36+,37-,38+,39-/m0/s1

InChI Key

CJBURLKHSGYKKJ-LOEFFASASA-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	Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	P67774	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.319 Applicability Domain 0.328 Statistical Significance 1.20e-04 Supporting Reference Compounds 2 E-value 0.934191
Click to view 3D structure	Neuropeptide Y receptor type 4	P50391	Humans	Predicted (SEA)	Prediction Confidence Score 0.31 Applicability Domain 0.437 Statistical Significance 0.0156 Supporting Reference Compounds 23 E-value 121.289
Click to view 3D structure	Serine-threonine protein phosphatase 2A regulatory subunit	Q8AWE3	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.437 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 0.285 Applicability Domain 0.437 Statistical Significance 0.0168 Supporting Reference Compounds 197 E-value 131.176
Click to view 3D structure	C5a anaphylatoxin chemotactic receptor 1	P30993	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.269 Low confidence Statistical Significance 0.0209 Supporting Reference Compounds 1 E-value 163.016
Click to view 3D structure	Neuromedin-U receptor 2	Q8BZ39	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.257 Low confidence Statistical Significance 0.024 Supporting Reference Compounds 1 E-value 187.15
Click to view 3D structure	Neuropeptide FF receptor 2	Q9Y5X5	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.266 Low confidence Statistical Significance 0.0326 Supporting Reference Compounds 25 E-value 254.022
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.266 Low confidence Statistical Significance 0.193 Supporting Reference Compounds 532 E-value 1502.65
Click to view 3D structure	Neuropeptide FF receptor 1	Q9GZQ6	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.266 Low confidence Statistical Significance 0.0324 Supporting Reference Compounds 21 E-value 252.076
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.262 Low confidence Statistical Significance 0.203 Supporting Reference Compounds 527 E-value 1580.26
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.262 Low confidence Statistical Significance 0.173 Supporting Reference Compounds 427 E-value 1347.18
Click to view 3D structure	Inducible T-cell costimulator	Q9Y6W8	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.247 Low confidence Statistical Significance 0.0084 Supporting Reference Compounds 1 E-value 65.4712
Click to view 3D structure	Coagulation factor X	P00742	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.266 Low confidence Statistical Significance 0.1351 Supporting Reference Compounds 284 E-value 1051.82
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.25 Low confidence Statistical Significance 0.1664 Supporting Reference Compounds 331 E-value 1295.1
Click to view 3D structure	Melanocyte-stimulating hormone receptor	Q01727	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.252 Low confidence Statistical Significance 0.0357 Supporting Reference Compounds 31 E-value 278.311
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.25 Low confidence Statistical Significance 0.1016 Supporting Reference Compounds 229 E-value 790.637
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.25 Low confidence Statistical Significance 0.1135 Supporting Reference Compounds 195 E-value 883.744
Click to view 3D structure	Melanocortin receptor 4	P56450	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.248 Low confidence Statistical Significance 0.0391 Supporting Reference Compounds 34 E-value 304.39
Click to view 3D structure	Delta-type opioid receptor	P32300	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.25 Low confidence Statistical Significance 0.0742 Supporting Reference Compounds 166 E-value 577.486
Click to view 3D structure	Mu-type opioid receptor	P97266	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.25 Low confidence Statistical Significance 0.0903 Supporting Reference Compounds 186 E-value 703.368
Click to view 3D structure	Kappa-type opioid receptor	P41144	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.25 Low confidence Statistical Significance 0.1046 Supporting Reference Compounds 199 E-value 814.303
Click to view 3D structure	Plasma kallikrein	P03952	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.25 Low confidence Statistical Significance 0.1068 Supporting Reference Compounds 158 E-value 831.352
Click to view 3D structure	Melanocortin receptor 5	P41149	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.252 Low confidence Statistical Significance 0.0367 Supporting Reference Compounds 29 E-value 286.018
Click to view 3D structure	Kappa-type opioid receptor	P34975	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.25 Low confidence Statistical Significance 0.0607 Supporting Reference Compounds 66 E-value 472.389
Click to view 3D structure	Melanocortin receptor 3	P33033	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.246 Low confidence Statistical Significance 0.0359 Supporting Reference Compounds 23 E-value 279.479