Mefenamic acid (CED0004540)

Record Information
Version1.0
Creation Date2016-05-22 03:42:56 UTC
Update Date2026-08-19 10:06:14 UTC
SynCED IDCED0004540
Secondary Accession Numbers
  • CHEM016762
Identification
Common NameMefenamic acid
ClassSmall Molecule
Description
Mefenamic acid is an organic compound with the formula C15H15NO2 and an average molecular weight of 241.29 g/mol. Mefenamic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is classified under the superclass of benzenoids. The compound acts as an inhibitor of two recorded protein targets: Prostaglandin G/H synthase 1 (PTGS1) and Prostaglandin G/H synthase 2 (PTGS2). Its primary use is found within healthcare, pharmaceuticals, and veterinary products as part of antiinflammatory and antirheumatic products. The recorded route of exposure for this compound is oral. Mefenamic acid has been identified in or released from 20 recorded sources across several categories. Within the realm of electrical and electronic equipment, it is associated with antennas, amplifiers, electric hearing aids, electrically stimulated smoking devices, conductors or conductive bodies characterised by the conductive materials, and six additional sources. In the category of household cleaning and consumer products, it is found in perfumes within detergents and soaps, pipe accessories, tobacco smoke filters, other smoking requisites, and non electric simulated smoking devices. Further sources include floors in building and construction, food preservation in food, food processing and cookware, and drinking water within drinking water and water supply systems.
Contaminant Type
  • Human Neurotoxin
Chemical Structure
Synonyms
ValueSource
Acide mefenamiqueChEBI
Acido mefenamicoChEBI
Acidum mefenamicumChEBI
CI-473ChEBI
CN 35355ChEBI
CN-35355ChEBI
INF 3355ChEBI
INF-3355ChEBI
MefenaminsaeureChEBI
N-(2,3-Xylyl)-2-aminobenzoic acidChEBI
N-2,3-Xylylanthranilic acidChEBI
PonstelChEBI
N-(2,3-Xylyl)-2-aminobenzoateGenerator
N-2,3-XylylanthranilateGenerator
MefenamateGenerator
Mefanamic acidHMDB
MefenacidHMDB
Mephenamic acidHMDB
Mephenaminic acidHMDB
Methenamic acidHMDB
Acid, mefenaminicHMDB
Antigen brand OF mefenamic acidHMDB
Apo-mefenamicHMDB
Ashbourne brand OF mefenamic acidHMDB
CoslanHMDB
Forte, ponstanHMDB
MefacitHMDB
MeficHMDB
Nu-mefenamicHMDB
PMS-Mefenamic acidHMDB
Pfizer brand OF mefenamic acidHMDB
Pinewood brand OF mefenamic acidHMDB
PonalarHMDB
APS brand OF mefenamic acidHMDB
Apo mefenamicHMDB
Apotex brand OF mefenamic acidHMDB
DysmanHMDB
First horizon brand OF mefenamic acidHMDB
Gödecke brand OF mefenamic acidHMDB
Mefenaminic acidHMDB
NuMefenamicHMDB
PMS Mefenamic acidHMDB
PonalgicHMDB
Warner-lambert brand OF mefenamic acidHMDB
Chemidex brand OF mefenamic acidHMDB
ContraflamHMDB
Elan brand OF mefenamic acidHMDB
Farmasierra brand OF mefenamic acidHMDB
Nu-pharm brand OF mefenamic acidHMDB
Parke davis brand OF mefenamic acidHMDB
ParkemedHMDB
PinalgesicHMDB
PonmelHMDB
PontalHMDB
Rowa brand OF mefenamic acidHMDB
Acid, mefenamicHMDB
ApoMefenamicHMDB
Clonmel brand OF mefenamic acidHMDB
MefacHMDB
Nu mefenamicHMDB
Nu pharm brand OF mefenamic acidHMDB
Pharmascience brand OF mefenamic acidHMDB
PonstanHMDB
Ponstan forteHMDB
PonsylHMDB
Warner lambert brand OF mefenamic acidHMDB
Chemical FormulaC15H15NO2
Average Molecular Mass241.285 g/mol
Monoisotopic Mass241.110 g/mol
CAS Registry Number61-68-7
IUPAC Name2-[(2,3-dimethylphenyl)amino]benzoic acid
Traditional Namemefenamic acid
SMILESCC1=C(C)C(NC2=CC=CC=C2C(O)=O)=CC=C1
InChI IdentifierInChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChI KeyHYYBABOKPJLUIN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentAminobenzoic acids
Alternative Parents
Substituents
  • Aminobenzoic acid
  • Benzoic acid
  • Benzoyl
  • Aniline or substituted anilines
  • Xylene
  • O-xylene
  • Vinylogous amide
  • Amino acid
  • Amino acid or derivatives
  • Secondary amine
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic 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 EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.014 g/LALOGPS
logP4.58ALOGPS
logP5.4ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)3.89ChemAxon
pKa (Strongest Basic)-1.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area49.33 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity71.88 m³·mol⁻¹ChemAxon
Polarizability26.22 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00fv-0970000000-ac788fb2c3de77e0c447Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0fdn-1190000000-766d0be9c0eb20d0bbe3Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-02t9-0900000000-97aeacf66e8410c23139Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-e81bfb47482e34427f9dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0090000000-c35efe26003cb812152aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-0960000000-902cd19e4e1d6d83389bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-36a2c798555c3d7096f2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-0aaa97d98cb6e792e5daNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-0900000000-8550ea073cfe0222a6ccNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-2900000000-fc439b80f6648ed94d76Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0090000000-be477416d623ed244bdbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-0960000000-414fb8a03460842ef79aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-0acd19e33bc790381da7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-c2637ad61718ba056356Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-0900000000-cf0ec9e01efae551956cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-1900000000-e53da7b0c2cd925ff45fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-6d3e988a836ba090f290Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0090000000-9e70a08d5d730c15aa69Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-0950000000-a6ebc54abcd1d821d31eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-58bf82bda5da2fed93ccNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-0900000000-f699cc613c8f7da1d256Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-3900000000-86af1c13a0381dd04e17Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0190000000-ecb78baad04fc2f4355cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0930000000-0a152876555200d131b8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-aba2be8411ff7386275cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-ac95f80f5af8cd4cf117Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-0940000000-4113d0740f35e76f2ef6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-0090000000-db87114292c560ed2e52Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-32d4f9a01377ca15fd68Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fr-0090000000-7faf1c288c838bc4a5daNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0290000000-d0d29acc835fac894358Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-053r-0950000000-1dfdc98a6ce819e1b45cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-485704bd58d04b652429Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-0090000000-b36ba086dbc7808ce7b4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-64e74fe61d57cf454499Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-d99f36b9b37ad8b5f347Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-6059a0c5fd606fd95762Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0190000000-e3e4066b0c9dee521863Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a59-0590000000-21ef2913dd162c4c0e76Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-0090000000-5a1c44509aa114a5d978Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-33608cca6c41790ea955Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-ad559fa5a64b1e302e21Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-25fb2fbc92a9991d211dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0190000000-b0038b9b3106f617c0adNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a59-0590000000-275c39ed3a3112547312Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-24acd06c5a077a346741Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-c7603994df1966ee96ddNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-353273fcd3979749e8f6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0290000000-a11afbd475c970348c66Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-f2ca32c0928bd17bd214Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-55e1b157a860f450ceddNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-0090000000-c2b5392823249597db3cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-57351977917ca6084bc3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0190000000-e584894bf2d4649f7af3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-053r-0960000000-4989f46132493ca56669Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0910000000-6c544c83832b76f09f1cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0190000000-39925554c1603783e315Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0190000000-e40c01ca726c562c76caNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ac0-2790000000-91f5d0bd861b4773414cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-6dbfa8810502239d9e5dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fr-0090000000-dbada548d40fb6830eb0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-d53ff9dd6fecef1eda40Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-3c95c9aaffb505468101Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-9e009b7517a3b8e60cd8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a59-0790000000-659047cd9ac5f6873527Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0290000000-6e8a93087b11ed5e923bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0290000000-151184c8b3b52342c5d2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-0960000000-3475de1f0a5a320d3bedNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-a3368682320f419ed84cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0190000000-a9e18659677b84c74c01Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-053r-0960000000-4989f46132493ca56669Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0930000000-0a152876555200d131b8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0910000000-6c544c83832b76f09f1cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0190000000-ecb78baad04fc2f4355cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-f2ca32c0928bd17bd214Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-a3e489a77ae28e02a8afNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-0960000000-902cd19e4e1d6d83389bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-aba2be8411ff7386275cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-ac95f80f5af8cd4cf117Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-9be294c0effab6b3d15eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-057bb31f36b64070b5b4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-2a061c96da7242d4286cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-0940000000-4113d0740f35e76f2ef6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-485704bd58d04b652429Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a59-0490000000-5cf81e501ae1754730c2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0090000000-c35efe26003cb812152aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fr-0090000000-7faf1c288c838bc4a5daNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-501454627e43d0525027Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-0960000000-414fb8a03460842ef79aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0090000000-be477416d623ed244bdbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0290000000-d0d29acc835fac894358Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-0900000000-8550ea073cfe0222a6ccNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-b0c769b6da6ec3b3ad75Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-0090000000-062f5ab4506a41cdd40eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-0090000000-b36ba086dbc7808ce7b4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0190000000-0ef01063cb9101a480eeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-0aaa97d98cb6e792e5daNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-32d4f9a01377ca15fd68Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-2900000000-fc439b80f6648ed94d76Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-0090000000-db87114292c560ed2e52Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-afd7725b49c2b36b5352Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0190000000-bbbe69a3297f542b0becNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-29cb87abb02abcf9e178Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-053r-0950000000-1dfdc98a6ce819e1b45cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-0900000000-cf0ec9e01efae551956cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-55e1b157a860f450ceddNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-0090000000-c2b5392823249597db3cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-c2637ad61718ba056356Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-595ea41dbed3686435b1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a59-0490000000-a25ea36c5df76f236857Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-c76ae2270e045d98e8c6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-1900000000-e53da7b0c2cd925ff45fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0190000000-e584894bf2d4649f7af3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-57351977917ca6084bc3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-1cd2e1f41c022d8f07b2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-9c675167b7b2b195bf2fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000y-0900000000-32a40af0985e3f36b521Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-3900000000-832c349f2271969f7756Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000y-0900000000-f7feee804e140edf01f3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-21918234a0a6ec9a9365Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000y-0900000000-e0cb5b6b432401e64cd6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-74e41bf430e2cd724961Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-0980000000-24bf48a74209a1c35b0bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0910000000-746176081166c16d3792Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-bb542e823c0967b3ab14Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-2c78e0cfb7d714ad0d73Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0390000000-126e782feabd9bc49b1cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0595-0950000000-3c37ad79df77f9854764Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-4910000000-e4322857bc9bd2c48dddNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0005-0970000000-a26d55ca757d99074377Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0910000000-f3ff4dc6f1dc1c7a0573Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000y-4900000000-26ffaf3603b933b04606Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dl-0090000000-b44f00bd5d3190c9c007Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0090000000-2f7a1a1ed3fa7a54b4e4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-1920000000-33d2234881d760984630Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0005-0960000000-3762337b70d8ff912d9fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0005-1910000000-add8e58ef96e4d42ed42Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-006x-2900000000-e9ecffe5bf15565cf828Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
835.0 Log mg/kg [470:1500]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
MenorrhagiaNot AvailableNot AvailableNot AvailablePMC11340200
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
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
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
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
CEDs000363Antiinflammatory and antirheumatic products?Anti-inflammatory and antirheumatic products are synthetic chemicals commonly used to alleviate pain, reduce inflammation, and manage conditions such as arthritis.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000483WWTP effluent?Wastewater treatment plant (WWTP) effluent can serve as a significant source of synthetic chemical contamination in the environment.Wastewater, sanitation & biosolidsPMC3819643
CEDs000484Activated sludge?Activated sludge refers to a mixture of microorganisms and organic matter used in the biological treatment of wastewater.Wastewater, sanitation & biosolidsPMC10492480
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
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
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
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
CEDs000516Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.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
CEDs000525Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.Electrical & Electronic EquipmentPubChem
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
CEDs000536Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines?Superconductive or hyperconductive conductors, including cables and transmission lines, are materials that exhibit zero electrical resistance under specific conditions, typically at low temperatures.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
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
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
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
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
CEDs000592Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.Marine, shipping & aquaculturePubChem
CEDs000595Ships?Ships, as vehicles for international trade and transportation, can be significant sources of synthetic chemical contamination in marine environments.Marine, shipping & aquaculturePubChem
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
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.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
CEDs000631Anthraquinone Dyes?Anthraquinone dyes are a class of synthetic organic compounds characterized by their vibrant colors and stability, making them widely used in various applications, particularly in coloring textiles and leather.Textiles, leather & furnishingsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
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
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
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
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
CEDs000717Fountain Pens?Fountain pens utilize a liquid ink that often contains synthetic chemicals, including dyes, pigments, and solvents, which can contribute to environmental contamination.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
CEDs000720Ink Reservoir Pens2?Ink reservoir pens are writing instruments that utilize a reservoir to store ink, which is often composed of synthetic dyes, solvents, and additives.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
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
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
CEDs01081TabletsHealthcare, pharmaceuticals & veterinary productsPMC10862686
CEDs01253Dietary SupplementsFood, food processing & cookwarePMC9818512
CEDs02268Water SamplesAquatic systems & sedimentsPMC5556110 , PMC6982722
CEDs02276Aquatic EnvironmentAquatic systems & sedimentsPMC8610363
CEDs03008Municipal WastewatersWastewater, sanitation & biosolidsPMC3819643
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC3819643 , PMC10441242
CEDs03014SewageWastewater, sanitation & biosolidsPMC10052509
CEDs03059Pharmaceutical WastewaterWastewater, sanitation & biosolidsPMC10053030
CEDs03079Secondary EffluentWastewater, sanitation & biosolidsPMC9599273
CEDs03122Wastewater TreatmentWastewater, sanitation & biosolidsPMC8610363
Pathways
3 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
UDP-glucuronosyltransferase 2B7 structureClick to view 3D structureUDP-glucuronosyltransferase 2B7P16662HumansKnownNot Available
Click to view 3D structureUDP-glucuronosyltransferase 1A9O60656HumansKnownNot Available
Cytochrome P450 2C8 structureClick to view 3D structureCytochrome P450 2C8P10632HumansKnownNot Available
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)
Prediction Confidence Score
0.665
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
57
E-value
0.0778492
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.624
Applicability Domain
1.0
Statistical Significance
2.00e-04
Supporting Reference Compounds
201
E-value
1.55698
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)
Prediction Confidence Score
0.622
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
40
E-value
0.155698
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.565
Applicability Domain
1.0
Statistical Significance
8.00e-05
Supporting Reference Compounds
136
E-value
0.622794
Aldo-keto reductase family 1 member C1 structureClick to view 3D structureAldo-keto reductase family 1 member C1Q04828HumansPredicted (SEA)
Prediction Confidence Score
0.504
Applicability Domain
1.0
Statistical Significance
7.00e-05
Supporting Reference Compounds
29
E-value
0.544945
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)
Prediction Confidence Score
0.504
Applicability Domain
1.0
Statistical Significance
2.30e-04
Supporting Reference Compounds
49
E-value
1.79053
Nicotinate phosphoribosyltransferase structureClick to view 3D structureNicotinate phosphoribosyltransferaseQ6XQN6HumansPredicted (SEA)
Prediction Confidence Score
0.502
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
12
E-value
0.0778492
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)
Prediction Confidence Score
0.462
Applicability Domain
0.714
Statistical Significance
8.00e-05
Supporting Reference Compounds
55
E-value
0.622794
Myeloperoxidase structureClick to view 3D structureMyeloperoxidaseP05164HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
1.0
Statistical Significance
3.90e-04
Supporting Reference Compounds
43
E-value
3.03612
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.416
Applicability Domain
0.537
Statistical Significance
9.00e-04
Supporting Reference Compounds
106
E-value
7.00643
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP04058Torpedo californicaPredicted (SEA)
Prediction Confidence Score
0.414
Applicability Domain
1.0
Statistical Significance
0.0012
Supporting Reference Compounds
30
E-value
9.41976
Mitogen-activated protein kinase 8 structureClick to view 3D structureMitogen-activated protein kinase 8P45983HumansPredicted (SEA)
Prediction Confidence Score
0.405
Applicability Domain
0.431
Statistical Significance
0.0132
Supporting Reference Compounds
782
E-value
102.917
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)
Prediction Confidence Score
0.395
Applicability Domain
0.431
Statistical Significance
0.0234
Supporting Reference Compounds
996
E-value
182.323
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.431
Statistical Significance
0.0248
Supporting Reference Compounds
1017
E-value
193.455
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.387
Applicability Domain
0.404
Statistical Significance
0.0032
Supporting Reference Compounds
127
E-value
24.9118
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)
Prediction Confidence Score
0.384
Applicability Domain
0.413
Statistical Significance
0.0199
Supporting Reference Compounds
967
E-value
154.998
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)
Prediction Confidence Score
0.384
Applicability Domain
0.413
Statistical Significance
0.0151
Supporting Reference Compounds
742
E-value
117.786
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)
Prediction Confidence Score
0.371
Applicability Domain
0.537
Statistical Significance
0.0227
Supporting Reference Compounds
763
E-value
176.796
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.407
Statistical Significance
0.0361
Supporting Reference Compounds
1157
E-value
281.425
cAMP-dependent protein kinase catalytic subunit alpha structureClick to view 3D structurecAMP-dependent protein kinase catalytic subunit alphaP17612HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.407
Statistical Significance
0.0221
Supporting Reference Compounds
735
E-value
172.125
Mitogen-activated protein kinase kinase kinase kinase 4 structureClick to view 3D structureMitogen-activated protein kinase kinase kinase kinase 4O95819HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.407
Statistical Significance
0.0233
Supporting Reference Compounds
714
E-value
181.077
Rho-associated protein kinase 2 structureClick to view 3D structureRho-associated protein kinase 2O75116HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.407
Statistical Significance
0.026
Supporting Reference Compounds
811
E-value
202.097
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.407
Statistical Significance
0.0312
Supporting Reference Compounds
1029
E-value
242.812
Homeodomain-interacting protein kinase 2 structureClick to view 3D structureHomeodomain-interacting protein kinase 2Q9H2X6HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.407
Statistical Significance
0.0149
Supporting Reference Compounds
505
E-value
116.385
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.576
Statistical Significance
0.0095
Supporting Reference Compounds
332
E-value
74.2682
Concentrations
StatusValueUnitSample LocationReference
Detected and Quantified330ng/LBioggio,Lugano
Detected and Quantified1400ng/LBussigny-prés-Lausanne
Detected and Quantified1200ng/LHallau,Klettgau
Detected and Quantified210ng/LThal,Altenrhein
Detected and Quantified400ng/LUetendorf,Thun
Detected and Quantified660ng/LVernier,Aïre
Detected and Quantified96ng/LWinterthur
Detected and Quantified260ng/LWerdhölzli,Zürich
Detected and Quantified85ng/LSchönau,Zug
Detected and Quantified42ng/LAffoltern,Zwillikon
External Links
DrugBank IDDB00784
HMDB IDHMDB0014922
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDID8
Wikipedia LinkMefenamic_acid
Chemspider ID3904
ChEBI ID6717
PubChem Compound ID4044
Kegg Compound IDC02168
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available