[D‐Asp3,(E)‐Dhb7]MC‐HtyHty (CED0044217)

Record Information

Version

1.0

Creation Date

2026-04-06 08:38:49 UTC

Update Date

2026-05-21 08:50:01 UTC

SynCED ID

CED0044217

Secondary Accession Numbers

CHEM120657

Identification

Common Name

[D‐Asp3,(E)‐Dhb7]MC‐HtyHty

Class

Small Molecule

Description

[D‐Asp3,(E)‐Dhb7]MC‐HtyHty belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. This compound is characterized by the chemical formula C56H71N7O14. It has been identified in or released from 13 recorded sources across several diverse sectors. Within electrical and electronic equipment, it is found in cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also present in textiles, leather and furnishings, specifically in carpets, rugs, and synthetic textiles. Other recorded sources include food packaging from the food, food processing and cookware sector, and medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is found in lubricants utilized in energy, oil and gas, as well as industrial manufacturing and chemical processing. One additional sector has also been recorded as a source. Recorded exposure routes for this compound include oral, inhalation, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅₆H₇₁N₇O₁₄

Average Molecular Mass

Not Available

Monoisotopic Mass

1065.506 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C56H71N7O14/c1-7-41-52(70)57-35(5)51(69)61-44(26-19-37-16-22-40(65)23-17-37)54(72)63-46(56(75)76)31-49(67)59-43(25-18-36-14-20-39(64)21-15-36)53(71)60-42(34(4)50(68)62-45(55(73)74)27-28-48(66)58-41)24-13-32(2)29-33(3)47(77-6)30-38-11-9-8-10-12-38/h7-17,20-24,29,33-35,42-47,64-65H,18-19,25-28,30-31H2,1-6H3,(H,57,70)(H,58,66)(H,59,67)(H,60,71)(H,61,69)(H,62,68)(H,63,72)(H,73,74)(H,75,76)/b24-13+,32-29+,41-7+/t33-,34-,35+,42-,43-,44-,45+,46+,47-/m0/s1

InChI Key

DGGUSUVUIGDKFF-VABYWWARSA-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	Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	P67774	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.353 Applicability Domain 0.362 Statistical Significance 3.00e-05 Supporting Reference Compounds 2 E-value 0.233548
Click to view 3D structure	Serine-threonine protein phosphatase 2A regulatory subunit	Q8AWE3	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.356 Statistical Significance 4.00e-05 Supporting Reference Compounds 12 E-value 0.311397
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.252 Low confidence Statistical Significance 0.0968 Supporting Reference Compounds 229 E-value 753.425
Click to view 3D structure	Delta-type opioid receptor	P32300	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.252 Low confidence Statistical Significance 0.0714 Supporting Reference Compounds 166 E-value 555.688
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.252 Low confidence Statistical Significance 0.2074 Supporting Reference Compounds 427 E-value 1614.67
Click to view 3D structure	Mu-opioid receptor	Q8CGM4	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.252 Low confidence Statistical Significance 0.0305 Supporting Reference Compounds 8 E-value 237.596
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.252 Low confidence Statistical Significance 0.2746 Supporting Reference Compounds 527 E-value 2137.43
Click to view 3D structure	Delta-type opioid receptor	P33533	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.252 Low confidence Statistical Significance 0.0932 Supporting Reference Compounds 164 E-value 725.477
Click to view 3D structure	Neuropeptide Y receptor type 4	P50391	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.356 Statistical Significance 0.0301 Supporting Reference Compounds 23 E-value 234.404
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.356 Statistical Significance 0.0883 Supporting Reference Compounds 197 E-value 687.564
Click to view 3D structure	Mu-type opioid receptor	P97266	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.252 Low confidence Statistical Significance 0.0967 Supporting Reference Compounds 186 E-value 752.88
Click to view 3D structure	Uncharacterized protein	F1N083	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.226 Low confidence Statistical Significance 0.0358 Supporting Reference Compounds 1 E-value 278.934
Click to view 3D structure	Kappa-type opioid receptor	P41144	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.23 Low confidence Statistical Significance 0.1457 Supporting Reference Compounds 199 E-value 1134.03
Click to view 3D structure	Kappa-type opioid receptor	P34975	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.231 Low confidence Statistical Significance 0.0813 Supporting Reference Compounds 66 E-value 632.914
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.231 Low confidence Statistical Significance 0.4805 Supporting Reference Compounds 532 E-value 3740.42
Click to view 3D structure	Substance-P receptor	P14600	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.241 Low confidence Statistical Significance 0.0653 Supporting Reference Compounds 34 E-value 508.511
Click to view 3D structure	Mu-type opioid receptor	P42866	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.231 Low confidence Statistical Significance 0.0919 Supporting Reference Compounds 107 E-value 715.668
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.229 Low confidence Statistical Significance 0.2423 Supporting Reference Compounds 173 E-value 1886.52
Click to view 3D structure	Proenkephalin-B	P01213	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.211 Low confidence Statistical Significance 0.0445 Supporting Reference Compounds 1 E-value 346.74
Click to view 3D structure	Breast cancer type 1 susceptibility protein	P38398	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.21 Low confidence Statistical Significance 0.041 Supporting Reference Compounds 1 E-value 319.415
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.229 Low confidence Statistical Significance 0.2885 Supporting Reference Compounds 167 E-value 2246.03
Click to view 3D structure	Aminopeptidase N	P15144	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.21 Low confidence Statistical Significance 0.1109 Supporting Reference Compounds 42 E-value 863.581
Click to view 3D structure	Proteasome subunit beta type-5	P28074	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.217 Low confidence Statistical Significance 0.1876 Supporting Reference Compounds 72 E-value 1460.45
Click to view 3D structure	Peptidyl-glycine alpha-amidating monooxygenase	P19021	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.202 Low confidence Statistical Significance 0.0661 Supporting Reference Compounds 1 E-value 514.583
Click to view 3D structure	Cathepsin J	Q63088	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.217 Low confidence Statistical Significance 0.0435 Supporting Reference Compounds 3 E-value 338.566