WHEY (CED0001398)

Record Information
Version1.0
Creation Date2016-05-19 02:30:52 UTC
Update Date2026-04-14 22:24:07 UTC
SynCED IDCED0001398
Secondary Accession Numbers
  • CHEM007843
Identification
Common NameWHEY
ClassSmall Molecule
Description
WHEY is an organic compound with the chemical formula C3H6O3 and an average molecular weight of 90.08 g/mol. WHEY belongs to the alpha hydroxy acids and derivatives, a subclass of hydroxy acids and derivatives within the organic compounds. In industrial applications, the compound serves a wide variety of roles and uses. It is utilized as a solvent, a dye, and a surface modifier. Additionally, it functions as a thickening agent, a softener and conditioner, and a flavouring and nutrient. It is also categorized as a processing aid not otherwise specified. WHEY is recorded as being found in or released from five specific sources. Within the building and construction sector, it is associated with ceilings, fencing, floors, and roofs. In the realm of electrical and electronic equipment, it is found in antennas.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
2-Hydroxypropionic acidChEBI
Lactic acidChEBI
LactateKegg
2-HydroxypropionateGenerator
2-HydroxypropanoateGenerator
2 Hydroxypropanoic acidHMDB
2 Hydroxypropionic acidHMDB
Ammonium lactateHMDB
D Lactic acidHMDB
D-Lactic acidHMDB
L Lactic acidHMDB
L-Lactic acidHMDB
Lactate, ammoniumHMDB
Sarcolactic acidHMDB
2-Hydroxypropanoic acidMeSH, KEGG
Chemical FormulaC3H6O3
Average Molecular Mass90.078 g/mol
Monoisotopic Mass90.032 g/mol
CAS Registry Number92129-90-3
IUPAC Name2-hydroxypropanoic acid
Traditional Namelactic acid
SMILESCC(O)C(O)=O
InChI IdentifierInChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
InChI KeyJVTAAEKCZFNVCJ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassHydroxy acids and derivatives
Sub ClassAlpha hydroxy acids and derivatives
Direct ParentAlpha hydroxy acids and derivatives
Alternative Parents
Substituents
  • Alpha-hydroxy acid
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • 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
  • off-flavor taste ?
  • sour taste ?
  • yellowish colour ?
  • acidic taste ?
  • alcoholic odour ?
  • lack of odour ?
  • poor taste ?
  • smooth touch ?
  • strong odour ?
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility562 g/LALOGPS
logP-0.79ALOGPS
logP-0.47ChemAxon
logS0.79ALOGPS
pKa (Strongest Acidic)3.78ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area57.53 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity18.84 m³·mol⁻¹ChemAxon
Polarizability8.05 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-014i-1900000000-e4b0458c1830f2273dbfNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00kb-9000000000-e9462d6d6eeac598b73bNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00kb-0900000000-31df199e59f138c8cc73Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-01b9-9620000000-f7faa7db9c1be3d9d975Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0007-9000000000-d5da3d894fa63e70ca23Not 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 Spectrumsplash10-000i-9000000000-32a7c59ca2c276cf73a6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dl-9000000000-02a1cd4a8992ca170923Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dj-9000000000-aea7835dfa5a89c7ad72Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05dj-9000000000-853c8ae85554cbf4f3aaNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dl-9000000000-02a1cd4a8992ca170923Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dj-9000000000-aea7835dfa5a89c7ad72Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05dj-9000000000-853c8ae85554cbf4f3aaNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dl-9000000000-02a1cd4a8992ca170923Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dj-9000000000-aea7835dfa5a89c7ad72Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05dj-9000000000-853c8ae85554cbf4f3aaNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dl-9000000000-02a1cd4a8992ca170923Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dj-9000000000-aea7835dfa5a89c7ad72Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05dj-9000000000-853c8ae85554cbf4f3aaNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dl-9000000000-02a1cd4a8992ca170923Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dj-9000000000-aea7835dfa5a89c7ad72Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05dj-9000000000-853c8ae85554cbf4f3aaNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-9000000000-b6d22eee857dbd8c67c1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0079-9000000000-79419ab380c5c954afa8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9000000000-1ab6a665296f80ee0127Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-9000000000-b6d22eee857dbd8c67c1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0079-9000000000-79419ab380c5c954afa8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9000000000-1ab6a665296f80ee0127Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-9000000000-b6d22eee857dbd8c67c1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0079-9000000000-79419ab380c5c954afa8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9000000000-1ab6a665296f80ee0127Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-9000000000-b6d22eee857dbd8c67c1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0079-9000000000-79419ab380c5c954afa8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9000000000-1ab6a665296f80ee0127Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-9000000000-b6d22eee857dbd8c67c1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0079-9000000000-79419ab380c5c954afa8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9000000000-1ab6a665296f80ee0127Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-9000000000-b586cb8f053eb4465b4eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-9000000000-400a5f1c0dfcc32ef2bbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0007-9000000000-ad5eb77c7e0a96f3a40aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-9000000000-00ba25458eb6c0cc2940Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-9000000000-00ba25458eb6c0cc2940Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-9000000000-00ba25458eb6c0cc2940Not AvailableView Spectrum
MSMS Spectrumsplash10-0002-9000000000-6b805941ef8da414e517Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2409.0 Log mg/kg [1400:4300]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
arthritisHas Therapeutic Effect OnNot AvailableA disorder characterized by inflammation involving a joint. (NCI CTCAE)PMC10541307
inflammationAssociated With?Not AvailableNot AvailablePMC13157016 , PMC8129133
inflammationAssociated With?increaseNot AvailablePMC9222895
inflammationAssociated With?decreaseNot AvailablePMC10817058 , PMC11699620
inflammationHas Therapeutic Effect OnNot AvailableNot AvailablePMC11625643 , PMC11839720
cancerAssociated With?increaseCancer 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.PMC9910008
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.PMC11651419 , PMC3365481
dementiaHas Therapeutic Effect OnNot AvailableA cognitive disorder resulting from a loss of brain function affecting memory, thinking, language, judgement and behavior. (DO)PMC4392815
type 2 diabetes mellitusAssociated With?increaseNot AvailablePMC10717775
overweightAssociated With?decreaseNot AvailablePMC11409641
fatigueAssociated With?Not AvailableA disorder characterized by a state of generalized weakness with a pronounced inability to summon sufficient energy to accomplish daily activities. (NCI CTCAE)PMC12192122
fatigueAssociated With?decreaseA disorder characterized by a state of generalized weakness with a pronounced inability to summon sufficient energy to accomplish daily activities. (NCI CTCAE)PMC12385269
multiple myelomaNot AvailableNot AvailableA myeloid neoplasm that is located in the plasma cells in bone marrow. (DO)PMC7156787 , PMC7156787
cervical cancerAssociated With?Not AvailableA female reproductive organ cancer that is located in the cervix. (DO)PMC12935477
diarrheaHas Therapeutic Effect OnNot AvailableA disorder characterized by an increase in frequency and/or loose or watery bowel movements. (NCI CTCAE)PMC13408738
neuropathic painNot AvailableNot AvailableNot AvailablePMC6970357
melanomaIs Biomarker OfNot AvailableA 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)PMC9866771
psoriasisAssociated With?Not AvailableA disorder characterized by a quicker life span of skin cells causing cells to build up rapidly on the surface of the skin.PMC9866771
heart failureAssociated With?Not AvailableA disorder characterized by the inability of the heart to pump blood at an adequate volume to meet tissue metabolic requirements, or, the ability to do so only at an elevation in the filling pressure. (NCI CTCAE)PMC9328037
goutHas Therapeutic Effect OnNot AvailableAn arthritis that has material basis in uric acid crystal deposits located in joint. (DO)PMC11839720
AcneNot AvailableNot AvailableA disorder of the skin in which oil glands and hair glands become inflamed.PMC11364480 , PMC11364480
heart diseaseHas Therapeutic Effect OnNot AvailableA cardiovascular system disease that involves the heart. (DO)PMC10541307
pneumoniaElevated in Blood InincreaseA lung disease that involves lung parenchyma or alveolar inflammation and abnormal alveolar filling with fluid (consolidation and exudation). It results from a variety of causes including infection with bacteria, viruses, fungi or parasites, and chemical or physical injury to the lungs. It is accompanied by fever, chills, cough, and difficulty in breathing. (DO)PMC6650585
neuropathyHas Therapeutic Effect OnNot AvailableA nervous system disease that is located in nerves or nerve cells. (do).PMC9099826
ischemiaAssociated With?decreaseA disorder characterized by a decrease or absence of blood supply to an organ or tissue, caused by obstruction (thrombosis or embolism) of an artery. (NCI CTCAE)PMC7333894
candidiasisNot AvailableNot AvailableAn opportunistic mycosis that involves fungal infection of the mouth, throat, skin, scalp, vagina, fingers, nails, bronchi, lungs, heart and brain by Candida species, of which Candida albicans is the most common. Systemic Candida infections are usually confined to severely immunocompromised persons.PMC8156871
dyspneaAssociated With?decreaseNot AvailablePMC13033176
lactic acidosisElevated in Blood InincreaseAn acquired metabolic disease that has material basis in low pH in body tissues and blood accompanied by the buildup of lactate especially D-lactate. (DO)PMC12453945
lactic acidosisAssociated With?increaseAn acquired metabolic disease that has material basis in low pH in body tissues and blood accompanied by the buildup of lactate especially D-lactate. (DO)PMC8839250
altered mental statusElevated in Blood InincreaseNot AvailablePMC7427457
myocarditisHas Therapeutic Effect OnNot AvailableA disorder characterized by inflammation of the muscle tissue of the heart. (NCI CTCAE)PMC11839720
hepatic fibrosisNot AvailableNot AvailableNot AvailablePMC11625643
cerebral palsyAssociated With?Not AvailableA brain disease that is caused by damage to the motor control centers of the developing brain during pregnancy, during childbirth or after birth, which affects muscle movement and balance. (DO)PMC6333419
Cell DeathAssociated With?decreaseNot AvailablePMC12445843
FibrosisAssociated With?Not AvailableNot AvailablePMC13157016
SepsisElevated in Blood InincreaseNot AvailablePMC12453945
metabolic diseaseAssociated With?Not AvailableNot AvailablePMC5872051
DeathAssociated With?Not AvailableNot AvailablePMC6333419
Waist CircumferenceAssociated With?inverseNot AvailablePMC11409641
Premature birthAssociated With?increaseNot AvailablePMC13317060
constipation disorderElevated in Blood InincreaseNot AvailablePMC12453945
constipation disorderHas Therapeutic Effect OnNot AvailableNot AvailablePMC13408738
Muscle StrengthAssociated With?decreaseNot AvailablePMC6270581
acute kidney injuryHas Therapeutic Effect OnNot AvailableNot AvailablePMC11625643
CardiotoxicityIs Biomarker OfNot AvailableNot AvailablePMC7098380 , PMC11187623
Neoplasm MetastasisAssociated With?Not AvailableNot AvailablePMC9910008
HypoxiaAssociated With?Not AvailableNot AvailablePMC9328037 , PMC3820302
HypoxiaAssociated With?increaseNot AvailablePMC4313724
Drug Resistance, MultipleAssociated With?Not AvailableNot AvailablePMC12382220 , PMC12382220
cardiogenic shockElevated in Blood InincreaseNot AvailablePMC12453945
Foreign-Body ReactionAssociated With?decreaseNot AvailablePMC10817058
Intestinal inflammationAssociated With?Not AvailableNot AvailablePMC13416175
acidosis disorderAssociated With?Not AvailableNot AvailablePMC13157016 , PMC4498934
acidosis disorderAssociated With?increaseNot AvailablePMC8347150
HypovolemiaElevated in Blood InincreaseNot AvailablePMC12453945
Rigor MortisElevated in Blood InNot AvailableNot AvailablePMC12565842
Rigor MortisAssociated With?Not AvailableNot AvailablePMC12248625
tonic-clonic seizureElevated in Blood InincreaseNot AvailablePMC7427457
thromboangiitis obliteransNot AvailableNot AvailableNot AvailablePMC11625643
muscle sorenessAssociated With?Not AvailableNot AvailablePMC8957454
wearinessElevated in Blood InincreaseNot AvailablePMC11616420
Stroke-like episodeAssociated With?Not AvailableNot AvailablePMC10580013
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 managementPMC11205212 , PMC7503436
CEDs000070Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.Automotive & urban infrastructurePubChem
CEDs000181Ballast water?Ballast water, taken on by ships to maintain stability and balance, often contains a diverse array of microorganisms, including bacteria, viruses, and plankton.Marine, shipping & aquaculturePubChem
CEDs000182Bilge water?Bilge water is a byproduct generated from the accumulation of water in the lowest part of a ship's hull, which may include a mixture of seawater, oil, fuel residues, and various contaminants.Marine, shipping & aquaculturePubChem
CEDs000479Effluent?Effluent refers to liquid waste or sewage that is discharged into the environment, typically resulting from industrial processes, municipal wastewater treatment, or agricultural runoff.Wastewater, sanitation & biosolidsPMC8320890 , PMC8320890
CEDs000484Activated sludge?Activated sludge refers to a mixture of microorganisms and organic matter used in the biological treatment of wastewater.Wastewater, sanitation & biosolidsPMC11232001
CEDs000495Ceilings?Ceilings in built environments can be a source of synthetic chemical contamination due to the materials used in their construction and finishes.Building & ConstructionPubChem
CEDs000496Fencing?Fencing materials, particularly those used in construction and landscaping, can be a source of synthetic chemical contamination due to the treatments and coatings applied for durability and weather resistance.Building & ConstructionPubChem
CEDs000497Floors?Floors in built environments can be a significant source of synthetic chemical contamination due to the materials and finishes used in their construction.Building & ConstructionPubChem
CEDs000499Roofs?Roofs can be a significant source of synthetic chemical contamination due to the materials used in their construction and maintenance.Building & ConstructionPubChem
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
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
CEDs000664Fire Fighting Gels?Fire fighting gels are synthetic chemical formulations designed to enhance fire suppression effectiveness by creating a protective barrier against heat and flames.Fire suppression systems & agentsPubChem
CEDs000665Fire Extinguishers?Fire extinguishers contain various synthetic chemicals designed to suppress flames and prevent the spread of fire.Fire suppression systems & agentsPubChem
CEDs000667Gaseous Fire Fighting?Gaseous fire fighting systems utilize synthetic chemicals, such as halocarbons and inert gases, to suppress fires through chemical and physical processes.Fire suppression systems & agentsPubChem
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
CEDs000670Solid Fire Fighting Substances?Solid fire fighting substances, such as certain types of dry chemical powders, are used in fire suppression applications to extinguish flames and prevent fire spread.Fire suppression systems & agentsPubChem
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
CEDs000692Silica Free Oxide Glass?Silica Free Oxide Glass is a type of glass that is produced using alternative materials to traditional silica-based formulations.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
CEDs000694Cheese Making?Cheese making involves the fermentation of milk, utilizing bacteria and enzymes to coagulate proteins and develop flavor.Food, food processing & cookwarePubChem
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
CEDs000699Mining Or Quarrying?Mining and quarrying operations can lead to synthetic chemical contamination through the release of various pollutants associated with the extraction and processing of minerals.Mining & metal processingPubChem
CEDs000705Bookbinding?Bookbinding involves the use of various synthetic chemicals, including adhesives, inks, and coatings, which can contribute to environmental contamination.Paper, pulp & fiber productsPubChem
CEDs000710Chalks?Chalks, primarily composed of calcium carbonate, are commonly used in various industrial applications, including as fillers and coatings in the production of paper and related products.Paper, pulp & fiber productsPubChem
CEDs000711Coloured Pencils?Coloured pencils are commonly used tools for artistic expression and education, composed primarily of a wood casing and a core made from a mixture of pigments, binders, and waxes.Paper, pulp & fiber productsPubChem
CEDs000714Embossing Machines?Embossing machines are industrial devices used to create raised patterns or designs on materials, including paper and fiber products.Paper, pulp & fiber productsPubChem
CEDs000716Erasers?Erasers, commonly used in writing and drawing applications, are often made from synthetic rubber or thermoplastic materials, which can contain various additives such as plasticizers, fillers, and colorants.Paper, pulp & fiber productsPubChem
CEDs000719Ink Reservoir Pens?Ink reservoir pens are writing instruments that contain a reservoir filled with ink, often made from synthetic dyes and solvents.Paper, pulp & fiber productsPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000729Stamps?Stamps, particularly those produced using synthetic inks and adhesives, can contribute to chemical contamination when disposed of improperly.Paper, pulp & fiber productsPubChem
CEDs000730Contact Lens Cases?Contact lens cases are small containers designed to store contact lenses in a sterile environment, typically made from various synthetic materials including plastics such as polypropylene or polycarbonate.Healthcare, pharmaceuticals & veterinary 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
CEDs000737Chemical Igniters?Chemical igniters are substances or devices designed to initiate combustion in various applications, often found in products like lighters, candles, and certain household cleaning agents.Household itemsPubChem
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
CEDs00749CornAgriculture & land managementPMC12194211 , PMC8705587
CEDs00751FeedAgriculture & land managementPMC10770880
CEDs00755MaizeAgriculture & land managementPMC9601460
CEDs00765Agricultural ProductsAgriculture & land managementPMC7887399
CEDs00769SilageAgriculture & land managementPMC7888497 , PMC7888497
CEDs00775FeedsAgriculture & land managementPMC3022021
CEDs00777Feed SolutionAgriculture & land managementPMC7559008 , PMC7559008
CEDs00780Corn Stover HydrolysateAgriculture & land managementPMC4156441
CEDs00781Corn StarchAgriculture & land managementPMC9229942 , PMC10297947
CEDs00782RhizosphereAgriculture & land managementPMC13332066 , PMC11174575
CEDs00786Corn StoverAgriculture & land managementPMC11611046 , PMC12361497
CEDs00806Agricultural CropsAgriculture & land managementPMC7700632
CEDs00857Agricultural BiomassAgriculture & land managementPMC8461358
CEDs01000Grass SilageAgriculture & land managementPMC10117822
CEDs01071Corn mashAgriculture & land managementPMC10541714 , PMC10541714
CEDs01082PharmaceuticalsHealthcare, pharmaceuticals & veterinary productsPMC4353336 , PMC10297653
CEDs01083PharmaceuticalHealthcare, pharmaceuticals & veterinary productsPMC9739764
CEDs01121Dental CalculusHealthcare, pharmaceuticals & veterinary productsPMC13234698
CEDs01130Dental PlaqueHealthcare, pharmaceuticals & veterinary productsPMC4559222
CEDs01144FoodFood, food processing & cookwarePMC10381705 , PMC10963064
CEDs01145BeveragesFood, food processing & cookwarePMC5385174
CEDs01147BeerFood, food processing & cookwarePMC12839214 , PMC8693924
CEDs01148MilkFood, food processing & cookwarePMC13390663 , PMC10346627
CEDs01158Wheat BranFood, food processing & cookwarePMC8834576
CEDs01159Wheat StrawFood, food processing & cookwarePMC8398503 , PMC11611046
CEDs01162Dairy ProductsFood, food processing & cookwarePMC13390663 , PMC13390663
CEDs01164BeverageFood, food processing & cookwarePMC9739764
CEDs01171MeatFood, food processing & cookwarePMC6560419 , PMC12173042
CEDs01177BreadFood, food processing & cookwarePMC10527965
CEDs01183WheatFood, food processing & cookwarePMC8705587
CEDs01190Green Coffee BeansFood, food processing & cookwarePMC12859811
CEDs01194CheeseFood, food processing & cookwarePMC12470128 , PMC12248438
CEDs01195YogurtFood, food processing & cookwarePMC12345998 , PMC10106739
CEDs01196Fermented MilkFood, food processing & cookwarePMC11643662
CEDs01198HoneyFood, food processing & cookwarePMC6466162
CEDs01201DietsFood, food processing & cookwarePMC11851763
CEDs01211Food MatrixFood, food processing & cookwarePMC10963064 , PMC9021961
CEDs01222High-fat DietFood, food processing & cookwarePMC11404490
CEDs01226SeafoodFood, food processing & cookwarePMC11719698
CEDs01231WinesFood, food processing & cookwarePMC7285359
CEDs01233Dairy FoodsFood, food processing & cookwarePMC7708747
CEDs01244BeefFood, food processing & cookwarePMC12610265
CEDs01254Sugar CaneFood, food processing & cookwarePMC10297947 , PMC12291794
CEDs01256Rice HuskFood, food processing & cookwarePMC8398503
CEDs01267Egg YolkFood, food processing & cookwarePMC9189287
CEDs01269Fermented FoodsFood, food processing & cookwarePMC10963064 , PMC10722240
CEDs01298Food MatricesFood, food processing & cookwarePMC13257145
CEDs01302WineFood, food processing & cookwarePMC8625220 , PMC8625220
CEDs01311Tomato JuiceFood, food processing & cookwarePMC11268494
CEDs01313JuiceFood, food processing & cookwarePMC8261398
CEDs01328Tea LeavesFood, food processing & cookwarePMC8674441
CEDs01347Meat SamplesFood, food processing & cookwarePMC12293878
CEDs01348Rice StrawFood, food processing & cookwarePMC8398503
CEDs01350Fermented FoodFood, food processing & cookwarePMC6834149
CEDs01365Yogurt SamplesFood, food processing & cookwarePMC10106739
CEDs01373Goat MilkFood, food processing & cookwarePMC11364480 , PMC11643662
CEDs01400Sugarcane Bagasse HydrolysateFood, food processing & cookwarePMC4156441
CEDs01404Wheat StarchFood, food processing & cookwarePMC7601427
CEDs01406White WineFood, food processing & cookwarePMC4570315 , PMC10814861
CEDs01410SugarcaneFood, food processing & cookwarePMC7560413 , PMC7013413
CEDs01418Cheese SamplesFood, food processing & cookwarePMC12471494
CEDs01446Dairy MilkFood, food processing & cookwarePMC11364480
CEDs01501Camel MilkFood, food processing & cookwarePMC11364480 , PMC11364480
CEDs01507Spent Coffee GroundsFood, food processing & cookwarePMC7235315
CEDs01529Sugarcane JuiceFood, food processing & cookwarePMC6902291 , PMC6902291
CEDs01530Fermented BeveragesFood, food processing & cookwarePMC13282555
CEDs01588Fermented VegetablesFood, food processing & cookwarePMC12939561
CEDs01603Food IngredientsFood, food processing & cookwarePMC12385386
CEDs01605Fermented Milk ProductsFood, food processing & cookwarePMC10106739 , PMC12591359
CEDs01621Muscle FoodsFood, food processing & cookwarePMC5018507
CEDs01745Sour MilkFood, food processing & cookwarePMC11268494
CEDs01778Kombucha TeaFood, food processing & cookwarePMC12127459 , PMC12127459
CEDs01851Packaging FilmPackagingPMC11640364
CEDs01879ResinIndustrial manufacturing & chemical processingPMC7601498 , PMC7601498
CEDs01886PlasticIndustrial manufacturing & chemical processingPMC8985596
CEDs01904BioplasticsIndustrial manufacturing & chemical processingPMC12385386
CEDs01944Biodegradable PlasticsIndustrial manufacturing & chemical processingPMC9082994
CEDs02001Agro-industrial ResiduesIndustrial manufacturing & chemical processingPMC7566098 , PMC7566098
CEDs02081Waste StreamWaste management, landfill & incinerationPMC11060974
CEDs02084Agro-industrial WastesWaste management, landfill & incinerationPMC10488812 , PMC8971590
CEDs02088Food WasteWaste management, landfill & incinerationPMC10963064 , PMC8995184
CEDs02095Organic WasteWaste management, landfill & incinerationPMC7566098
CEDs02099Agro-industrial WasteWaste management, landfill & incinerationPMC8305213
CEDs02106Municipal Solid WasteWaste management, landfill & incinerationPMC8947955
CEDs02115Agricultural WastesWaste management, landfill & incinerationPMC7402369
CEDs02134Lignocellulosic WasteWaste management, landfill & incinerationPMC12214969
CEDs02138Citrus WastesWaste management, landfill & incinerationPMC6915388 , PMC6915388
CEDs02159Bread WasteWaste management, landfill & incinerationPMC13044319
CEDs02165Agro-wastesWaste management, landfill & incinerationPMC7285292
CEDs02215DumpsiteWaste management, landfill & incinerationPMC8276721
CEDs02255WaterAquatic systems & sedimentsPMC13223874 , PMC11801611
CEDs02261Sea WaterAquatic systems & sedimentsPMC8517975 , PMC8517975
CEDs02264SedimentAquatic systems & sedimentsPMC9669010
CEDs02285AquiferAquatic systems & sedimentsPMC9669010
CEDs02346Bottom SedimentsAquatic systems & sedimentsPMC6783557
CEDs02404Blood StreamAquatic systems & sedimentsPMC12024371
CEDs02425Sediment LayerAquatic systems & sedimentsPMC9859558
CEDs02450Sediment CoreAquatic systems & sedimentsPMC9859558 , PMC9859558
CEDs02453Open SeaAquatic systems & sedimentsPMC8517975
CEDs02459Artificial SeawaterAquatic systems & sedimentsPMC8517975
CEDs02589AirAir, dust & atmospheric transportPMC8136843
CEDs02766Bone CementBuilding & ConstructionPMC11344196
CEDs02835Sandcrete BricksBuilding & ConstructionPMC12085682 , PMC12085682
CEDs02845CosmeticsPersonal care & cosmeticsPMC9605453 , PMC9739764
CEDs02847Personal Care ProductsPersonal care & cosmeticsPMC5385174 , PMC9686847
CEDs02856Cosmetic FormulationsPersonal care & cosmeticsPMC11364480
CEDs02969FuelEnergy, oil & gasPMC10534917
CEDs02977BiodieselEnergy, oil & gasPMC10534917
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC6064867
CEDs03115Anaerobic SludgeWastewater, sanitation & biosolidsPMC11232001
CEDs03203TextileTextiles, leather & furnishingsPMC9605453
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Albumin structureClick to view 3D structureAlbuminP02768HumansKnownNot Available
Cytochrome P450 2C8 structureClick to view 3D structureCytochrome P450 2C8P10632HumansKnownNot Available
Click to view 3D structureCytochrome P450 2J2P51589HumansKnownNot Available
Glycerol uptake facilitator protein structureClick to view 3D structureGlycerol uptake facilitator proteinP0AER0Escherichia coli (strain K12)KnownNot Available
Tyrosinase structureClick to view 3D structureTyrosinaseP14679HumansKnownNot Available
Cytochrome c structureClick to view 3D structureCytochrome cP99999HumansKnownNot Available
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP04825Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.308
Statistical Significance
1.10e-04
Supporting Reference Compounds
1
E-value
0.856341
Click to view 3D structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.3
Statistical Significance
3.40e-04
Supporting Reference Compounds
2
E-value
2.64687
3-isopropylmalate dehydrogenase structureClick to view 3D structure3-isopropylmalate dehydrogenaseQ5SIY4Thermus thermophilusPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.292 Low confidence
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.333
Statistical Significance
0.0157
Supporting Reference Compounds
136
E-value
122.301
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.333
Statistical Significance
0.0256
Supporting Reference Compounds
201
E-value
199.45
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.333
Statistical Significance
0.012
Supporting Reference Compounds
106
E-value
93.1077
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansKnownNot Available
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P39086HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.364
Statistical Significance
7.10e-04
Supporting Reference Compounds
31
E-value
5.52729
Glutamine synthetase structureClick to view 3D structureGlutamine synthetaseP0A9C5Escherichia coli K-12Predicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.276 Low confidence
Statistical Significance
5.20e-04
Supporting Reference Compounds
1
E-value
4.04816
Click to view 3D structureS-methylmethionine--homocysteine S-methyltransferase BHMT2Q9H2M3HumansPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.276 Low confidence
Statistical Significance
4.70e-04
Supporting Reference Compounds
1
E-value
3.65891
Metabotropic glutamate receptor 2 structureClick to view 3D structureMetabotropic glutamate receptor 2Q14416HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.364
Statistical Significance
0.0069
Supporting Reference Compounds
85
E-value
53.6381
Click to view 3D structureProstaglandin G/H synthase 2P79208Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.333
Statistical Significance
0.0063
Supporting Reference Compounds
50
E-value
49.1229
D-alanyl-D-alanine dipeptidase structureClick to view 3D structureD-alanyl-D-alanine dipeptidaseQ06241Enterococcus faeciumPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.308
Statistical Significance
1.50e-04
Supporting Reference Compounds
2
E-value
1.16774
Click to view 3D structureMetabotropic glutamate receptor 2P31421Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0078
Supporting Reference Compounds
53
E-value
61.1116
Metabotropic glutamate receptor 3 structureClick to view 3D structureMetabotropic glutamate receptor 3P31422Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0038
Supporting Reference Compounds
39
E-value
29.5049
Click to view 3D structureMetabotropic glutamate receptor 6O15303HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.364
Statistical Significance
0.0031
Supporting Reference Compounds
39
E-value
24.3668
Excitatory amino acid transporter 3 structureClick to view 3D structureExcitatory amino acid transporter 3P43005HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.364
Statistical Significance
0.0031
Supporting Reference Compounds
13
E-value
23.8997
Succinyl-diaminopimelate desuccinylase structureClick to view 3D structureSuccinyl-diaminopimelate desuccinylaseP44514Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)Predicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.318
Statistical Significance
2.30e-04
Supporting Reference Compounds
2
E-value
1.79053
Click to view 3D structureMetabotropic glutamate receptor 6P35349Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0022
Supporting Reference Compounds
24
E-value
16.9711
Metabotropic glutamate receptor 1 structureClick to view 3D structureMetabotropic glutamate receptor 1Q13255HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.364
Statistical Significance
0.0081
Supporting Reference Compounds
68
E-value
62.9022
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.333
Statistical Significance
0.0327
Supporting Reference Compounds
57
E-value
254.956
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P22756Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.364
Statistical Significance
0.0025
Supporting Reference Compounds
45
E-value
19.1509
Glutamate receptor ionotropic, kainate 3 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 3P42264Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.364
Statistical Significance
0.002
Supporting Reference Compounds
26
E-value
15.5698
Glutamate receptor ionotropic, kainate 2 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 2P42260Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.364
Statistical Significance
7.50e-04
Supporting Reference Compounds
18
E-value
5.83869
Glutamate transporter homolog structureClick to view 3D structureGlutamate transporter homologO59010Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3)Predicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.286 Low confidence
Statistical Significance
7.70e-04
Supporting Reference Compounds
3
E-value
5.99439
Metabotropic glutamate receptor 1 structureClick to view 3D structureMetabotropic glutamate receptor 1P23385Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0117
Supporting Reference Compounds
45
E-value
91.4728
Concentrations
Not Available
External Links
DrugBank IDDB04398
HMDB IDHMDB0144295
FooDB IDFDB005406
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkLactic acid
Chemspider IDNot Available
ChEBI ID78320
PubChem Compound ID612
Kegg Compound IDC01432
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available