L-ASPARTIC ACID (CED0000847)

Record Information
Version1.0
Creation Date2016-05-19 01:54:47 UTC
Update Date2026-05-14 16:24:08 UTC
SynCED IDCED0000847
Secondary Accession Numbers
  • CHEM004784
Identification
Common NameL-ASPARTIC ACID
ClassSmall Molecule
Description
L-ASPARTIC ACID (C4H7NO4) is a compound with an average molecular weight of 133.10 g/mol. L-ASPARTIC ACID belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. Biologically, it functions as an amino acid (PMC13055497 ), a ligand (PMC6760909 ), and an inhibitor (PMC10177761 ). In industrial applications, it is utilized as an additive (PMC10177761 ), a flavouring and nutrient (PMC10177761 ), and a corrosion inhibitor (PMC12348504 ). The compound is found in or released from 27 recorded sources. These include household cleaning and consumer products such as soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and non electric simulated smoking devices. It is also associated with food, food processing and cookware, including the preparation of malt, vinegar, wine or sparkling wine, food preservation, and fermentation processes for beer. Additionally, it is found in electrical and electronic equipment, such as antennas, adjustable resistors, electric hearing aids, electric switches, and conductors or conductive bodies characterised by the conductive materials. L-ASPARTIC ACID interacts with 21 recorded protein targets, acting as an agonist/substrate of the mitochondrial electrogenic aspartate/glutamate antiporter SLC25A13, as well as interacting with aspartoacylase (ASPA), cytoplasmic aspartate aminotransferase (GOT1), asparagine synthetase [glutamine-hydrolyzing] (ASNS), and 17 other proteins. Regarding health effects, the compound is a biomarker of salivation (PMC11985778 ) and is associated with inflammation (PMC13279942 ) and depression (PMC11325088 ).
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
(S)-2-Aminobutanedioic acidChEBI
(S)-2-Aminosuccinic acidChEBI
2-Aminosuccinic acidChEBI
AspChEBI
ASPARTIC ACIDChEBI
DChEBI
L-AsparaginsaeureChEBI
L-AspKegg
(S)-2-AminobutanedioateGenerator
(S)-2-AminosuccinateGenerator
2-AminosuccinateGenerator
ASPARTateGenerator
L-AspartateGenerator
(+)-AspartateHMDB
(+)-Aspartic acidHMDB
(2S)-AspartateHMDB
(2S)-Aspartic acidHMDB
(L)-AspartateHMDB
(L)-Aspartic acidHMDB
(R)-2-AminosuccinateHMDB
(S)-(+)-AspartateHMDB
(S)-(+)-Aspartic acidHMDB
(S)-Amino-butanedioateHMDB
(S)-Amino-butanedioic acidHMDB
(S)-AminobutanedioateHMDB
(S)-Aminobutanedioic acidHMDB
(S)-AspartateHMDB
(S)-Aspartic acidHMDB
2-Amino-3-methylsuccinateHMDB
2-Amino-3-methylsuccinic acidHMDB
alpha-AminosuccinateHMDB
alpha-Aminosuccinic acidHMDB
AminosuccinateHMDB
AsparagateHMDB
Asparagic acidHMDB
AsparaginateHMDB
Asparaginic acidHMDB
AsparatateHMDB
H-Asp-OHHMDB
L-(+)-AspartateHMDB
L-(+)-Aspartic acidHMDB
L-AminosuccinateHMDB
L-Aminosuccinic acidHMDB
L-AsparagateHMDB
L-Asparagic acidHMDB
L-AsparaginateHMDB
L-Asparaginic acidHMDB
(+-)-Aspartic acidHMDB
(R,S)-Aspartic acidHMDB
Aspartate, disodiumHMDB
Aspartate, magnesiumHMDB
Aspartate, monopotassiumHMDB
Aspartic acid, dipotassium saltHMDB
Aspartic acid, hydrobromideHMDB
Aspartic acid, monopotassium saltHMDB
Aspartic acid, monosodium saltHMDB
Aspartic acid, potassium saltHMDB
L AspartateHMDB
MG5LongoralHMDB
Potassium aspartateHMDB
PolysuccinimideHMDB
Ammonium aspartateHMDB
Aspartate, ammoniumHMDB
Aspartate, calciumHMDB
Aspartate, monosodiumHMDB
Aspartic acid, calcium saltHMDB
Aspartic acid, disodium saltHMDB
Aspartic acid, magnesium (1:1) salt, hydrochloride, trihydrateHMDB
Dipotassium aspartateHMDB
Disodium aspartateHMDB
Hydrochloride, aspartate magnesiumHMDB
Monopotassium aspartateHMDB
Sodium aspartateHMDB
Aspartate, dipotassiumHMDB
Aspartic acid, magnesium (2:1) saltHMDB
Aspartic acid, sodium saltHMDB
Hydrobromide aspartic acidHMDB
Magnesium aspartateHMDB
MG 5 LongoralHMDB
Monosodium aspartateHMDB
Aspartate magnesium hydrochlorideHMDB
Aspartate, potassiumHMDB
Aspartate, sodiumHMDB
Aspartic acid, ammonium saltHMDB
Aspartic acid, hydrochlorideHMDB
Aspartic acid, magnesium-potassium (2:1:2) saltHMDB
Calcium aspartateHMDB
Hydrochloride aspartic acidHMDB
L Aspartic acidHMDB
MagnesiocardHMDB
MG-5-LongoralHMDB
Poly-DL-succinimideHMDB
Chemical FormulaC4H7NO4
Average Molecular Mass133.103 g/mol
Monoisotopic Mass133.038 g/mol
CAS Registry Number56-84-8
IUPAC Name(2S)-2-aminobutanedioic acid
Traditional NameL-aspartic acid
SMILESN[C@@H](CC(O)=O)C(O)=O
InChI IdentifierInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChI KeyCKLJMWTZIZZHCS-REOHCLBHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAspartic acid and derivatives
Alternative Parents
Substituents
  • Aspartic acid or derivatives
  • Alpha-amino acid
  • L-alpha-amino acid
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Amino acid
  • Carboxylic acid
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Amine
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • 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
  • salt taste ?
  • sweet taste ?
  • sour taste ?
  • umami taste ?
  • beefy taste ?
  • brothy taste ?
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility142 g/LALOGPS
logP-3.5ALOGPS
logP-3.5ChemAxon
logS0.03ALOGPS
pKa (Strongest Acidic)1.7ChemAxon
pKa (Strongest Basic)9.61ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area100.62 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity26.53 m³·mol⁻¹ChemAxon
Polarizability11.28 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 Spectrumsplash10-0f89-0960000000-5a6a6cb21e9fc0875f84Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0f89-0950000000-51399a8446c394459765Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0f89-0950000000-f07e7f52b3c31fd119f5Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0f89-0950000000-9e175dfa17a8b17a72d2Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0f89-0950000000-f4475587d5a3b20bfc58Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00di-9430000000-0cac9a97e698db1672b5Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-03yi-1900000000-ea61b8526ee02ae79b66Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0f89-1890000000-7da576c8129142b71a1bNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0pb9-0981000000-ad23d55e348f55115f00Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-001i-0590000000-13cc5a7841854e97f68bNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0f89-0960000000-5a6a6cb21e9fc0875f84Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0f89-0950000000-51399a8446c394459765Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0f89-0950000000-f07e7f52b3c31fd119f5Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0f89-0950000000-9e175dfa17a8b17a72d2Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0f89-0950000000-f4475587d5a3b20bfc58Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0g4i-6946100000-0ae49e3be0f2f1f92065Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00di-9430000000-0cac9a97e698db1672b5Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-03yi-1900000000-ea61b8526ee02ae79b66Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0f89-1890000000-7da576c8129142b71a1bNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0pb9-0981000000-ad23d55e348f55115f00Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-000f-9100000000-b7db3377089f4c95001bNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-01w4-9610000000-0f1463c6395830708e12Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-9300000000-92f9914d94078d96f5cfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-c467d10f2b7e21ed1734Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-9000000000-87f0c58226f5a2f3ac8aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-fde7ef1951fddff4b817Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uk9-8900000000-2d7e5609618437e59272Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-4b43567f4a446aed0828Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-4900000000-45382d9abd25be948e5bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-3f39a9b758e282358ac0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-3900000000-44d361ad09ff9a30dd14Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-18e1dba62e6b803e17b8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0930000000-d97f9518a2d516d830c5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-02ai-0962100000-909bb894b2c1318afee4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-f2059dd438fcf62f62e1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dr-7900000000-8b7b89ed34530e331024Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0190000000-58a78949f4b93de22aabNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0921000000-214b6b969fdc4216ca71Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dr-6900000000-4918748927dd097d2879Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-88dc2f1093f261e76201Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0290000000-a8856f56645a2961baacNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-8cf9870557ca9adc3374Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9400000000-81b2804a712625a2d9c4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-9bf77ba12ad952f84ac0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-e08bfb96c5fd8c9b9db7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-876e30f6c9ed061091feNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-9000000000-6c0d44d4e3853e5701a3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-95ddfd41454f63de9b05Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-836341c418f94179fa14Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00lr-3900000000-ee3d722db4f8e0e1b9d3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-93fc8f80fb44ca0b910dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-90c9c5c165a18a64dbb3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-8cf9870557ca9adc3374Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9400000000-8769e48d9bcd1478d135Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-9bf77ba12ad952f84ac0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-ef4738829a28310574c5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-876e30f6c9ed061091feNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-f2059dd438fcf62f62e1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dr-7900000000-8b7b89ed34530e331024Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dr-6900000000-4918748927dd097d2879Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-88dc2f1093f261e76201Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-9000000000-6c0d44d4e3853e5701a3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-fb577022eba9d463f932Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-836341c418f94179fa14Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00lr-3900000000-3e388b41b4cd2130e962Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-93fc8f80fb44ca0b910dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-4b43567f4a446aed0828Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-4900000000-45382d9abd25be948e5bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-3900000000-44d361ad09ff9a30dd14Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-19ad1bbe90bf8e92c5c1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-debe7f91a6c97f8fafd8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-9000000000-09fe744a377b5271f01dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-9000000000-e8dc93396739130c32cdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-f4ad58a4a72713272997Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-8ad050a2eadc6edd3f44Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-37db5ee456c0b377bb1dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-b52b99f6e95b62b9f3e0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002f-9000000000-975fd8c2b7cae94fb381Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-9000000000-b469e9c058e0e4492912Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-deeec41deff7a8bdd699Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9300000000-5e5c7e429cccc2b1bd37Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-5346e771cd3c1ca98c1bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-68c4cb32fc0a1b44b882Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-3177ee843d31257c5cdfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-9000000000-b946e1f6bf02fa337f3dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-9000000000-f89304e242eff4e75bfcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-83cffe97097031cd7be8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00du-9000000000-35035b5966a3229dfc3cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00lr-0900000000-2badabd66d2235a65bebNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9600000000-ad0b93f9c8dcb4b99d8aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9200000000-1215ac89b1a44f7acc79Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-9100000000-6f791c0adbbc5ba1ec56Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-82837d9a25a79e6071fdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-5e76a86f089c9f0c66e6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01c9-9700000000-43373fabf1f2a8251ac8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9000000000-36b20174fd207db22998Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-d6951a2ec44739673310Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-5900000000-b11760c7c2cfa2af3c7eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0019-9500000000-7269dcfd86ec82641ed9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05g3-9000000000-4403e122d1d449aace05Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9100000000-0ac0dd6913d2586f7973Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9000000000-75d22f21955bd28b7dcbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-fb1c4f0680fc2dac53c7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01p9-6900000000-10cf89ab499e02e19a92Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0079-9000000000-fe190327aa4e06a02a41Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-006x-9000000000-fe92c9aa9f1f1fb64042Not AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, H2O, experimental)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
6196.0 Log mg/kg [3500:11000]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
inflammationAssociated With?Not AvailableNot AvailablePMC13279942
breast cancerAssociated With?increaseA breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)PMC12382045
anemiaHas Therapeutic Effect OnNot AvailableA disorder characterized by a reduction in the amount of hemoglobin in 100 ml of blood. Signs and symptoms of anemia may include pallor of the skin and mucous membranes, shortness of breath, palpitations of the heart, soft systolic murmurs, lethargy, and fatigability. (NCI CTCAE)PMC4113773
type 2 diabetes mellitusHas Therapeutic Effect OnNot AvailableNot AvailablePMC4870572 , PMC4870572
fatigueHas Therapeutic Effect OnNot AvailableA disorder characterized by a state of generalized weakness with a pronounced inability to summon sufficient energy to accomplish daily activities. (NCI CTCAE)PMC8471810
congestive heart failureDecreased in Blood IndecreaseA heart disease that is characterized by any structural or functional cardiac disorder that impairs the ability of the heart to fill with or pump a sufficient amount of blood throughout the body. (DO)PMC13055497
leukemiaNot AvailableNot AvailableA cancer that affects the blood or bone marrow characterized by an abnormal proliferation of blood cells. (DO)PMC11314107
depressionAssociated With?Not AvailableNot AvailablePMC11325088
hyperglycemiaHas Therapeutic Effect OnNot AvailableA disorder characterized by laboratory test results that indicate an elevation in the concentration of blood sugar. It is usually an indication of diabetes mellitus or glucose intolerance. (NCI CTCAE)PMC4870572
skin cancerNot AvailableNot AvailableNot AvailablePMC8471810 , PMC8471810
Parkinson's diseaseIs Biomarker OfNot AvailableA long-term degenerative disorder of the central nervous system that mainly affects the motor system. The symptoms generally come on slowly over time.PMC10026263
EndometriosisAssociated With?decreaseEndometriosis is a condition that affects women in which cells similar to those in the endometrium, the layer of tissue that normally covers the inside of the uterus, grow outside the uterus (mainly in the ovaries and fallopian tubes). The main symptoms are pelvic pain and infertility, although 20-25% of women are asymptomatic. Pain during sexual intercourse is also common. Other symptoms include diarrhea or constipation, chronic fatigue, nausea and vomiting, headaches, low-grade fevers, heavy and/or irregular periods, and hypoglycemia. Endometriosis is a common condition. About 6–10% of women are affected. Endometriosis is most common in those in their thirties and forties; however, it can begin in girls as early as eight years old.PMC11978680
cerebrovascular diseaseAssociated With?increaseNot AvailablePMC11205552
salivationIs Biomarker OfNot AvailableNot AvailablePMC11985778
steatotic liver diseaseHas Therapeutic Effect OnNot AvailableNot AvailablePMC4870572
proliferative diabetic retinopathyIs Biomarker OfNot AvailableNot AvailablePMC10026263
Abnormality of mitochondrial metabolismAssociated With?Not AvailableNot AvailablePMC13279942
Oxidative StressHas Therapeutic Effect OnNot AvailableNot AvailablePMC4870572
SepsisDecreased in Blood IndecreaseNot AvailablePMC12720921
nervous system disorderHas Therapeutic Effect OnNot AvailableNot AvailablePMC9589430
metabolic dysfunction-associated steatohepatitisElevated in Blood InincreaseNot AvailablePMC13411846
depressive disorderAssociated With?Not AvailableNot AvailablePMC11325088
autistic disorderAssociated With?Not AvailableNot AvailablePMC3806213
hyperlipidemiaAssociated With?Not AvailableNot AvailablePMC12109552
fatty liver diseaseHas Therapeutic Effect OnNot AvailableNot AvailablePMC4870572
ImmunosenescenceHas Therapeutic Effect OnNot AvailableNot AvailablePMC4113773
Lacunar strokeAssociated With?increaseNot AvailablePMC12708115
Lacunar strokeAssociated With?inverseNot AvailablePMC12708115
Lacunar strokeAssociated With?Not AvailableNot AvailablePMC12708115
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000013Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.Agriculture & land managementPMC6315534
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
CEDs000484Activated sludge?Activated sludge refers to a mixture of microorganisms and organic matter used in the biological treatment of wastewater.Wastewater, sanitation & biosolidsPMC9317870
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
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
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000520Emergency Protective Devices?Emergency protective devices, such as circuit breakers and surge protectors, are essential components in electrical systems designed to prevent damage from overcurrent and surges.Electrical & Electronic EquipmentPubChem
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.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
CEDs000531Relays?Relays are electromechanical switches used to control circuits and manage electrical loads.Electrical & Electronic EquipmentPubChem
CEDs000534Still Video Cameras?Still video cameras, which capture images in digital format, can be a source of synthetic chemical contamination due to the materials and components used in their production and operation.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
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
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
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
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
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
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
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.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
CEDs000607Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.Agriculture & land managementPubChem
CEDs000608Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.Agriculture & land managementPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
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
CEDs000638Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.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
CEDs000652Ropes?Ropes manufactured from synthetic fibers, such as polypropylene, nylon, and polyester, are widely used in various applications, including marine, construction, and outdoor activities.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
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
CEDs000668Non-PFAS Fire Fighting Foam?Non-PFAS fire fighting foam refers to fire suppression agents that do not contain per- and polyfluoroalkyl substances (PFAS), which are synthetic chemicals known for their water- and grease-resistant properties.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
CEDs000674Bridle Bits?Bridle bits, commonly used in equestrian activities, can be a source of synthetic chemical contamination primarily through the materials used in their manufacturing.Agriculture & land managementPubChem
CEDs000677Horse Reins?Horse reins, often made from synthetic materials such as nylon or polyester, can be a source of chemical contamination due to their production and degradation processes.Agriculture & land managementPubChem
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
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
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
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
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
CEDs00751FeedAgriculture & land managementPMC8471810
CEDs00782RhizosphereAgriculture & land managementPMC11596127
CEDs00888Corn Steep LiquorAgriculture & land managementPMC8506220
CEDs00914Rhizosphere SoilsAgriculture & land managementPMC11047296
CEDs01143DietFood, food processing & cookwarePMC9589430
CEDs01144FoodFood, food processing & cookwarePMC8871145
CEDs01153Breast MilkFood, food processing & cookwarePMC12526477
CEDs01157FoodsFood, food processing & cookwarePMC9109159
CEDs01168Food ProductsFood, food processing & cookwarePMC10177761
CEDs01184Vegetable OilFood, food processing & cookwarePMC7017516
CEDs01198HoneyFood, food processing & cookwarePMC5815988
CEDs01202Olive OilFood, food processing & cookwarePMC9589430
CEDs01213FoodstuffsFood, food processing & cookwarePMC8471810
CEDs01267Egg YolkFood, food processing & cookwarePMC11343058
CEDs01313JuiceFood, food processing & cookwarePMC7854442
CEDs01380Beef ExtractFood, food processing & cookwarePMC8506220
CEDs01429Soy SauceFood, food processing & cookwarePMC9169274
CEDs01438Wheat GermFood, food processing & cookwarePMC8434028
CEDs01608Yak MeatFood, food processing & cookwarePMC9743155 , PMC9743155
CEDs01644Honeydew HoneyFood, food processing & cookwarePMC11275487
CEDs01786GDM milkFood, food processing & cookwarePMC12526477
CEDs01931Olfactory BulbIndustrial manufacturing & chemical processingPMC4947112
CEDs01982Bioplastic FilmsIndustrial manufacturing & chemical processingPMC10460084
CEDs02255WaterAquatic systems & sedimentsPMC11616837
CEDs02265River WaterAquatic systems & sedimentsPMC5556110
CEDs02845CosmeticsPersonal care & cosmeticsPMC8471810
Pathways
103 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Aspartate ammonia-lyase structureClick to view 3D structureAspartate ammonia-lyaseP0AC38Escherichia coli (strain K12)KnownNot Available
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansKnownNot Available
Aspartate aminotransferase structureClick to view 3D structureAspartate aminotransferaseP00509Escherichia coli (strain K12)KnownNot Available
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
0.752
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
3
E-value
0.0778492
Click to view 3D structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)
Prediction Confidence Score
0.55
Applicability Domain
0.55
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P39086HumansPredicted (SEA)
Prediction Confidence Score
0.516
Applicability Domain
0.565
Statistical Significance
4.00e-05
Supporting Reference Compounds
31
E-value
0.311397
Excitatory amino acid transporter 3 structureClick to view 3D structureExcitatory amino acid transporter 3P43005HumansPredicted (SEA)
Prediction Confidence Score
0.49
Applicability Domain
0.545
Statistical Significance
8.00e-05
Supporting Reference Compounds
13
E-value
0.622794
Click to view 3D structureMetabotropic glutamate receptor 8P47743Mus musculusPredicted (SEA)
Prediction Confidence Score
0.484
Applicability Domain
0.545
Statistical Significance
5.00e-05
Supporting Reference Compounds
2
E-value
0.389246
Metabotropic glutamate receptor 2 structureClick to view 3D structureMetabotropic glutamate receptor 2Q14416HumansPredicted (SEA)
Prediction Confidence Score
0.472
Applicability Domain
0.565
Statistical Significance
2.90e-04
Supporting Reference Compounds
85
E-value
2.25763
Electrogenic aspartate/glutamate antiporter SLC25A13, mitochondrial structureClick to view 3D structureElectrogenic aspartate/glutamate antiporter SLC25A13, mitochondrialQ9UJS0HumansKnownNot Available
Click to view 3D structureMetabotropic glutamate receptor 2P31421Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.471
Applicability Domain
0.545
Statistical Significance
2.20e-04
Supporting Reference Compounds
53
E-value
1.71268
Excitatory amino acid transporter 1 structureClick to view 3D structureExcitatory amino acid transporter 1P43003HumansKnownNot Available
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P22756Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.466
Applicability Domain
0.545
Statistical Significance
1.50e-04
Supporting Reference Compounds
45
E-value
1.16774
Electrogenic aspartate/glutamate antiporter SLC25A12, mitochondrial structureClick to view 3D structureElectrogenic aspartate/glutamate antiporter SLC25A12, mitochondrialO75746HumansKnownNot Available
Click to view 3D structureGlutamate receptor 4P48058HumansPredicted (SEA)
Prediction Confidence Score
0.457
Applicability Domain
0.545
Statistical Significance
2.00e-05
Supporting Reference Compounds
25
E-value
0.155698
Glutamate receptor ionotropic, kainate 2 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 2Q13002HumansPredicted (SEA)
Prediction Confidence Score
0.456
Applicability Domain
0.565
Statistical Significance
6.00e-05
Supporting Reference Compounds
16
E-value
0.467095
Metabotropic glutamate receptor 1 structureClick to view 3D structureMetabotropic glutamate receptor 1Q13255HumansPredicted (SEA)
Prediction Confidence Score
0.445
Applicability Domain
0.565
Statistical Significance
3.20e-04
Supporting Reference Compounds
68
E-value
2.49118
Click to view 3D structureMetabotropic glutamate receptor 6P35349Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.444
Applicability Domain
0.545
Statistical Significance
7.00e-05
Supporting Reference Compounds
24
E-value
0.544945
Excitatory amino acid transporter 1 structureClick to view 3D structureExcitatory amino acid transporter 1P43003HumansPredicted (SEA)
Prediction Confidence Score
0.444
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
11
E-value
0.0778492
Glutamate receptor ionotropic, kainate 3 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 3P42264Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.443
Applicability Domain
0.545
Statistical Significance
1.50e-04
Supporting Reference Compounds
26
E-value
1.16774
Glutamate receptor ionotropic, kainate 2 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 2P42260Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.439
Applicability Domain
0.545
Statistical Significance
1.10e-04
Supporting Reference Compounds
18
E-value
0.856341
Click to view 3D structureMetabotropic glutamate receptor 6O15303HumansPredicted (SEA)
Prediction Confidence Score
0.438
Applicability Domain
0.545
Statistical Significance
1.60e-04
Supporting Reference Compounds
39
E-value
1.24559
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P42262HumansPredicted (SEA)
Prediction Confidence Score
0.429
Applicability Domain
0.545
Statistical Significance
5.00e-05
Supporting Reference Compounds
41
E-value
0.389246
Click to view 3D structureMetabotropic glutamate receptor 4P31423Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.426
Applicability Domain
0.545
Statistical Significance
2.90e-04
Supporting Reference Compounds
38
E-value
2.25763
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P42261HumansPredicted (SEA)
Prediction Confidence Score
0.424
Applicability Domain
0.545
Statistical Significance
2.20e-04
Supporting Reference Compounds
37
E-value
1.71268
Click to view 3D structureGlutamate receptor ionotropic, kainate 5Q16478HumansPredicted (SEA)
Prediction Confidence Score
0.418
Applicability Domain
0.545
Statistical Significance
3.00e-05
Supporting Reference Compounds
17
E-value
0.233548
Metabotropic glutamate receptor 4 structureClick to view 3D structureMetabotropic glutamate receptor 4Q14833HumansPredicted (SEA)
Prediction Confidence Score
0.414
Applicability Domain
0.545
Statistical Significance
7.70e-04
Supporting Reference Compounds
69
E-value
5.99439
Click to view 3D structureGlutamate receptor ionotropic, kainate 3Q13003HumansPredicted (SEA)
Prediction Confidence Score
0.411
Applicability Domain
0.545
Statistical Significance
4.00e-05
Supporting Reference Compounds
15
E-value
0.311397
Click to view 3D structureMetabotropic glutamate receptor 8P70579Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.407
Applicability Domain
0.545
Statistical Significance
1.20e-04
Supporting Reference Compounds
28
E-value
0.934191
Click to view 3D structureAspartate-semialdehyde dehydrogenaseO25801Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)
Prediction Confidence Score
0.407
Applicability Domain
0.407
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P19490Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.402
Applicability Domain
0.545
Statistical Significance
2.10e-04
Supporting Reference Compounds
37
E-value
1.63483
Click to view 3D structureAspartate 1-decarboxylaseP0A793Shigella flexneriKnownNot Available
Argininosuccinate synthase structureClick to view 3D structureArgininosuccinate synthaseP00966HumansKnownNot Available
Catalase structureClick to view 3D structureCatalaseP04040HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDDB00128
HMDB IDHMDB0000191
FooDB IDFDB012567
Phenol Explorer IDNot Available
KNApSAcK IDC00001342
BiGG ID33663
BioCyc IDL-ASPARTATE
METLIN ID5206
PDB IDNot Available
Wikipedia LinkAspartic acid
Chemspider ID5745
ChEBI ID17053
PubChem Compound ID5960
Kegg Compound IDC00049
YMDB IDYMDB00896
ECMDB IDECMDB00191
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available