PECTIN (CED0001233)

Record Information
Version1.0
Creation Date2016-05-19 02:21:02 UTC
Update Date2026-05-14 17:51:05 UTC
SynCED IDCED0001233
Secondary Accession Numbers
  • CHEM007064
Identification
Common NamePECTIN
ClassSmall Molecule
Description
PECTIN belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. This compound has the formula C6H10O7 and an average molecular weight of 194.14 g/mol. It is identified as part of the organic oxygen compounds superclass and the organooxygen compounds class. In industrial applications, PECTIN serves as a viscosity modifier, emulsifier, binder, stabilizing agent, thickening agent, flavouring and nutrient, solvent, and additive (PMC7758358 ). It is further utilized as a food additive (PMC13025514 ), a stabilizer (PMC12786000 , PMC8158105 ), and a reducing agent (PMC11276287 ). PECTIN is found in or released from four recorded sources related to food, food processing, and cookware, specifically including the processing of fish, the preparation of vinegar, the preparation of wine or sparkling wine, and agglomerated sugar products. Regarding health effects, the compound has a therapeutic effect on inflammation (PMC9785621 ).
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
(+)-XyloseHMDB
2,3,4,5-TetrahydroxypentanalHMDB
D-LyxoseHMDB
DL-XyloseHMDB
L(+)-XyloseHMDB
L-LyxoseHMDB
LyxoseHMDB
Pectin sugarHMDB
PectinoseHMDB
PentoseHMDB
TrobicinHMDB
Pectinic acidHMDB
Calcium pectinateHMDB
Methoxy pectinHMDB
MethoxylpectinHMDB
MethoxypectinHMDB
Zinc pectinateHMDB
GalacturonateHMDB
b-D-GalacturonateHMDB
b-D-Galacturonic acidHMDB
beta-D-GalacturonateHMDB
Β-D-galacturonateHMDB
Β-D-galacturonic acidHMDB
PectinMeSH
b-D-GalactopyranuronateGenerator
b-D-Galactopyranuronic acidGenerator
beta-D-GalactopyranuronateGenerator
Β-D-galactopyranuronateGenerator
Β-D-galactopyranuronic acidGenerator
Chemical FormulaC6H10O7
Average Molecular Mass194.139 g/mol
Monoisotopic Mass194.043 g/mol
CAS Registry Number9000-69-5
IUPAC Name(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Traditional Nameβ-D-galactopyranuronic acid
SMILESO[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
InChI IdentifierInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1
InChI KeyAEMOLEFTQBMNLQ-DTEWXJGMSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentGlucuronic acid derivatives
Alternative Parents
Substituents
  • Glucuronic acid or derivatives
  • Beta-hydroxy acid
  • Hydroxy acid
  • Pyran
  • Monosaccharide
  • Oxane
  • Hemiacetal
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Oxacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic 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
  • yellow colour ?
  • darkening colour ?
  • white colour ?
  • transparent colour ?
  • translucent colour ?
  • brown colour ?
  • orange colour ?
  • haze touch ?
  • viscous touch ?
  • opaque colour ?
  • light brown colour ?
  • clear colour ?
  • browning colour ?
  • haziness colour ?
  • color intensity colour ?
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility295 g/LALOGPS
logP-2.3ALOGPS
logP-2.6ChemAxon
logS0.18ALOGPS
pKa (Strongest Acidic)3.21ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area127.45 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity35.79 m³·mol⁻¹ChemAxon
Polarizability16.37 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0fvi-3900000000-623cfb10797e088f31a3Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-000l-6242950000-7b610ed98440b47c2a32Not 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 Spectrumsplash10-00kr-6900000000-a4a0a279e2e16f432677Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9100000000-1c90dbe22f830f93ad0fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9000000000-cefd20d23fb5136d2104Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-002b-0900000000-142e51c19f7b152d18e6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-056s-1900000000-80978d6e9cf43c2a99aeNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4r-9400000000-fe9d58fcfd8f4880243eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0007-2900000000-eecfa94a9428872c9b56Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000w-4900000000-c10f02b5bf83d62924f0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052f-9200000000-21b195d29543b18b8595Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0900000000-2877a7e6d3ecd32cf172Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000b-7900000000-d748e59637b495442c9eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dl-9100000000-40ac961f184de816ed86Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-3900000000-64f3d0eb26f7bc8ca624Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a73-9300000000-329488f791f643b1c308Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4l-9000000000-474e82a5911096bc3b39Not AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
6726.0 Log mg/kg [3800:12000]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
inflammationHas Therapeutic Effect OnNot AvailableNot AvailablePMC9785621
cancerHas Therapeutic Effect OnNot 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.PMC10918663
colorectal cancerNot AvailableNot AvailableA large intestine cancer that is located in the colon and/or located in the rectum. (DO)PMC11433844
diabetes mellitusAssociated With?Not AvailableA glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)PMC11121366
obesityHas Therapeutic Effect OnNot AvailableA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC9927287
bradycardiaHas Therapeutic Effect OnNot AvailableNot AvailablePMC13150078
Oxidative StressHas Therapeutic Effect OnNot AvailableNot AvailablePMC13206631 , PMC12607384
cardiovascular disorderAssociated With?Not AvailableNot AvailablePMC11121366
Noncommunicable DiseasesHas Therapeutic Effect OnNot AvailableNot AvailablePMC10538179
nutritional deficiency diseaseHas Therapeutic Effect OnNot AvailableNot AvailablePMC9927287
Wound HealingNot AvailableNot AvailableNot AvailablePMC11021955 , PMC10745545
Wound InfectionNot AvailableNot AvailableNot AvailablePMC9664067
Intestinal inflammationHas Therapeutic Effect OnNot AvailableNot AvailablePMC10538179
heavy metal poisoningNot AvailableNot AvailableNot AvailablePMC10745545
Cutaneous woundNot AvailableNot AvailableNot AvailablePMC10138972
HypocholesterolemiaHas Therapeutic Effect OnNot AvailableNot AvailablePMC10918663
Exposure Sources
Source IDSourceSectorReference
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 managementPMC9962965
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
CEDs000541Agglomerated Sugar Products?Agglomerated sugar products are typically formed by the clustering of sugar particles to enhance solubility and improve handling properties in food applications.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
CEDs000548Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.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
CEDs000551Processing Fish?Processing fish can lead to synthetic chemical contamination through various stages of production and preservation.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
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
CEDs000578Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.Industrial manufacturing & chemical processingPubChem
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
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
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
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
CEDs000669PFAS Fire Fighting Foam?PFAS fire fighting foam refers to a class of synthetic foams containing per- and polyfluoroalkyl substances (PFAS), which are designed to suppress flammable liquid fires.Fire suppression systems & agentsPubChem
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
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.Building & ConstructionPubChem
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
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
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, PMC4746199
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
CEDs00748Animal FeedAgriculture & land managementPMC3396330
CEDs00785Soybean HullsAgriculture & land managementPMC10560548
CEDs00801StrawAgriculture & land managementPMC12395462
CEDs00806Agricultural CropsAgriculture & land managementPMC12471274
CEDs01083PharmaceuticalHealthcare, pharmaceuticals & veterinary productsPMC13025514 , PMC11049176
CEDs01090Pharmaceutical ProductsHealthcare, pharmaceuticals & veterinary productsPMC10138972
CEDs01144FoodFood, food processing & cookwarePMC13025514 , PMC9960763
CEDs01145BeveragesFood, food processing & cookwarePMC8618765
CEDs01151FruitsFood, food processing & cookwarePMC7191031 , PMC12786000
CEDs01157FoodsFood, food processing & cookwarePMC8618765 , PMC8658689
CEDs01158Wheat BranFood, food processing & cookwarePMC11139443 , PMC8847967
CEDs01162Dairy ProductsFood, food processing & cookwarePMC12944373 , PMC12786000
CEDs01164BeverageFood, food processing & cookwarePMC10775899
CEDs01168Food ProductsFood, food processing & cookwarePMC7078607 , PMC10494631
CEDs01185Apple JuiceFood, food processing & cookwarePMC4746199 , PMC13298052
CEDs01186Fruit JuicesFood, food processing & cookwarePMC12944373 , PMC7303257
CEDs01192Grape JuicesFood, food processing & cookwarePMC13298052
CEDs01200VegetablesFood, food processing & cookwarePMC12786000 , PMC2953395
CEDs01208FruitFood, food processing & cookwarePMC10997830 , PMC10997830
CEDs01220Processed FoodsFood, food processing & cookwarePMC12786000 , PMC9449745
CEDs01232Food SimulantsFood, food processing & cookwarePMC11817896
CEDs01236Fruit PeelFood, food processing & cookwarePMC8618765
CEDs01245Fruit JuiceFood, food processing & cookwarePMC11492895
CEDs01246Citrus FruitsFood, food processing & cookwarePMC7078607 , PMC12026593
CEDs01262Edible CoatingsFood, food processing & cookwarePMC11200421 , PMC11121366
CEDs01270Functional FoodFood, food processing & cookwarePMC9495313
CEDs01302WineFood, food processing & cookwarePMC11781195 , PMC11781195
CEDs01303Rice BranFood, food processing & cookwarePMC11856480
CEDs01306Passion FruitFood, food processing & cookwarePMC8586962
CEDs01313JuiceFood, food processing & cookwarePMC10992179 , PMC12385386
CEDs01317Sugar Beet PulpFood, food processing & cookwarePMC4320240 , PMC3396330
CEDs01318Fruit PeelsFood, food processing & cookwarePMC11765362 , PMC12254927
CEDs01328Tea LeavesFood, food processing & cookwarePMC12417805 , PMC12417805
CEDs01348Rice StrawFood, food processing & cookwarePMC9962965
CEDs01355Orange JuiceFood, food processing & cookwarePMC8659040
CEDs01381Fruit and Vegetable By-productsFood, food processing & cookwarePMC6418744
CEDs01391Poultry DietsFood, food processing & cookwarePMC7191031
CEDs01405Edible FilmsFood, food processing & cookwarePMC10649233 , PMC8534497
CEDs01437Fruit PomaceFood, food processing & cookwarePMC6418744 , PMC12257379
CEDs01468Sugar BeetFood, food processing & cookwarePMC12786000 , PMC12786000
CEDs01471Dietary FiberFood, food processing & cookwarePMC8913648
CEDs01477Passion Fruit PeelFood, food processing & cookwarePMC11765362 , PMC10536577
CEDs01500Coffee PulpFood, food processing & cookwarePMC10663428 , PMC10347136
CEDs01533Coffee GroundsFood, food processing & cookwarePMC12298952
CEDs01568Fruit MatricesFood, food processing & cookwarePMC8586962
CEDs01581Food MaterialsFood, food processing & cookwarePMC11781195
CEDs01597Food EmulsionsFood, food processing & cookwarePMC9038010
CEDs01604Bread DoughFood, food processing & cookwarePMC7926918
CEDs01606Fruit PulpFood, food processing & cookwarePMC9000640 , PMC9085886
CEDs01625Sugar BeetsFood, food processing & cookwarePMC10745545
CEDs01648Tomato FruitFood, food processing & cookwarePMC6934579
CEDs01655YogurtsFood, food processing & cookwarePMC9960763
CEDs01674Olive FruitFood, food processing & cookwarePMC8470263 , PMC8470263
CEDs01681Food By-productsFood, food processing & cookwarePMC10538179 , PMC10538179
CEDs01728Citrus Fruit PeelFood, food processing & cookwarePMC10536577 , PMC11433844
CEDs01736Citrus Fruit PeelsFood, food processing & cookwarePMC4299797
CEDs01737Fruit By-productsFood, food processing & cookwarePMC7024247 , PMC7024247
CEDs01783Agri-food By-productsFood, food processing & cookwarePMC10538179
CEDs01797PackagingPackagingPMC7692086 , PMC8392450
CEDs01801Food PackagingPackagingPMC8618765 , PMC7704214
CEDs01809Packaging MaterialsPackagingPMC12951614
CEDs01821Food Packaging MaterialsPackagingPMC9561993
CEDs01830Packaging MaterialPackagingPMC10297947
CEDs01831Packaging FilmsPackagingPMC11902144
CEDs01833Food Packaging FilmsPackagingPMC12960698
CEDs01851Packaging FilmPackagingPMC11640364
CEDs01876Edible PackagingPackagingPMC10459708 , PMC9363822
CEDs01904BioplasticsIndustrial manufacturing & chemical processingPMC12257379 , PMC10230146
CEDs02001Agro-industrial ResiduesIndustrial manufacturing & chemical processingPMC11433844 , PMC11433844
CEDs02084Agro-industrial WastesWaste management, landfill & incinerationPMC4746199
CEDs02093Agricultural WasteWaste management, landfill & incinerationPMC13400854
CEDs02103Agri-food WastesWaste management, landfill & incinerationPMC7037811
CEDs02115Agricultural WastesWaste management, landfill & incinerationPMC10768301
CEDs02122Citrus WasteWaste management, landfill & incinerationPMC3396330 , PMC10045761
CEDs02123Orange WasteWaste management, landfill & incinerationPMC11765362 , PMC6474150
CEDs02138Citrus WastesWaste management, landfill & incinerationPMC13025514 , PMC8595006
CEDs02139Coffee WasteWaste management, landfill & incinerationPMC4192581
CEDs02141Fruit WasteWaste management, landfill & incinerationPMC8586962 , PMC8586962
CEDs02143Vegetable WasteWaste management, landfill & incinerationPMC8397233
CEDs02144Apple WasteWaste management, landfill & incinerationPMC8291833 , PMC13257014
CEDs02151Orange Peel WasteWaste management, landfill & incinerationPMC13025514 , PMC13304628
CEDs02158Citrus Peel WasteWaste management, landfill & incinerationPMC6915388 , PMC7412346
CEDs02164Tomato WasteWaste management, landfill & incinerationPMC12134545 , PMC10052168
CEDs02168Fruit WastesWaste management, landfill & incinerationPMC13010901 , PMC9118980
CEDs02170Plant WasteWaste management, landfill & incinerationPMC11243343 , PMC11243343
CEDs02180Citrus Peel WastesWaste management, landfill & incinerationPMC6915388
CEDs02194Waste BiomassWaste management, landfill & incinerationPMC8595006 , PMC7663303
CEDs02205Citrus Processing WasteWaste management, landfill & incinerationPMC11399114 , PMC12388687
CEDs02255WaterAquatic systems & sedimentsPMC10300860 , PMC13364055
CEDs02264SedimentAquatic systems & sedimentsPMC3490849
CEDs02739GlueBuilding & ConstructionPMC10138461 , PMC8588235
CEDs02845CosmeticsPersonal care & cosmeticsPMC11200421 , PMC12177624
CEDs02851CosmeticPersonal care & cosmeticsPMC13025514
CEDs02855Cosmetic ProductPersonal care & cosmeticsPMC11049176
CEDs02881Cosmetic IndustriesPersonal care & cosmeticsPMC11433844
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC5852493
CEDs03205CottonTextiles, leather & furnishingsPMC10667187 , PMC8832013
CEDs03209Cotton FabricsTextiles, leather & furnishingsPMC6481699
CEDs03219Fabric SurfaceTextiles, leather & furnishingsPMC11151160
CEDs03222Cotton FibersTextiles, leather & furnishingsPMC10768301 , PMC12417805
CEDs03224Textile FibresTextiles, leather & furnishingsPMC12525986
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Endopolygalactyuronase structureClick to view 3D structureEndopolygalactyuronaseP79074Chondrostereum purpureumPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
CD44 antigen structureClick to view 3D structureCD44 antigenP16070HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.32
Statistical Significance
1.50e-04
Supporting Reference Compounds
1
E-value
1.16774
CD44 antigen structureClick to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.32
Statistical Significance
1.50e-04
Supporting Reference Compounds
1
E-value
1.16774
Alpha-L-iduronidase structureClick to view 3D structureAlpha-L-iduronidaseP35475HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.288 Low confidence
Statistical Significance
1.20e-04
Supporting Reference Compounds
1
E-value
0.934191
Lectin structureClick to view 3D structureLectinB4EH87Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))Predicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.385
Statistical Significance
0.001
Supporting Reference Compounds
3
E-value
8.01847
Oligo-1,6-glucosidase IMA1 structureClick to view 3D structureOligo-1,6-glucosidase IMA1P53051Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.261 Low confidence
Statistical Significance
0.0021
Supporting Reference Compounds
1
E-value
16.3483
Type 1 fimbrin D-mannose specific adhesin structureClick to view 3D structureType 1 fimbrin D-mannose specific adhesinP08191Escherichia coli K-12Predicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.385
Statistical Significance
0.0015
Supporting Reference Compounds
4
E-value
11.9109
Click to view 3D structureFumarate hydratase, mitochondrialP10173Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.24 Low confidence
Statistical Significance
4.00e-05
Supporting Reference Compounds
1
E-value
0.311397
Click to view 3D structureATP-binding cassette sub-family C member 3O88563Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.231 Low confidence
Statistical Significance
0.0017
Supporting Reference Compounds
1
E-value
13.4679
Click to view 3D structureMultidrug resistance associated proteinQ96QA9Homo sapiensPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.231 Low confidence
Statistical Significance
0.0017
Supporting Reference Compounds
1
E-value
13.4679
ATP-binding cassette sub-family C member 2 structureClick to view 3D structureATP-binding cassette sub-family C member 2Q63120Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.22
Applicability Domain
0.278 Low confidence
Statistical Significance
4.30e-04
Supporting Reference Compounds
12
E-value
3.34752
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.311
Statistical Significance
0.2146
Supporting Reference Compounds
109
E-value
1670.96
Endoplasmin structureClick to view 3D structureEndoplasminP14625HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.311
Statistical Significance
0.0311
Supporting Reference Compounds
31
E-value
241.878
Click to view 3D structureLysosomal acid glucosylceramidaseP17439Mus musculusPredicted (SEA)
Prediction Confidence Score
0.205
Applicability Domain
0.304
Statistical Significance
4.00e-05
Supporting Reference Compounds
2
E-value
0.311397
Neurotrophic factor BDNF precursor form structureClick to view 3D structureNeurotrophic factor BDNF precursor formP23560HumansPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.2 Low confidence
Statistical Significance
5.00e-04
Supporting Reference Compounds
2
E-value
3.89246
Pleiotrophin structureClick to view 3D structurePleiotrophinP21246HumansPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.2 Low confidence
Statistical Significance
5.00e-04
Supporting Reference Compounds
1
E-value
3.89246
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.244 Low confidence
Statistical Significance
0.52
Supporting Reference Compounds
372
E-value
4048.08
Click to view 3D structureSolute carrier organic anion transporter family member 1B2Q9QZX8Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.197 Low confidence
Statistical Significance
9.90e-04
Supporting Reference Compounds
1
E-value
7.70707
Adenosylhomocysteinase structureClick to view 3D structureAdenosylhomocysteinaseP23526HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.311
Statistical Significance
0.0146
Supporting Reference Compounds
19
E-value
113.582
Click to view 3D structureNiemann-Pick C1-like 1 proteinA0MJA4Canis lupus familiarisPredicted (SEA)
Prediction Confidence Score
0.195
Applicability Domain
0.195 Low confidence
Statistical Significance
0.0027
Supporting Reference Compounds
1
E-value
21.4085
Click to view 3D structureNiemann-Pick C1-like 1 proteinA0MJA5Macaca mulattaPredicted (SEA)
Prediction Confidence Score
0.195
Applicability Domain
0.195 Low confidence
Statistical Significance
0.0027
Supporting Reference Compounds
1
E-value
21.4085
Fucose-binding lectin PA-IIL structureClick to view 3D structureFucose-binding lectin PA-IILQ9HYN5Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)Predicted (SEA)
Prediction Confidence Score
0.193
Applicability Domain
0.244 Low confidence
Statistical Significance
0.0013
Supporting Reference Compounds
5
E-value
9.809
Click to view 3D structureMetabotropic glutamate receptor 2P31421Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.25 Low confidence
Statistical Significance
0.2646
Supporting Reference Compounds
53
E-value
2059.73
Metabotropic glutamate receptor 3 structureClick to view 3D structureMetabotropic glutamate receptor 3P31422Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.25 Low confidence
Statistical Significance
0.1448
Supporting Reference Compounds
39
E-value
1127.65
Metabotropic glutamate receptor 2 structureClick to view 3D structureMetabotropic glutamate receptor 2Q14416HumansPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.25 Low confidence
Statistical Significance
0.3616
Supporting Reference Compounds
85
E-value
2815.18
Catalase structureClick to view 3D structureCatalaseP04040HumansKnownNot Available
Endoglucanase structureClick to view 3D structureEndoglucanaseP19424Bacillus sp. (strain KSM-635)KnownNot Available
Concentrations
Not Available
External Links
DrugBank IDDB03652
HMDB IDHMDB0003402
FooDB IDFDB023162
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG ID34162
BioCyc IDPECTIN
METLIN ID6916
PDB IDNot Available
Wikipedia LinkPectin
Chemspider ID390200
ChEBI ID47954
PubChem Compound ID441476
Kegg Compound IDC08348
YMDB IDYMDB00904
ECMDB IDECMDB04097
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available