[D‐Asp3,Dha7]MC‐HphR (CED0070181)

Record Information

Version

1.0

Creation Date

2026-04-06 08:31:10 UTC

Update Date

2026-05-21 08:41:11 UTC

SynCED ID

CED0070181

Secondary Accession Numbers

CHEM120545

Identification

Common Name

[D‐Asp3,Dha7]MC‐HphR

Class

Small Molecule

Description

[D‐Asp3,Dha7]MC‐HphR belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. This compound is characterized by the chemical formula C51H70N10O12 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 associated with synthetic textiles as well as carpets and rugs. It is also recorded in food packaging within the food, food processing and cookware sector. Additionally, the compound is present in medical devices from the healthcare, pharmaceuticals and veterinary products sector. In both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, it is found in lubricants. One other sector has also been recorded as a source. Recorded routes of exposure for [D‐Asp3,Dha7]MC‐HphR include inhalation, oral ingestion, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅₁H₇₀N₁₀O₁₂

Average Molecular Mass

Not Available

Monoisotopic Mass

1014.517 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C51H70N10O12/c1-29(26-30(2)41(73-6)27-35-16-11-8-12-17-35)19-21-36-31(3)44(64)60-39(49(69)70)23-24-42(62)55-32(4)45(65)56-33(5)46(66)59-38(22-20-34-14-9-7-10-15-34)48(68)61-40(50(71)72)28-43(63)57-37(47(67)58-36)18-13-25-54-51(52)53/h7-12,14-17,19,21,26,30-31,33,36-41H,4,13,18,20,22-25,27-28H2,1-3,5-6H3,(H,55,62)(H,56,65)(H,57,63)(H,58,67)(H,59,66)(H,60,64)(H,61,68)(H,69,70)(H,71,72)(H4,52,53,54)/b21-19+,29-26+/t30-,31-,33+,36-,37-,38-,39+,40+,41-/m0/s1

InChI Key

OAEKMBBQVHZUFO-YGMMJAELSA-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 0.33 Applicability Domain 0.339 Statistical Significance 4.00e-05 Supporting Reference Compounds 2 E-value 0.311397
Click to view 3D structure	Neuropeptide Y receptor type 4	P50391	Humans	Predicted (SEA)	Prediction Confidence Score 0.319 Applicability Domain 0.429 Statistical Significance 0.0145 Supporting Reference Compounds 23 E-value 112.648
Click to view 3D structure	Serine-threonine protein phosphatase 2A regulatory subunit	Q8AWE3	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.429 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 0.429 Statistical Significance 0.0173 Supporting Reference Compounds 197 E-value 134.446
Click to view 3D structure	C5a anaphylatoxin chemotactic receptor 1	P30993	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.259 Low confidence Statistical Significance 0.0231 Supporting Reference Compounds 1 E-value 179.598
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.277 Low confidence Statistical Significance 0.1099 Supporting Reference Compounds 331 E-value 855.485
Click to view 3D structure	Neuromedin-U receptor 2	Q8BZ39	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.255 Low confidence Statistical Significance 0.0244 Supporting Reference Compounds 1 E-value 190.03
Click to view 3D structure	Neuropeptide FF receptor 2	Q9Y5X5	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.265 Low confidence Statistical Significance 0.0329 Supporting Reference Compounds 25 E-value 256.513
Click to view 3D structure	Neuropeptide FF receptor 1	Q9GZQ6	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.265 Low confidence Statistical Significance 0.0318 Supporting Reference Compounds 21 E-value 247.794
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.265 Low confidence Statistical Significance 0.1993 Supporting Reference Compounds 532 E-value 1551.38
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.261 Low confidence Statistical Significance 0.1962 Supporting Reference Compounds 527 E-value 1527.64
Click to view 3D structure	Coagulation factor X	P00742	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.264 Low confidence Statistical Significance 0.1199 Supporting Reference Compounds 284 E-value 933.568
Click to view 3D structure	Melanocyte-stimulating hormone receptor	Q01727	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.26 Low confidence Statistical Significance 0.034 Supporting Reference Compounds 31 E-value 264.687
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.26 Low confidence Statistical Significance 0.1767 Supporting Reference Compounds 427 E-value 1375.52
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.277 Low confidence Statistical Significance 0.0989 Supporting Reference Compounds 195 E-value 770.318
Click to view 3D structure	Rhomboid protease GlpG	P09391	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.252 Low confidence Statistical Significance 0.0183 Supporting Reference Compounds 2 E-value 142.698
Click to view 3D structure	Protein phosphatase 1A	P35813	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.424 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.246 Low confidence Statistical Significance 0.101 Supporting Reference Compounds 229 E-value 785.966
Click to view 3D structure	Melanocortin receptor 5	P41149	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.26 Low confidence Statistical Significance 0.0354 Supporting Reference Compounds 29 E-value 275.664
Click to view 3D structure	Melanocortin receptor 3	P33033	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.244 Low confidence Statistical Significance 0.0345 Supporting Reference Compounds 23 E-value 268.813
Click to view 3D structure	Melanocortin receptor 4	P56450	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.247 Low confidence Statistical Significance 0.0388 Supporting Reference Compounds 34 E-value 302.289
Click to view 3D structure	Mu-type opioid receptor	P97266	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.25 Low confidence Statistical Significance 0.0868 Supporting Reference Compounds 186 E-value 675.887
Click to view 3D structure	Cathepsin Z	Q9R1T3	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.278 Low confidence Statistical Significance 0.0214 Supporting Reference Compounds 2 E-value 166.364
Click to view 3D structure	Delta-type opioid receptor	P32300	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.242 Low confidence Statistical Significance 0.076 Supporting Reference Compounds 166 E-value 591.888
Click to view 3D structure	Kappa-type opioid receptor	P34975	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.246 Low confidence Statistical Significance 0.0609 Supporting Reference Compounds 66 E-value 474.024