L-Asparagine (CED0000954)

Record Information
Version1.0
Creation Date2014-08-29 06:34:51 UTC
Update Date2026-05-14 16:24:28 UTC
SynCED IDCED0000954
Secondary Accession Numbers
  • CHEM003322
  • T3D4362
Identification
Common NameL-Asparagine
ClassSmall Molecule
Description
L-Asparagine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This endogenous compound has the formula C4H8N2O3 and an average molecular weight of 132.12 g/mol. At room temperature, it exists as a solid. L-Asparagine is detected in the prostate and all tissues. It is associated with breast cancer, as well as an inverse association with breast cancer (PMC9847033 ). Biologically, the compound serves as a human metabolite and a micronutrient. Its industrial applications include use as an amino acid, a flavoring and nutrient, and a nutraceutical (PMC11480432 ). There are nine recorded protein targets for L-Asparagine, including asparagine synthetase [glutamine-hydrolyzing] (ASNS), asparagine--tRNA ligase, cytoplasmic (NARS1), inhibitor of Neutral amino acid transporter B(0) (SLC1A5), and isoaspartyl peptidase/L-asparaginase (ASRGL1). L-Asparagine has been recorded in 29 sources. These include household cleaning and consumer products such as soap detergents, bleaching agents, tobacco product cases, perfumes within detergents and soaps, and cigar cigarettes. It is found in food, food processing and cookware, specifically in the preparation of malt, food preservation, fermentation processes for beer, and the preparation of vinegar, wine, or sparkling wine. Additionally, it is present in electrical and electronic equipment, including antennas, amplifiers, conductors or conductive bodies characterised by the conductive materials, auxiliary devices, and cores yokes or armatures.
Contaminant Type
  • Amine
  • Animal Toxin
  • Dietary Supplement
  • Drug
  • Food Toxin
  • Metabolite
  • Micronutrient
  • Natural Compound
  • Non-Essential Amino Acid
  • Nutraceutical
  • Organic Compound
  • Supplement
Chemical Structure
Synonyms
ValueSource
(2S)-2,4-Diamino-4-oxobutanoic acidChEBI
(2S)-2-Amino-3-carbamoylpropanoic acidChEBI
(S)-2-Amino-3-carbamoylpropanoic acidChEBI
(S)-AsparagineChEBI
2-Aminosuccinamic acidChEBI
alpha-Aminosuccinamic acidChEBI
AsnChEBI
ASPARAGINEChEBI
Aspartamic acidChEBI
L-2-Aminosuccinamic acidChEBI
L-AsparaginChEBI
L-Aspartic acid beta-amideChEBI
NChEBI
(2S)-2,4-Diamino-4-oxobutanoateGenerator
(2S)-2-Amino-3-carbamoylpropanoateGenerator
(S)-2-Amino-3-carbamoylpropanoateGenerator
2-AminosuccinamateGenerator
a-AminosuccinamateGenerator
a-Aminosuccinamic acidGenerator
alpha-AminosuccinamateGenerator
Α-aminosuccinamateGenerator
Α-aminosuccinamic acidGenerator
AspartamateGenerator
L-2-AminosuccinamateGenerator
L-Aspartate b-amideGenerator
L-Aspartate beta-amideGenerator
L-Aspartate β-amideGenerator
L-Aspartic acid b-amideGenerator
L-Aspartic acid β-amideGenerator
(-)-AsparagineHMDB
(S)-2,4-Diamino-4-oxobutanoateHMDB
(S)-2,4-Diamino-4-oxobutanoic acidHMDB
AgedoiteHMDB
alpha AmminosuccinamateHMDB
alpha Amminosuccinamic acidHMDB
AltheineHMDB
Asparagine acidHMDB
AsparamideHMDB
Aspartic acid amideHMDB
Aspartic acid b-amideHMDB
Aspartic acid beta amideHMDB
b2,4-(S)-Diamino-4-oxo-utanoateHMDB
b2,4-(S)-Diamino-4-oxo-utanoic acidHMDB
Crystal VIHMDB
L-2,4-Diamino-4-oxobutanoateHMDB
L-2,4-Diamino-4-oxobutanoic acidHMDB
L-AspartamineHMDB
L-b-AsparagineHMDB
L-beta-AsparagineHMDB
Chemical FormulaC4H8N2O3
Average Molecular Mass132.118 g/mol
Monoisotopic Mass132.053 g/mol
CAS Registry Number70-47-3
IUPAC Name(2S)-2-amino-3-carbamoylpropanoic acid
Traditional NameL-asparagine
SMILESN[C@@H](CC(N)=O)C(O)=O
InChI IdentifierInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChI KeyDCXYFEDJOCDNAF-REOHCLBHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as asparagine and derivatives. Asparagine and derivatives are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine 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 ParentAsparagine and derivatives
Alternative Parents
Substituents
  • Asparagine or derivatives
  • Alpha-amino acid
  • L-alpha-amino acid
  • Fatty amide
  • Fatty acyl
  • Fatty acid
  • Carboxamide group
  • Amino acid
  • Primary carboxylic acid amide
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginEndogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
  • Mitochondria
Biofluid LocationsNot Available
Tissue Locations
  • All Tissues
  • Prostate
Applications
Biological Roles
Chemical RolesNot Available
Organoleptic Effects
  • tasteless taste ?
  • umami taste ?
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting Point234-235°C
Boiling PointNot Available
Solubility2.94E+004 mg/L (at 25°C)
Predicted Properties
PropertyValueSource
Water Solubility168 g/LALOGPS
logP-3.4ALOGPS
logP-4.3ChemAxon
logS0.1ALOGPS
pKa (Strongest Acidic)2ChemAxon
pKa (Strongest Basic)8.43ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area106.41 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity28.35 m³·mol⁻¹ChemAxon
Polarizability11.68 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 Spectrumsplash10-0159-0910000000-bedf57998656ab5ebc16Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0159-0910000000-4979c4d028d2dc931263Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0159-0910000000-b7ea3fef61f3940cbddaNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00di-9710000000-6d0afcbcc003347e598eNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0uxr-0910000000-2be567239bd3229b1ca1Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-02t9-0790000000-b8141f48cbebb90f683eNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-02t9-1790000000-1d12ed9b4fb2799da766Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-014u-0961000000-65a5c0999f17110c9939Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00kr-0940000000-0e0e5c7bdbac5ea0e49eNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00lr-1920000000-7864dbb1f685e64dd1cfNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-000i-1940000000-964ea25da2789805985aNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00lr-0930000000-79a089d9875e092dd7f2Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0159-0910000000-bedf57998656ab5ebc16Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0159-0910000000-4979c4d028d2dc931263Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0159-0910000000-b7ea3fef61f3940cbddaNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00di-4931100000-17f149310ce3a0f748d1Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00di-9710000000-6d0afcbcc003347e598eNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0uxr-0910000000-2be567239bd3229b1ca1Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-02t9-0790000000-b8141f48cbebb90f683eNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-02t9-1790000000-1d12ed9b4fb2799da766Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-014u-0961000000-65a5c0999f17110c9939Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00kr-0940000000-0e0e5c7bdbac5ea0e49eNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00lr-1920000000-7864dbb1f685e64dd1cfNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-000i-1940000000-964ea25da2789805985aNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-000f-9100000000-5881591331bd059b7e7dNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00dl-9500000000-43e7ef81d2403c1cef31Not 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 Spectrumsplash10-0080-9400000000-e5c7e19f427eea6d71b0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-afc1214100db1168b095Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-9000000000-57e977cd87e9a86d482bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-6fb96f5aa291359dba29Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-76f11e6fe5657c35d15fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-e944486273dbfde4cae4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-27ad91a86be0c4d86c3cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-b8b7a3431b66246ad613Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-03fa294ec740e189dd99Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-cee2081406fc25ab6169Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-cd79afa0c27f65e54adcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01q9-0943200000-5a24322ba0ce2f410155Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0900000000-fc3086cc1bb0c06a4c11Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-3900000000-2d74d8232e7523f3b1c9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-fa61c6fa9a87ce4905bbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01q9-0942200000-757da8b3406485c997b0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-9000000000-eac18512f2d22ab7a7efNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0900000000-8df6d5b6cf94bf081c89Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-18079004a95c252da208Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-e6b1f9b4982e6cdc863dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-5900000000-7b9c09b3b6de28972f97Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-9100000000-2ea95ead344d62e230a4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-defacc365589bc4437d7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-fd60db4d5e35794c45aeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-3900000000-fd0f1034b5c1e40435c0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9100000000-ac6ee5b31d2ca5a78980Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-3c04f1c797434daa6d1cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-fea0e8fe2daca327892eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-9000000000-da4f011dc3ac5b143f29Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-8717d01ca62b4bbbbc5bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-e6b1f9b4982e6cdc863dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-5900000000-0cb113c77622352647ebNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-9100000000-2ea95ead344d62e230a4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-defacc365589bc4437d7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-fd60db4d5e35794c45aeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0900000000-fc3086cc1bb0c06a4c11Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-3900000000-2d74d8232e7523f3b1c9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-fa61c6fa9a87ce4905bbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-9000000000-eac18512f2d22ab7a7efNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0900000000-8df6d5b6cf94bf081c89Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-18079004a95c252da208Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-3900000000-fd0f1034b5c1e40435c0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9100000000-ac6ee5b31d2ca5a78980Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-c6f09ae894f786971692Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-fea0e8fe2daca327892eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-9000000000-da4f011dc3ac5b143f29Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-0df05b2f1172c9a862e9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-27ad91a86be0c4d86c3cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-03fa294ec740e189dd99Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9000000000-cee2081406fc25ab6169Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0900000000-cd79afa0c27f65e54adcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-a633e98399585af78c4cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-399bd6b9cc468ba271c0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-9800000000-7fcb00d7edfb8465c112Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-9000000000-fad832764ce78df153deNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-f258a16e98c3ce8680c8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-ceb098fdfdeae0f15066Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-1900000000-e8b0dac3938e20130581Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-9000000000-eeaa9e4415692e5a6864Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9400000000-bf426d57dd46047c7bd8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-9100000000-89317ef6e41002d045f4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ab9-3900000000-593fe8f30be91c29a13bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01ox-9200000000-374983d267c94509d0d1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01c0-9500000000-038c3372fde7e39dbf3bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-ed937bc83c3cb1090636Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-b8b8ab7db8e8fb521b46Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-9000000000-210fa22190af068804e6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-9000000000-bbaf77e7736f58da3954Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-9200000000-e76e61f5a76d5ea446f4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-9200000000-b9b1eb8bfaa641ec48d7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-5900000000-f98d71e4e5fa43d13eb5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-9200000000-efdddd44987c8b81b1f2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-90c0260e7b12ac422d99Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-77dffbc575ed98366e61Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9200000000-80b7c6f609443e6bca32Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-d8fd4db2e311046c14f4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-9789f94f6f520fcc52ddNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-4900000000-0efee01057508fa83b72Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-3121986efd49631fa4d4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-e887a65df8ce50709c3fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-3ae274667667e06628f3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-d2f462b40cfbed5852a1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03e9-0900000000-31332f52696958b2083fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03k9-7900000000-04a098f31c8fca2ad2dbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-3900000000-8ac7df5cc4ac7d34fde3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9100000000-fbff4f49d3f4c76a0f3bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-9000000000-d592834ece227161f28bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-015i-9700000000-74565d33539905a7f4e3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dr-9100000000-439d8b494bcc2c657584Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-3d057971482c08a22ae1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-4900000000-44107cc9e625603aa1d4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0016-9300000000-887eb70e6788b4b7c513Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-d76a7af45b6c73471794Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00xr-9300000000-e07b80cc3c9fd3b9281dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9000000000-5c032b7eeb69c0213827Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-a7471da8aeb0443ffb99Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-1900000000-831feb8b7ce011d73c8eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0076-9200000000-1bed3281e3ab973b1841Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-b990d7063181be79cb69Not AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, H2O, experimental)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, H2O, experimental)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
6461.0 Log mg/kg [3600:11000]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityAsparagine, a non-essential amino acid is important in the metabolism of toxic ammonia in the body through the action of asparagine synthase which attaches ammonia to aspartic acid in an amidation reaction. Asparagine is also used as a structural component in many proteins.
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
cancerAssociated With?Not AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC9305493 , PMC5678792
breast cancerAssociated With?Not AvailableA breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)PMC9847033
breast cancerAssociated With?inverseA breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)PMC9847033
diabetes mellitusIs Biomarker OfNot AvailableA glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)PMC5878141 , PMC5878141
diabetes mellitusAssociated With?Not AvailableA glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)PMC5878141 , PMC5878141
osteosarcomaAssociated With?increaseNot AvailablePMC13358193
acute leukemiaAssociated With?increaseNot AvailablePMC8222790
microcephalyAssociated With?Not AvailableNot AvailablePMC8766818
drug-induced liver injuryHas Therapeutic Effect OnNot AvailableNot AvailablePMC10065070
inherited metabolic disorderNot AvailableNot AvailableNot AvailablePMC10065070
Pyruvate Carboxylase Deficiency DiseaseNot AvailableNot AvailableNot AvailablePMC10065070
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 managementPMC8269250
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
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
CEDs000490Personal care & cosmeticsNot Available
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
CEDs000507Auxiliary Devices?Auxiliary devices, such as capacitors, transformers, and circuit breakers, are integral components in various electronic systems.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
CEDs000513Cores Yokes Or Armatures?Cores, yokes, or armatures are components commonly found in electrical devices, used to facilitate the magnetic and electrical functions within motors, transformers, and generators.Electrical & Electronic EquipmentPubChem
CEDs000514Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.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
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
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
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.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
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
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
CEDs000589Life Buoys?Life buoys, commonly used in marine environments for safety and rescue operations, can be a source of synthetic chemical contamination due to the materials used in their production.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
CEDs000598Fertiliser Distributors?Fertiliser distributors play a critical role in the supply of synthetic fertilizers, which are widely used to enhance soil fertility and crop yield.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
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000645Inorganic Fibres?Inorganic fibres, such as asbestos, glass wool, and ceramic fibres, are used in various applications due to their thermal resistance, strength, and durability.Textiles, leather & furnishingsPubChem
CEDs000655Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.Textiles, leather & furnishingsPubChem
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
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
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
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
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000738Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000742Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.Textiles, leather & furnishingsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs00755MaizeAgriculture & land managementPMC9749430
CEDs00917Barley GrainAgriculture & land managementPMC10486470
CEDs01121Dental CalculusHealthcare, pharmaceuticals & veterinary productsPMC8032661 , PMC8032661
CEDs01144FoodFood, food processing & cookwarePMC10453564 , PMC10887767
CEDs01157FoodsFood, food processing & cookwarePMC7507041
CEDs01160CerealsFood, food processing & cookwarePMC11076960
CEDs01161Cereal GrainsFood, food processing & cookwarePMC11076960
CEDs01168Food ProductsFood, food processing & cookwarePMC10887767
CEDs01171MeatFood, food processing & cookwarePMC13027452 , PMC13408589
CEDs01177BreadFood, food processing & cookwarePMC8834576 , PMC11076960
CEDs01182Coffee BeansFood, food processing & cookwarePMC6468383 , PMC11076960
CEDs01183WheatFood, food processing & cookwarePMC10486470 , PMC10486470
CEDs01187RiceFood, food processing & cookwarePMC9749430
CEDs01188FlourFood, food processing & cookwarePMC10486470 , PMC11076960
CEDs01211Food MatrixFood, food processing & cookwarePMC6514760
CEDs01213FoodstuffsFood, food processing & cookwarePMC10711450
CEDs01229Wheat GrainsFood, food processing & cookwarePMC11076960
CEDs01248Wheat FlourFood, food processing & cookwarePMC13490289
CEDs01313JuiceFood, food processing & cookwarePMC11786580
CEDs01334Cereal ProductsFood, food processing & cookwarePMC13490289 , PMC6163171
CEDs01384Carbohydrate-rich FoodsFood, food processing & cookwarePMC12944409
CEDs01434Coffee SamplesFood, food processing & cookwarePMC11137541
CEDs01511FloursFood, food processing & cookwarePMC8621915
CEDs01558Wheat GrainFood, food processing & cookwarePMC10486470 , PMC10486470
CEDs01644Honeydew HoneyFood, food processing & cookwarePMC11275487
CEDs02255WaterAquatic systems & sedimentsPMC11035925
Pathways
12 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
L-asparaginase structureClick to view 3D structureL-asparaginaseP06608Pectobacterium chrysanthemiKnownNot Available
Click to view 3D structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)
Prediction Confidence Score
0.524
Applicability Domain
0.524
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
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
0.517
Applicability Domain
0.65
Statistical Significance
2.00e-05
Supporting Reference Compounds
3
E-value
0.155698
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P39086HumansPredicted (SEA)
Prediction Confidence Score
0.483
Applicability Domain
0.542
Statistical Significance
5.00e-05
Supporting Reference Compounds
31
E-value
0.389246
Excitatory amino acid transporter 3 structureClick to view 3D structureExcitatory amino acid transporter 3P43005HumansPredicted (SEA)
Prediction Confidence Score
0.448
Applicability Domain
0.5
Statistical Significance
1.20e-04
Supporting Reference Compounds
13
E-value
0.934191
Metabotropic glutamate receptor 2 structureClick to view 3D structureMetabotropic glutamate receptor 2Q14416HumansPredicted (SEA)
Prediction Confidence Score
0.442
Applicability Domain
0.542
Statistical Significance
4.10e-04
Supporting Reference Compounds
85
E-value
3.19182
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P22756Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.436
Applicability Domain
0.5
Statistical Significance
1.90e-04
Supporting Reference Compounds
45
E-value
1.47914
Click to view 3D structureMetabotropic glutamate receptor 8P47743Mus musculusPredicted (SEA)
Prediction Confidence Score
0.433
Applicability Domain
0.458
Statistical Significance
6.00e-05
Supporting Reference Compounds
2
E-value
0.467095
Click to view 3D structureGlutamate receptor 4P48058HumansPredicted (SEA)
Prediction Confidence Score
0.428
Applicability Domain
0.464
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
0.426
Applicability Domain
0.542
Statistical Significance
8.00e-05
Supporting Reference Compounds
16
E-value
0.622794
Click to view 3D structureMetabotropic glutamate receptor 2P31421Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.417
Applicability Domain
0.458
Statistical Significance
4.10e-04
Supporting Reference Compounds
53
E-value
3.19182
Click to view 3D structureMetabotropic glutamate receptor 6P35349Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.415
Applicability Domain
0.458
Statistical Significance
1.30e-04
Supporting Reference Compounds
24
E-value
1.01204
Metabotropic glutamate receptor 1 structureClick to view 3D structureMetabotropic glutamate receptor 1Q13255HumansPredicted (SEA)
Prediction Confidence Score
0.414
Applicability Domain
0.542
Statistical Significance
4.50e-04
Supporting Reference Compounds
68
E-value
3.50322
Glutamate receptor ionotropic, kainate 3 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 3P42264Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.414
Applicability Domain
0.5
Statistical Significance
1.80e-04
Supporting Reference Compounds
26
E-value
1.40129
Glutamate receptor ionotropic, kainate 2 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 2P42260Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.41
Applicability Domain
0.5
Statistical Significance
1.50e-04
Supporting Reference Compounds
18
E-value
1.16774
Click to view 3D structureMetabotropic glutamate receptor 6O15303HumansPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.5
Statistical Significance
1.90e-04
Supporting Reference Compounds
39
E-value
1.47914
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P42262HumansPredicted (SEA)
Prediction Confidence Score
0.401
Applicability Domain
0.458
Statistical Significance
1.00e-04
Supporting Reference Compounds
41
E-value
0.778492
Click to view 3D structureMetabotropic glutamate receptor 4P31423Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.398
Applicability Domain
0.458
Statistical Significance
3.80e-04
Supporting Reference Compounds
38
E-value
2.95827
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P42261HumansPredicted (SEA)
Prediction Confidence Score
0.396
Applicability Domain
0.458
Statistical Significance
3.30e-04
Supporting Reference Compounds
37
E-value
2.56902
Click to view 3D structureAspartate-semialdehyde dehydrogenaseO25801Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)
Prediction Confidence Score
0.393
Applicability Domain
0.393
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Click to view 3D structureGlutamate receptor ionotropic, kainate 5Q16478HumansPredicted (SEA)
Prediction Confidence Score
0.391
Applicability Domain
0.458
Statistical Significance
9.00e-05
Supporting Reference Compounds
17
E-value
0.700643
Click to view 3D structureGlutamate receptor ionotropic, kainate 3Q13003HumansPredicted (SEA)
Prediction Confidence Score
0.384
Applicability Domain
0.458
Statistical Significance
6.00e-05
Supporting Reference Compounds
15
E-value
0.467095
Metabotropic glutamate receptor 4 structureClick to view 3D structureMetabotropic glutamate receptor 4Q14833HumansPredicted (SEA)
Prediction Confidence Score
0.382
Applicability Domain
0.458
Statistical Significance
0.001
Supporting Reference Compounds
69
E-value
8.01847
Arginase structureClick to view 3D structureArginaseQ8I384Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.379
Applicability Domain
0.379
Statistical Significance
7.00e-05
Supporting Reference Compounds
1
E-value
0.544945
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P19490Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.5
Statistical Significance
3.00e-04
Supporting Reference Compounds
37
E-value
2.33548
Click to view 3D structureMetabotropic glutamate receptor 8P70579Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.458
Statistical Significance
2.10e-04
Supporting Reference Compounds
28
E-value
1.63483
GMP synthase [glutamine-hydrolyzing] structureClick to view 3D structureGMP synthase [glutamine-hydrolyzing]P04079Escherichia coli (strain K12)KnownNot Available
Hypoxia-inducible factor 1-alpha inhibitor structureClick to view 3D structureHypoxia-inducible factor 1-alpha inhibitorQ9NWT6HumansKnownNot Available
Legumain structureClick to view 3D structureLegumainQ99538HumansKnownNot Available
Asparagine synthetase [glutamine-hydrolyzing] structureClick to view 3D structureAsparagine synthetase [glutamine-hydrolyzing]P08243HumansKnownNot Available
Asparagine--tRNA ligase, cytoplasmic structureClick to view 3D structureAsparagine--tRNA ligase, cytoplasmicO43776HumansKnownNot Available
Isoaspartyl peptidase/L-asparaginase structureClick to view 3D structureIsoaspartyl peptidase/L-asparaginaseQ7L266HumansKnownNot Available
Neutral amino acid transporter B(0) structureClick to view 3D structureNeutral amino acid transporter B(0)Q15758HumansKnownNot Available
Click to view 3D structureAsparaginyl-tRNA synthetaseQ96I59HumansKnownNot Available
Click to view 3D structureSodium-coupled neutral amino acid transporter 3Q99624HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDDB00174
HMDB IDHMDB0000168
FooDB IDFDB000787
Phenol Explorer IDNot Available
KNApSAcK IDC00001341
BiGG ID34055
BioCyc IDASN
METLIN ID14
PDB IDNot Available
Wikipedia LinkAsparagine
Chemspider ID6031
ChEBI ID17196
PubChem Compound ID6267
Kegg Compound IDC00152
YMDB IDYMDB00226
ECMDB IDECMDB00168
References
Synthesis Reference

Sang C. Park, “Pharmaceutical preparation containing L-aspartate or L-asparagine for preventing ethanol toxicity, and process for preparation thereof.” U.S. Patent US5389359, issued November, 1991.

MSDSLink
General References
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  2. Cynober LA: Plasma amino acid levels with a note on membrane transport: characteristics, regulation, and metabolic significance. Nutrition. 2002 Sep;18(9):761-6. [PubMed: 12297216]
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  4. Rainesalo S, Keranen T, Palmio J, Peltola J, Oja SS, Saransaari P: Plasma and cerebrospinal fluid amino acids in epileptic patients. Neurochem Res. 2004 Jan;29(1):319-24. [PubMed: 14992292]
  5. Hagenfeldt L, Bjerkenstedt L, Edman G, Sedvall G, Wiesel FA: Amino acids in plasma and CSF and monoamine metabolites in CSF: interrelationship in healthy subjects. J Neurochem. 1984 Mar;42(3):833-7. [PubMed: 6198473]
  6. Starczynowski DT, Reynolds JG, Gilmore TD: Mutations of tumor necrosis factor alpha-responsive serine residues within the C-terminal transactivation domain of human transcription factor REL enhance its in vitro transforming ability. Oncogene. 2005 Nov 10;24(49):7355-68. [PubMed: 16027730]
  7. Fischer D, Schroers A, Blumcke I, Urbach H, Zerres K, Mortier W, Vorgerd M, Schroder R: Consequences of a novel caveolin-3 mutation in a large German family. Ann Neurol. 2003 Feb;53(2):233-41. [PubMed: 12557291]
  8. Filho JC, Bergstrom J, Stehle P, Furst P: Simultaneous measurements of free amino acid patterns of plasma, muscle and erythrocytes in healthy human subjects. Clin Nutr. 1997 Dec;16(6):299-305. [PubMed: 16844612]
  9. Sun S, Han J, Ralph WM Jr, Chandrasekaran A, Liu K, Auborn KJ, Carter TH: Endoplasmic reticulum stress as a correlate of cytotoxicity in human tumor cells exposed to diindolylmethane in vitro. Cell Stress Chaperones. 2004 Mar;9(1):76-87. [PubMed: 15270080]
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