Raffinose (CED0002059)

Record Information
Version1.0
Creation Date2016-05-19 03:57:44 UTC
Update Date2026-05-14 19:59:41 UTC
SynCED IDCED0002059
Secondary Accession Numbers
  • CHEM012546
Identification
Common NameRaffinose
ClassSmall Molecule
Description
Raffinose is a chemical compound with the molecular formula C18H32O16. Raffinose belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 504.44 g/mol, Raffinose is a heavy molecule. In industrial applications, the compound is utilized as a conditioner and softener. Raffinose is identified in 17 recorded sources across various sectors. Within food, food processing and cookware, it is found in the preparation of vinegar, the preparation of malt, the preparation of wine or sparkling wine, molasses and treatment of molasses, agglomerated sugar products, and three additional sources. It is also present in household cleaning and consumer products, including tobacco pipes, pipe accessories, tobacco product cases, other smoking requisites, and non electric simulated smoking devices. Furthermore, Raffinose is found in electrical and electronic equipment, specifically in television systems, amplifiers, adjustable resistors, and sparking plugs.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
6g-alpha-D-GalactosylsucroseChEBI
alpha-D-Galactopyranosyl-(1->6)-alpha-D-glucopyranosyl beta-D-fructofuranosideChEBI
alpha-D-Galp-(1->6)-alpha-D-GLCP-(12)-beta-D-frufChEBI
GossyposeChEBI
MelitoseChEBI
MelitrioseChEBI
RafinoseChEBI
RaflinoseChEBI
6g-a-D-GalactosylsucroseGenerator
6g-Α-D-galactosylsucroseGenerator
a-D-Galactopyranosyl-(1->6)-a-D-glucopyranosyl b-D-fructofuranosideGenerator
Α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl β-D-fructofuranosideGenerator
a-D-Galp-(1->6)-a-D-GLCP-(12)-b-D-frufGenerator
Α-D-galp-(1->6)-α-D-GLCP-(12)-β-D-frufGenerator
D-(+)-RaffinoseHMDB
D-RaffinoseHMDB
beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1→6)-alpha-D-glucopyranosideHMDB
Β-D-fructofuranosyl O-α-D-galactopyranosyl-(1→6)-α-D-glucopyranosideHMDB
RaffinoseHMDB
Chemical FormulaC18H32O16
Average Molecular Mass504.437 g/mol
Monoisotopic Mass504.169 g/mol
CAS Registry Number512-69-6
IUPAC Name(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
Traditional Nameraffinose
SMILESOC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChI IdentifierInChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1
InChI KeyMUPFEKGTMRGPLJ-ZQSKZDJDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentOligosaccharides
Alternative Parents
Substituents
  • Oligosaccharide
  • C-glycosyl compound
  • Glycosyl compound
  • O-glycosyl compound
  • Ketal
  • Oxane
  • Tetrahydrofuran
  • Secondary alcohol
  • Acetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Primary alcohol
  • Hydrocarbon derivative
  • 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 RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility669 g/LALOGPS
logP-3.4ALOGPS
logP-6.3ChemAxon
logS0.12ALOGPS
pKa (Strongest Acidic)11.7ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count11ChemAxon
Polar Surface Area268.68 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity101.19 m³·mol⁻¹ChemAxon
Polarizability46.17 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-0i00-0984100000-9982c277f436fd7788a5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4o-0909000000-8e525d469d91c8d958cbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004l-0229100000-0e86b420bc16a12fcb5aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-06vi-1529000000-ca7b5ce31b75cedc69b3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0076-9430100000-a53bd43a032e7db1cb4dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00fr-0986000000-0bdcdaf84ed0bc932795Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uk9-7930060000-ac8500ed18415634b666Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0kp0-9820010000-016241d403acb7b8c491Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-b2481c83084387e12838Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0100090000-6da14a924bf87e052d40Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fb9-2910030000-27a02c65bb1897d0b234Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002r-6910000000-a9a928caa280abfbd94dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9710000000-49017cc7d06a2393eab3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000090000-2f07c4e073c08b44cbc6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0200090000-48ca69a647f8a160cfcfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-2611090000-02d0b16ed861ce2e2251Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ug0-4910020000-75edd90b36765151b923Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-9820000000-163d92c370b7f8085dc9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0kmr-9510000000-b6c552ccce26ade9d72cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05g0-9300000000-7eeb9c4ff5f74d594a40Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05g0-9200000000-1380807250579741586cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ik9-1900000000-88d78100fd1963205798Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0089-9000000000-164eb82eb770ea8209cdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0000090000-69569140a30a010dcd77Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f6t-0000090000-429a86d40bc49f1dba14Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000090000-6338fe324a58068ffb29Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000090000-c35c2b88fa3c4eaecbd0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000090000-e03cca588b0842b52444Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000090000-209435f58a3369eb4778Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000090000-8c10ddd8f2779140b254Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0100090000-fa680ff1d6894f1fe19fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ufr-2911080000-7bf937d1d92561b98ee1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0h70-6910010000-7ce17459c96288f2f032Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0kg9-9610000000-09b41895ad64d767c5cdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05g0-9310000000-2958570f0d0b5bc8fa96Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05g0-9200000000-743ca85b491455e77d39Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000090000-46c63b602ec493c7db07Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0000090000-36a87093f2b7364f60b7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0000090000-08627666cd638da17eb0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0000090000-8a158e32b60fbc0a811bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ufr-1501090000-0da0df34d6be0403148fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fbi-5910010000-188a9986153fdf110a11Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0kg9-9710000000-4b723bc96c36727fa7f5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05g0-9410000000-c81ea617631ed48b5fa1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05g0-9300000000-2d8261f9042f405cc116Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0001090000-ae8750678afa8de21e93Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00b9-0952000000-2af55900404503862fceNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0pb9-9000060000-5826e69e8e467435959eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-1000090000-fb8a5c877d7533d80738Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000090000-bed5599cdb78c996716eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000090000-419b6526d2a9bd76f42eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0200090000-194d8b137c2de9d6f07eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ufr-2910040000-33b0b4959b9887df8690Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fb9-3920010000-718e2b7547e2c2ca5b8cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-7940000000-61a60dc74b478b47446bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-9750000000-cfd6da522982b66e242dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fki-9630000000-7f224aca83643c82fa55Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fe0-9510000000-a4501bf01874f509bf98Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fe0-9510000000-fc27665a277861d7d357Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000090000-c9182d3082245415dc69Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03kc-0930000000-1effac979263fd690628Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0102900000-0bc8af2038afa33b21a4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0009110000-a9f4c0d6f8b608d1e39eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-1609000000-273da33b19ea184c6ac1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-1918100000-ce68f9606f2ecc24ee78Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0001090000-5a16ac68f7abde33bfceNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0003090000-baed84fb1de1cc0f69f3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000x-0008090000-ec0f8403f1210dc2c92fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001l-0009050000-63c1c5ebb413d53800dcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0009000000-d06f7e30ea53c00b736fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0001090000-c5a1503c9a66a0d6a4f0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00or-0007090000-e8331e4b4bdf20b4a34eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0009010000-21d53489a6c42c0696adNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0009000000-e3b5e8ca0736e9880d41Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0009000000-03de7bea37c01229b797Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0019000000-173b4c37abb7df7cc856Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0019000000-af460384f5015b949c1bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0049000000-f67e458f27fc77953272Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0009000000-856fdb590ad7f3758b5bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-91b7ec72b1ece5877985Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0076-9430100000-5c687486d2549a13ac36Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0076-9430100000-a53bd43a032e7db1cb4dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-06vi-1529000000-ca7b5ce31b75cedc69b3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4o-0909000000-e6e3766012c76707c5beNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004l-0129100000-d4732b96cef5fe2d9225Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01q9-0901000000-0da93ae66a255c539613Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03gi-0905000000-b14ef3fbf37ecca83a6bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dl-9800000000-07dcde9d0cb5481f432bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-2901000000-f86191b929c7806ddd56Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03fr-0900000000-e4a2b4341d424cbea7d0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-002e-6910000000-5d77ce1936f86d2012feNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0bt9-0905470000-9fa0f4e64dbe09667951Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0gvt-3901100000-0eb76d9b980cfcf688a9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0005-9500100000-95af153a9ea938e0de82Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0606190000-b2ac7f19cd822317d12fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052f-9305510000-838d2ea50d5e8c21b7d1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05dl-9300000000-794ea315131d086998aaNot 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
11589.0 Log mg/kg [6500:21000]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
FlatulenceAssociated With?decreaseNot AvailablePMC8997616
FlatulenceAssociated With?Not AvailableNot AvailablePMC12345998 , PMC12012864
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
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
CEDs000504Adjustable Resistors?Adjustable resistors, commonly used in various electronic devices, can contribute to synthetic chemical contamination through the materials and substances used in their manufacturing and disposal.Electrical & Electronic EquipmentPubChem
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
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
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000533Sparking Plugs?Spark plugs are critical components in internal combustion engines, facilitating the ignition of fuel-air mixtures by generating a spark.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.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
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
CEDs000546Molasses And Treatment Of Molasses?Molasses is a thick, viscous byproduct of sugar production, derived from the extraction of sugar cane or sugar beet juice.Food, food processing & cookwarePubChem
CEDs000547Preparation Of Malt?Malt preparation involves the germination and drying of cereal grains, primarily barley, to produce malt for brewing and 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
CEDs000550Preparation Of Wort?The preparation of wort involves the extraction of sugars from malted grains, a crucial step in the brewing process.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
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.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
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components 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
CEDs000562Pipe Accessories?Pipe accessories, such as fittings, connectors, and seals, are components used in plumbing systems to facilitate the flow of liquids and gases.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
CEDs000566Tobacco Pipes?Tobacco pipes, often made from materials such as plastic, wood, or metal, can serve as sources of synthetic chemical contamination due to the residues left by tobacco products.Household cleaning & consumer productsPubChem
CEDs000567Tobacco Product Cases?Tobacco product cases can serve as a source of synthetic chemical contamination due to the presence of various additives and chemicals used in tobacco processing and product manufacturing.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.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
CEDs000579Manufacture Of Iron Or Steel?The manufacture of iron or steel involves various processes, including smelting, refining, and alloying, which can result in the release of synthetic chemicals and contaminants.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
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
CEDs000612Body Washing Or Cleaning Implements?Body washing or cleaning implements, such as synthetic sponges, loofahs, and washcloths, can be sources of synthetic chemical contamination due to the materials used in their production.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
CEDs000616Face Mask Cosmetics?Face mask cosmetics often contain a variety of synthetic chemicals, including preservatives, emulsifiers, and fragrances, which can contribute to chemical contamination.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
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesPubChem
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
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.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
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
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000673Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.Aviation & AerospacePubChem
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
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
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
CEDs000690Lime?Lime, primarily comprised of calcium oxide (CaO) or calcium hydroxide (Ca(OH)₂), is widely used in various applications, including as a key ingredient in mortars, plasters, and cement.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
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
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
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
CEDs01200VegetablesFood, food processing & cookwarePMC9169274
CEDs01248Wheat FlourFood, food processing & cookwarePMC10399781
CEDs01375Skim MilkFood, food processing & cookwarePMC8266870
CEDs01438Wheat GermFood, food processing & cookwarePMC7412346
CEDs01614Sugar SolutionsFood, food processing & cookwarePMC12167104
CEDs01643Honeydew HoneysFood, food processing & cookwarePMC11275487
CEDs02255WaterAquatic systems & sedimentsPMC12528253 , PMC12528253
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Endo-beta-N-acetylglucosaminidase structureClick to view 3D structureEndo-beta-N-acetylglucosaminidaseQ9ZB22Arthrobacter protophormiaePredicted (SEA)
Prediction Confidence Score
0.379
Applicability Domain
0.379
Statistical Significance
4.00e-05
Supporting Reference Compounds
1
E-value
0.311397
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
0.354
Applicability Domain
0.419
Statistical Significance
1.30e-04
Supporting Reference Compounds
4
E-value
1.01204
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
0.352
Applicability Domain
0.419
Statistical Significance
1.50e-04
Supporting Reference Compounds
3
E-value
1.16774
PA-I galactophilic lectin structureClick to view 3D structurePA-I galactophilic lectinQ05097Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.419
Statistical Significance
1.90e-04
Supporting Reference Compounds
4
E-value
1.47914
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.302
Statistical Significance
0.0503
Supporting Reference Compounds
332
E-value
391.893
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.302
Statistical Significance
0.0425
Supporting Reference Compounds
242
E-value
330.703
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.302
Statistical Significance
0.0768
Supporting Reference Compounds
407
E-value
598.038
Gap junction beta-2 protein structureClick to view 3D structureGap junction beta-2 proteinP29033HumansPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.305
Statistical Significance
1.80e-04
Supporting Reference Compounds
2
E-value
1.40129
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.302
Statistical Significance
0.0985
Supporting Reference Compounds
372
E-value
766.503
Galectin-3 structureClick to view 3D structureGalectin-3P17931HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.357
Statistical Significance
0.0017
Supporting Reference Compounds
23
E-value
13.3901
Peptidoglycan-N-acetylglucosamine deacetylase structureClick to view 3D structurePeptidoglycan-N-acetylglucosamine deacetylaseQ8DP63Streptococcus pneumoniae (strain ATCC BAA-255 / R6)Predicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.258 Low confidence
Statistical Significance
6.70e-04
Supporting Reference Compounds
1
E-value
5.2159
Click to view 3D structureN-acetyllactosaminide alpha-1,3-galactosyltransferaseP50127Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.257 Low confidence
Statistical Significance
8.60e-04
Supporting Reference Compounds
1
E-value
6.69503
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.282 Low confidence
Statistical Significance
0.1591
Supporting Reference Compounds
472
E-value
1238.89
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.282 Low confidence
Statistical Significance
0.0514
Supporting Reference Compounds
193
E-value
399.834
Beta-1,4-galactosyltransferase 1 structureClick to view 3D structureBeta-1,4-galactosyltransferase 1P08037Bos taurusPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.258 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
2
E-value
9.03051
CD44 antigen structureClick to view 3D structureCD44 antigenP16070HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
6.00e-04
Supporting Reference Compounds
1
E-value
4.67095
CD44 antigen structureClick to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
6.00e-04
Supporting Reference Compounds
1
E-value
4.67095
Trehalose-phosphatase structureClick to view 3D structureTrehalose-phosphataseA8NS89Brugia malayiPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0019
Supporting Reference Compounds
1
E-value
14.7135
Click to view 3D structureAsialoglycoprotein receptor 1P34927Mus musculusPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
1
E-value
9.6533
Solute carrier family 28 member 3 structureClick to view 3D structureSolute carrier family 28 member 3Q9HAS3HumansPredicted (SEA)
Prediction Confidence Score
0.249
Applicability Domain
0.269 Low confidence
Statistical Significance
0.0035
Supporting Reference Compounds
3
E-value
27.3251
Click to view 3D structureLysosomal alpha-glucosidaseQ6P7A9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.468
Statistical Significance
6.70e-04
Supporting Reference Compounds
21
E-value
5.2159
Beta-1,4-galactosyltransferase 1 structureClick to view 3D structureBeta-1,4-galactosyltransferase 1P15291HumansPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.296 Low confidence
Statistical Significance
9.40e-04
Supporting Reference Compounds
2
E-value
7.31783
Click to view 3D structureAlpha 1,4 galactosyltransferaseQ8KHJ3Neisseria meningitidisPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.244 Low confidence
Statistical Significance
0.0013
Supporting Reference Compounds
1
E-value
10.2761
N-acetyllactosaminide alpha-1,3-galactosyltransferase structureClick to view 3D structureN-acetyllactosaminide alpha-1,3-galactosyltransferaseP14769Bos taurusPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.244 Low confidence
Statistical Significance
0.0013
Supporting Reference Compounds
1
E-value
10.2761
Lysine-specific histone demethylase 1A structureClick to view 3D structureLysine-specific histone demethylase 1AO60341HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0638
Supporting Reference Compounds
85
E-value
496.756
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0003213
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDC00001145
BiGG IDNot Available
BioCyc IDCPD-1099
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkRaffinose
Chemspider ID388379
ChEBI ID16634
PubChem Compound ID439242
Kegg Compound IDC00492
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available