PS(18:0/18:0) (CED0024132)

Record Information
Version1.0
Creation Date2016-05-27 00:43:51 UTC
Update Date2026-05-14 16:24:15 UTC
SynCED IDCED0024132
Secondary Accession Numbers
  • CHEM040832
Identification
Common NamePS(18:0/18:0)
ClassSmall Molecule
Description
PS(18:0/18:0) belongs to the glycerophosphoserines, a subclass of glycerophospholipids within the organic compounds. With an average molecular weight of 792.09 g/mol, PS(18:0/18:0) is a heavy molecule. It is identified by the chemical formula C42H82NO10P. This compound is found in or released from one recorded source: Electrical & Electronic Equipment (Amplifiers). In terms of biological activity, PS(18:0/18:0) interacts with ten recorded protein targets. These include the mitochondrial proenzyme phosphatidylserine decarboxylase (PISD), scavenger receptor class B member 1 (SCARB1), protein kinase C alpha type (PRKCA), and phosphatidylserine synthase 1 (PTDSS1), as well as six other proteins.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
1,2-Dioctadecanoyl-sn-glycero-3-phosphoserineChEBI
Distearoyl phosphatidylserineChEBI
Phosphatidylserine(18:0/18:0)ChEBI
Phosphatidylserine(36:0)ChEBI
pSer(18:0/18:0)ChEBI
pSer(36:0)ChEBI
1,2-Distearoyl-rac-glycero-3-phosphoserineHMDB
PS(36:0)HMDB
1,2-Dioctadecanoyl-rac-glycero-3-phosphoserineHMDB
PS(18:0/18:0)Lipid Annotator
Chemical FormulaC42H82NO10P
Average Molecular Mass792.089 g/mol
Monoisotopic Mass791.568 g/mol
CAS Registry Number1446756-47-3
IUPAC Name(2S)-2-amino-3-({[(2R)-2,3-bis(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid
Traditional Namedistearoyl phosphatidylserine
SMILES[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O
InChI IdentifierInChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1
InChI KeyTZCPCKNHXULUIY-RGULYWFUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phosphatidylserines. These are glycerophosphoserines in which two fatty acids are bonded to the glycerol moiety through ester linkages. As is the case with diacylglycerols, phosphatidylserines can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerophospholipids
Sub ClassGlycerophosphoserines
Direct ParentPhosphatidylserines
Alternative Parents
Substituents
  • Diacyl-glycerol-3-phosphoserine
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • L-alpha-amino acid
  • Tricarboxylic acid or derivatives
  • Phosphoethanolamine
  • Fatty acid ester
  • Dialkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Fatty acyl
  • Amino acid
  • Amino acid or derivatives
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Carboxylic acid
  • Primary aliphatic amine
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Amine
  • Carbonyl group
  • Organic oxide
  • Primary amine
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic Effects
  • white colour ?
  • brownish colour ?
  • pink colour ?
  • yellowing colour ?
  • pale colour ?
  • rough touch ?
  • colorlessness colour ?
  • discolored colour ?
  • smooth touch ?
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility6.7e-05 g/LALOGPS
logP4.95ALOGPS
logP11.27ChemAxon
logS-7.1ALOGPS
pKa (Strongest Acidic)1.47ChemAxon
pKa (Strongest Basic)9.38ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area171.68 ŲChemAxon
Rotatable Bond Count44ChemAxon
Refractivity215.24 m³·mol⁻¹ChemAxon
Polarizability96.15 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0000000900-22591428bb6273131cdcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0010000900-ba4725252c743910fc6bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0030000900-cf3c4f9f64b537902839Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0089-0090000600-48210c75c026547a63afNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0090000100-ec3346405e185878d998Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0090000000-89495dcfc466d296908eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0090000000-4568190f9e65c021c183Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-1190000000-3fa25288c531b8c8546bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-003r-4290000000-ce23c4801ecc40c857d6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9110000000-81aea2b780940befed87Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0090210000-9f1730651a0fbc8977bfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0090000000-1dfdc3824df469b8ca7eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0090000000-9c09632abef0d1b601bcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004j-9000000000-4db762aff12b7cd28a70Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0090000000-6da632a0f6c80497dbf9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0000000900-ad43347e0c2b9f181d11Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f6x-0000200900-955d6c499624cfead776Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0020900300-6912159483890a11c7f2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-1290300000-491b8e236ede430a15e7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-2290000000-6afbc94f62d8addf459cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-2290000000-4ebf397b083d2182a915Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-4390000000-d9abe2bc891450747000Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0059-9350000000-8df0e4633e0d5b22a808Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9100000000-207e6eeeb84e2412b40eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9000000000-94c9829efd3eb936c5baNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000100900-4341c962e5cfc769019dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0000009000-6ee2af651fab5bf407e4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000l-9020120400-fcdc30f10d82fdda5f30Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000l-9010000000-798fe1f94003146dddccNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000f-9033012100-5441754e2cc7cc4f3a80Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00si-1190130500-5b1e74195d04be9bdfc4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-003r-5390110100-565b2aaae023469aafb8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9120100000-a4c21235308cfbf9bd0bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0000000900-22f4e6d3b83aa10c87d1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0000000900-17d9ea283d8461e2fc2eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0uyl-0030400900-70e48c1c7bfe05920b5bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0di2-0000004900-b07363c5ef8fa9c51310Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0di8-0400004900-849e0b28d70a26c60e0eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0di8-0400004900-849e0b28d70a26c60e0eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0000001900-967376f7485e146e9551Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4l-0001039700-9b17ed1dc15f013df523Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0001039300-b801420ed94c17ec4047Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03fr-0000001690-f46ffd3c331ef45ac956Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0000000290-bd3c59d7585b7c5e6c59Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0090003310-519446df93bcd262bf32Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
5537.0 Log mg/kg [3100:9800]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
inflammationAssociated With?Not AvailableNot AvailablePMC9536876 , PMC5080624
inflammationAssociated With?increaseNot AvailablePMC12995963
cancerAssociated With?Not AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC6347193 , PMC5097029
cancerIs Biomarker OfNot AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC4917876
cancerNot AvailableNot AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC8672028
type 2 diabetes mellitusAssociated With?Not AvailableNot AvailablePMC12197308 , PMC13097170
melanomaAssociated With?increaseA cell type cancer that has material basis in abnormally proliferating cells derives from melanocytes which are found in skin, the bowel and the eye. (DO)PMC6347193
obesityAssociated With?Not AvailableA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC8779691
thrombosisAssociated With?Not AvailableA formation of a blood clot inside a blood vessel, obstructing the flow of blood through the circulatory system.PMC4364016
neurodegenerative diseaseIs Biomarker OfNot AvailableA central nervous system disease that results in the progressive deterioration of function or structure of neurons. (DO)PMC4917876
myocarditisAssociated With?increaseA disorder characterized by inflammation of the muscle tissue of the heart. (NCI CTCAE)PMC12538331
seborrheic dermatitisAssociated With?Not AvailableNot AvailablePMC9712873
Cell DeathAssociated With?Not AvailableNot AvailablePMC12140055
Cell DeathAssociated With?increaseNot AvailablePMC12538331
Abnormality of mitochondrial metabolismAssociated With?Not AvailableNot AvailablePMC13097170
Oxidative StressAssociated With?Not AvailableNot AvailablePMC4917246 , PMC13405709
Oxidative StressAssociated With?increaseNot AvailablePMC12995963
bacterial infectious diseaseIs Biomarker OfNot AvailableNot AvailablePMC4917876
ApoptosisAssociated With?Not AvailableNot AvailablePMC4230938
Cell SurvivalAssociated With?decreaseNot AvailablePMC10340104
metabolic dysfunction-associated steatotic liver diseaseHas Therapeutic Effect OnNot AvailableNot AvailablePMC12402169
genetic diseaseNot AvailableNot AvailableNot AvailablePMC12652805
DandruffAssociated With?Not AvailableNot AvailablePMC9712873
glucose metabolism diseaseAssociated With?Not AvailableNot AvailablePMC13097170
Venous thrombosisAssociated With?Not AvailableNot AvailablePMC9472436
AtelectasisHas Therapeutic Effect OnNot AvailableNot AvailablePMC10626779
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000013Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.Agriculture & land managementPMC10714410 , PMC12390495
CEDs000016Atmospheric fallout?Atmospheric fallout refers to the deposition of airborne particles and chemicals onto the Earth's surface.Air, dust & atmospheric transportPMC11136813
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC10306144 , PMC10494489
CEDs000081Sealants?Sealants are materials used to fill gaps, prevent leakage, and provide protection against environmental elements in various applications, particularly in the construction of buildings and infrastructure.Building & ConstructionPMC11468692
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyPMC13214497 , PMC13214497
CEDs000233Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.Personal care & cosmeticsPubChem
CEDs000464Leachate?Leachate is a liquid that forms when water percolates through waste material, dissolving soluble compounds and carrying various contaminants.Waste management, landfill & incinerationPMC8427741
CEDs000505Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.Electrical & Electronic EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000549Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.Food, food processing & cookwarePubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000659Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000684Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.Building & ConstructionPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000689Glass Fibres?Glass fibres are composed of fine strands of glass, commonly utilized for their tensile strength and lightweight properties.Building & ConstructionPubChem
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.Building & ConstructionPubChem
CEDs000695Treatment Of Milk Or Cream?The treatment of milk or cream involves various processes such as pasteurization, homogenization, and the addition of preservatives to enhance shelf life and safety.Food, food processing & cookwarePubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000738Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem, PMC11789992
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000742Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.Textiles, leather & furnishingsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs00753Agricultural SoilAgriculture & land managementPMC11204539
CEDs00763Fish FeedAgriculture & land managementPMC10559114
CEDs00766Soil SamplesAgriculture & land managementPMC12542589
CEDs00807Soil MatrixAgriculture & land managementPMC11926746
CEDs01079TabletHealthcare, pharmaceuticals & veterinary productsPMC3969488 , PMC3969488
CEDs01081TabletsHealthcare, pharmaceuticals & veterinary productsPMC3969488
CEDs01135Glass SyringeHealthcare, pharmaceuticals & veterinary productsPMC3950555
CEDs01143DietFood, food processing & cookwarePMC13054136
CEDs01144FoodFood, food processing & cookwarePMC12995963
CEDs01148MilkFood, food processing & cookwarePMC12268094
CEDs01171MeatFood, food processing & cookwarePMC7918516
CEDs01186Fruit JuicesFood, food processing & cookwarePMC7918516
CEDs01191CoffeeFood, food processing & cookwarePMC7918516 , PMC12268094
CEDs01194CheeseFood, food processing & cookwarePMC13328557
CEDs01195YogurtFood, food processing & cookwarePMC7918516
CEDs01215Beer SamplesFood, food processing & cookwarePMC10647536
CEDs01345Milk SamplesFood, food processing & cookwarePMC10647536
CEDs01352Edible TissuesFood, food processing & cookwarePMC11615417
CEDs01791Food and Beverage ContainersPackagingPMC9866676
CEDs01792Plastic ContainersPackagingPMC13029877 , PMC8473407
CEDs01796Food ContainersPackagingPMC8539149
CEDs01797PackagingPackagingPMC9119000 , PMC8873133
CEDs01801Food PackagingPackagingPMC9228407 , PMC13029877
CEDs01809Packaging MaterialsPackagingPMC8036651
CEDs01821Food Packaging MaterialsPackagingPMC12610803
CEDs01830Packaging MaterialPackagingPMC12610803
CEDs01862Food Storage ContainersPackagingPMC4298073
CEDs01871Disposable CupsPackagingPMC5740177
CEDs01877PS packagingPackagingPMC13328557
CEDs01879ResinIndustrial manufacturing & chemical processingPMC10963325
CEDs01885ThermoplasticsIndustrial manufacturing & chemical processingPMC12431033
CEDs01886PlasticIndustrial manufacturing & chemical processingPMC9344452 , PMC9344452
CEDs01887MicroplasticsIndustrial manufacturing & chemical processingPMC11062090 , PMC8495182
CEDs01890Composite ResinsIndustrial manufacturing & chemical processingPMC10963325
CEDs01892ThermoplasticIndustrial manufacturing & chemical processingPMC9701582
CEDs01894Plastic MaterialsIndustrial manufacturing & chemical processingPMC9540040 , PMC7362455
CEDs01902Plastic ProductsIndustrial manufacturing & chemical processingPMC12656043 , PMC11207349
CEDs01933Plastic FilmIndustrial manufacturing & chemical processingPMC13303174
CEDs01955Thermoplastic PolymersIndustrial manufacturing & chemical processingPMC12095634
CEDs01991NanoplasticsIndustrial manufacturing & chemical processingPMC11204973 , PMC12199387
CEDs02012Thermoplastic ResinsIndustrial manufacturing & chemical processingPMC4298073
CEDs02069Solid WasteWaste management, landfill & incinerationPMC10963325
CEDs02077Waste PlasticsWaste management, landfill & incinerationPMC11207404 , PMC10552490
CEDs02079Plastic WasteWaste management, landfill & incinerationPMC9119000 , PMC11504343
CEDs02089Municipal WasteWaste management, landfill & incinerationPMC9119000
CEDs02106Municipal Solid WasteWaste management, landfill & incinerationPMC9119000
CEDs02107Waste PlasticWaste management, landfill & incinerationPMC11154918
CEDs02108Plastic WastesWaste management, landfill & incinerationPMC7482306
CEDs02109MSWWaste management, landfill & incinerationPMC11504343 , PMC12884476
CEDs02178Landfill SoilWaste management, landfill & incinerationPMC9838310
CEDs02255WaterAquatic systems & sedimentsPMC10187563 , PMC11080067
CEDs02256Marine EnvironmentAquatic systems & sedimentsPMC10306144 , PMC12656043
CEDs02261Sea WaterAquatic systems & sedimentsPMC10051191 , PMC5740177
CEDs02264SedimentAquatic systems & sedimentsPMC8873133 , PMC10290116
CEDs02268Water SamplesAquatic systems & sedimentsPMC13316213
CEDs02269Natural WatersAquatic systems & sedimentsPMC11780734
CEDs02270RiverAquatic systems & sedimentsPMC10450477
CEDs02276Aquatic EnvironmentAquatic systems & sedimentsPMC10714410 , PMC11522325
CEDs02277Freshwater SystemsAquatic systems & sedimentsPMC11522325
CEDs02280OceanAquatic systems & sedimentsPMC8982333 , PMC7136316
CEDs02293Fresh WaterAquatic systems & sedimentsPMC10558484 , PMC8473407
CEDs02298Aquatic EcosystemAquatic systems & sedimentsPMC8948799
CEDs02300AquaticAquatic systems & sedimentsPMC12703192
CEDs02315SeaAquatic systems & sedimentsPMC8982333 , PMC9630436
CEDs02319Lake WaterAquatic systems & sedimentsPMC10450477
CEDs02324Freshwater EnvironmentAquatic systems & sedimentsPMC10536847
CEDs02330River SedimentsAquatic systems & sedimentsPMC11850550
CEDs02345Lake SedimentAquatic systems & sedimentsPMC11136813
CEDs02386Atlantic OceanAquatic systems & sedimentsPMC9866676
CEDs02408Sea SurfaceAquatic systems & sedimentsPMC12655479
CEDs02417Freshwater FishAquatic systems & sedimentsPMC13316213
CEDs02450Sediment CoreAquatic systems & sedimentsPMC9730841 , PMC9730841
CEDs02495Deep SedimentAquatic systems & sedimentsPMC10494489
CEDs02549Littoral SedimentAquatic systems & sedimentsPMC10494489
CEDs02573Marine LitterAquatic systems & sedimentsPMC12930080
CEDs02589AirAir, dust & atmospheric transportPMC11504192 , PMC12995963
CEDs02591AtmosphereAir, dust & atmospheric transportPMC10306144
CEDs02634Air SamplesAir, dust & atmospheric transportPMC12590796
CEDs02738PaintBuilding & ConstructionPMC10963325
CEDs02742AsphaltBuilding & ConstructionPMC13272586 , PMC13272586
CEDs02765Construction MaterialsBuilding & ConstructionPMC8539149
CEDs02784SealantBuilding & ConstructionPMC11468692
CEDs02822InsulationBuilding & ConstructionPMC8036651
CEDs02959PetroleumEnergy, oil & gasPMC9540040
CEDs02963Petroleum-based PlasticsEnergy, oil & gasPMC11264326 , PMC9967032
CEDs03050Sludge SamplesWastewater, sanitation & biosolidsPMC6476832
CEDs03061WWTPWastewater, sanitation & biosolidsPMC9967032
CEDs03142Faecal SamplesWastewater, sanitation & biosolidsPMC12933616
CEDs03169Consumer ProductsHousehold cleaning & consumer productsPMC7362455
CEDs03227CarpetsTextiles, leather & furnishingsPMC13029877
CEDs03245Nylon MembraneTextiles, leather & furnishingsPMC13154124
CEDs03289StormwaterAutomotive & urban infrastructurePMC13270530
CEDs03427Fishing GearRecreation & sports surfacesPMC8539149
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansKnownNot Available
Click to view 3D structureMyristoylated alanine-rich C-kinase substrateP29966HumansKnownNot Available
Phospholipid-transporting ATPase IA structureClick to view 3D structurePhospholipid-transporting ATPase IAQ9Y2Q0HumansKnownNot Available
CMRF35-like molecule 1 structureClick to view 3D structureCMRF35-like molecule 1Q8TDQ1HumansKnownNot Available
CMRF35-like molecule 8 structureClick to view 3D structureCMRF35-like molecule 8Q9UGN4HumansKnownNot Available
Moesin structureClick to view 3D structureMoesinP26038HumansKnownNot Available
Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6 structureClick to view 3D structureBifunctional arginine demethylase and lysyl-hydroxylase JMJD6Q6NYC1HumansKnownNot Available
Stabilin-2 structureClick to view 3D structureStabilin-2Q8WWQ8HumansKnownNot Available
Annexin A11 structureClick to view 3D structureAnnexin A11P50995HumansKnownNot Available
Rhodopsin structureClick to view 3D structureRhodopsinP08100HumansKnownNot Available
Catalase structureClick to view 3D structureCatalaseP04040HumansKnownNot Available
Click to view 3D structurePhospholipid-transporting ATPase IHP98196HumansKnownNot Available
Phospholipid-transporting ATPase IG structureClick to view 3D structurePhospholipid-transporting ATPase IGQ8NB49HumansKnownNot Available
Heat shock 70 kDa protein 1A structureClick to view 3D structureHeat shock 70 kDa protein 1AP0DMV8HumansKnownNot Available
Disintegrin and metalloproteinase domain-containing protein 10 structureClick to view 3D structureDisintegrin and metalloproteinase domain-containing protein 10O14672HumansKnownNot Available
Click to view 3D structureAdhesion G protein-coupled receptor B1O14514HumansKnownNot Available
Click to view 3D structureLactadherinQ08431HumansKnownNot Available
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)
Prediction Confidence Score
0.671
Applicability Domain
0.75
Statistical Significance
3.00e-05
Supporting Reference Compounds
10
E-value
0.233548
Probable G-protein coupled receptor 34 structureClick to view 3D structureProbable G-protein coupled receptor 34Q9UPC5HumansPredicted (SEA)
Prediction Confidence Score
0.638
Applicability Domain
0.75
Statistical Significance
6.00e-05
Supporting Reference Compounds
11
E-value
0.467095
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansKnownNot Available
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.595
Applicability Domain
0.696
Statistical Significance
1.10e-04
Supporting Reference Compounds
40
E-value
0.856341
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.595
Applicability Domain
0.696
Statistical Significance
8.00e-05
Supporting Reference Compounds
21
E-value
0.622794
Probable G-protein coupled receptor 174 structureClick to view 3D structureProbable G-protein coupled receptor 174Q9BXC1HumansPredicted (SEA)
Prediction Confidence Score
0.585
Applicability Domain
0.75
Statistical Significance
2.00e-05
Supporting Reference Compounds
8
E-value
0.155698
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.554
Applicability Domain
0.696
Statistical Significance
9.00e-05
Supporting Reference Compounds
31
E-value
0.700643
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.544
Applicability Domain
0.646
Statistical Significance
9.00e-05
Supporting Reference Compounds
30
E-value
0.700643
Click to view 3D structureProbable G-protein coupled receptor 34Q9R1K6Mus musculusPredicted (SEA)
Prediction Confidence Score
0.538
Applicability Domain
0.667
Statistical Significance
1.00e-04
Supporting Reference Compounds
8
E-value
0.778492
Click to view 3D structurePutative P2Y purinoceptor 10Q8BFU7Mus musculusPredicted (SEA)
Prediction Confidence Score
0.533
Applicability Domain
0.667
Statistical Significance
1.00e-04
Supporting Reference Compounds
8
E-value
0.778492
Click to view 3D structureG protein-coupled receptor 34aQ6XCC7Danio rerioPredicted (SEA)
Prediction Confidence Score
0.519
Applicability Domain
0.667
Statistical Significance
3.00e-05
Supporting Reference Compounds
2
E-value
0.233548
Click to view 3D structureG protein-coupled receptor 34bB0S6P9Danio rerioPredicted (SEA)
Prediction Confidence Score
0.519
Applicability Domain
0.667
Statistical Significance
3.00e-05
Supporting Reference Compounds
2
E-value
0.233548
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)
Prediction Confidence Score
0.439
Applicability Domain
0.439
Statistical Significance
1.70e-04
Supporting Reference Compounds
1
E-value
1.32344
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)
Prediction Confidence Score
0.43
Applicability Domain
0.549
Statistical Significance
8.00e-05
Supporting Reference Compounds
3
E-value
0.622794
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)
Prediction Confidence Score
0.421
Applicability Domain
0.549
Statistical Significance
1.10e-04
Supporting Reference Compounds
9
E-value
0.856341
Click to view 3D structureProbable G-protein coupled receptor 174Q3U507Mus musculusPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.667
Statistical Significance
7.00e-05
Supporting Reference Compounds
3
E-value
0.544945
Click to view 3D structureMitochondrial carnitine/acylcarnitine carrier proteinO43772HumansPredicted (SEA)
Prediction Confidence Score
0.4
Applicability Domain
0.4
Statistical Significance
5.00e-05
Supporting Reference Compounds
1
E-value
0.389246
Click to view 3D structureLysophosphatidic acid receptor 5Q9H1C0HumansPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.549
Statistical Significance
1.00e-04
Supporting Reference Compounds
12
E-value
0.778492
Click to view 3D structureUDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligaseQ5HMD9Staphylococcus epidermidis (strain ATCC 35984 / RP62A)Predicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
0.339
Statistical Significance
1.60e-04
Supporting Reference Compounds
1
E-value
1.24559
Toll-like receptor 2 structureClick to view 3D structureToll-like receptor 2O60603HumansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.508
Statistical Significance
1.90e-04
Supporting Reference Compounds
9
E-value
1.47914
Protein kinase C alpha type structureClick to view 3D structureProtein kinase C alpha typeP17252HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.553
Statistical Significance
0.0145
Supporting Reference Compounds
258
E-value
113.271
Toll-like receptor 2 structureClick to view 3D structureToll-like receptor 2Q9QUN7Mus musculusPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.392
Statistical Significance
6.60e-04
Supporting Reference Compounds
2
E-value
5.13805
Click to view 3D structureMetabotropic glutamate receptor 6P35349Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.413
Statistical Significance
6.40e-04
Supporting Reference Compounds
24
E-value
4.98235
Sphingosine 1-phosphate receptor 1 structureClick to view 3D structureSphingosine 1-phosphate receptor 1P21453HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.377
Statistical Significance
0.0105
Supporting Reference Compounds
126
E-value
82.0531
Click to view 3D structureMetabotropic glutamate receptor 4P31423Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.413
Statistical Significance
0.0039
Supporting Reference Compounds
38
E-value
30.439
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.304
Statistical Significance
0.0143
Supporting Reference Compounds
197
E-value
111.714
Click to view 3D structureFibroleukinQ14314HumansKnownNot Available
Annexin A5 structureClick to view 3D structureAnnexin A5P08758HumansKnownNot Available
Prothrombin structureClick to view 3D structureProthrombinP00734HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0012378
FooDB IDFDB028996
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDP5S
Wikipedia LinkNot Available
Chemspider ID7826046
ChEBI ID84519
PubChem Compound ID9547096
Kegg Compound IDNot Available
YMDB IDYMDB15583
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available