[L-Ser7]MC-EE(OMe) (CED0170108)

Record Information

Version

1.0

Creation Date

2026-04-06 08:29:18 UTC

Update Date

2026-05-21 08:38:39 UTC

SynCED ID

CED0170108

Secondary Accession Numbers

CHEM120517

Identification

Common Name

[L-Ser7]MC-EE(OMe)

Class

Small Molecule

Description

[L-Ser7]MC-EE(OMe) belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. This organic acid and derivative possesses the chemical formula C47H67N7O17. The compound has been identified in or released from 13 recorded sources across various sectors. Within the energy, oil and gas, and industrial manufacturing and chemical processing sectors, it is found in lubricants. In the healthcare, pharmaceuticals and veterinary products sector, it is associated with medical devices. In the food, food processing and cookware sector, it is found in food packaging. It is also present in textiles, leather and furnishings, specifically in synthetic textiles as well as carpets and rugs. Additionally, it is found in electrical and electronic equipment, including batteries, capacitors, printed circuit boards, wires and cables, cell phones, and one other source. The compound is also present in one further unnamed sector. Recorded exposure routes for [L-Ser7]MC-EE(OMe) include oral, inhalation, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄₇H₆₇N₇O₁₇

Average Molecular Mass

Not Available

Monoisotopic Mass

1001.459 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C47H67N7O17/c1-24(21-25(2)35(70-6)22-29-11-9-8-10-12-29)13-14-30-26(3)40(60)53-33(46(66)67)15-18-36(56)49-34(23-55)45(65)48-28(5)42(62)52-31(16-19-37(57)58)44(64)54-39(47(68)69)27(4)41(61)51-32(43(63)50-30)17-20-38(59)71-7/h8-14,21,25-28,30-35,39,55H,15-20,22-23H2,1-7H3,(H,48,65)(H,49,56)(H,50,63)(H,51,61)(H,52,62)(H,53,60)(H,54,64)(H,57,58)(H,66,67)(H,68,69)/b14-13+,24-21+/t25-,26-,27-,28+,30-,31-,32-,33+,34-,35-,39+/m0/s1

InChI Key

RCXSHZJBABBPCQ-XSTWSXKBSA-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	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.229 Low confidence Statistical Significance 0.1765 Supporting Reference Compounds 229 E-value 1373.73
Click to view 3D structure	Breast cancer type 1 susceptibility protein	P38398	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.218 Low confidence Statistical Significance 0.0338 Supporting Reference Compounds 1 E-value 262.897
Click to view 3D structure	Delta-type opioid receptor	P32300	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.229 Low confidence Statistical Significance 0.1239 Supporting Reference Compounds 166 E-value 964.552
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.229 Low confidence Statistical Significance 0.5288 Supporting Reference Compounds 527 E-value 4116.82
Click to view 3D structure	Mu-opioid receptor	Q8CGM4	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.229 Low confidence Statistical Significance 0.0502 Supporting Reference Compounds 8 E-value 391.037
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.229 Low confidence Statistical Significance 0.4452 Supporting Reference Compounds 427 E-value 3465.69
Click to view 3D structure	Mu-type opioid receptor	P97266	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.229 Low confidence Statistical Significance 0.168 Supporting Reference Compounds 186 E-value 1307.63
Click to view 3D structure	Delta-type opioid receptor	P33533	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.229 Low confidence Statistical Significance 0.1791 Supporting Reference Compounds 164 E-value 1394.59
Click to view 3D structure	Ribonucleoside-diphosphate reductase large subunit	P07742	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.21 Low confidence Statistical Significance 0.0309 Supporting Reference Compounds 1 E-value 240.865
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P30557	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.233 Low confidence Statistical Significance 0.0885 Supporting Reference Compounds 32 E-value 689.277
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	P32240	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.233 Low confidence Statistical Significance 0.1006 Supporting Reference Compounds 29 E-value 782.93
Click to view 3D structure	Adenomatous polyposis coli protein	P25054	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.208 Low confidence Statistical Significance 0.0397 Supporting Reference Compounds 1 E-value 309.373
Click to view 3D structure	Substance-P receptor	P14600	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.218 Low confidence Statistical Significance 0.0891 Supporting Reference Compounds 34 E-value 693.714
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.22 Low confidence Statistical Significance 0.3092 Supporting Reference Compounds 215 E-value 2406.79
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.211 Low confidence Statistical Significance 0.3338 Supporting Reference Compounds 173 E-value 2598.37
Click to view 3D structure	Calpain small subunit 1	P04574	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.207 Low confidence Statistical Significance 0.0389 Supporting Reference Compounds 3 E-value 302.911
Click to view 3D structure	Proteasome subunit beta type-5	P28074	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.215 Low confidence Statistical Significance 0.1761 Supporting Reference Compounds 72 E-value 1370.77
Click to view 3D structure	Angiotensin-converting enzyme	P12821	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.212 Low confidence Statistical Significance 0.1458 Supporting Reference Compounds 46 E-value 1134.81
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.211 Low confidence Statistical Significance 0.3396 Supporting Reference Compounds 167 E-value 2644.07
Click to view 3D structure	Uncharacterized protein	F1N083	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.203 Low confidence Statistical Significance 0.0559 Supporting Reference Compounds 1 E-value 435.489
Click to view 3D structure	Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	P67774	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 0.371 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 0.246 Applicability Domain 0.324 Statistical Significance 6.00e-05 Supporting Reference Compounds 12 E-value 0.467095
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.324 Statistical Significance 0.0934 Supporting Reference Compounds 197 E-value 727.267
Click to view 3D structure	Peptidyl-glycine alpha-amidating monooxygenase	P19021	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.224 Low confidence Statistical Significance 0.0353 Supporting Reference Compounds 1 E-value 274.886
Click to view 3D structure	Neuropeptide Y receptor type 4	P50391	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.324 Statistical Significance 0.0366 Supporting Reference Compounds 23 E-value 284.85