Aspartic acid

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Aspartic Acid

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Aspartic acid

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Aspartic acid

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Aspartic acid

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Aspartic acid

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SMILES:NC(CC(=O)O)C(=O)O

InChI:InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)

InChI key:CKLJMWTZIZZHCS-UHFFFAOYSA-N

Synonymes: L-Aspartinsaeure, D-Asp, L-Asparaginic acid, D-(-)-Aspartic acid, EINECS 217-234-6, MFCD00063081,L-aspartic acid, H-D-Asp-OH, L-Aminosuccinic acid, (2R)-2-aminobutanedioic acid, L-aspartate, CKLJMWTZIZZHCS-UWTATZPHSA-N, Aspartic acid, D-, (S)-Aminobutanedioic acid, L-(+)-Aspartic acid, (R)-2-aminobutanedioic acid, (S)-2-Aminosuccinic acid, aspartic acid, L-Asparagic acid, Aminosuccinic acid, (-)-Aspartic acid, NCGC00024498-02, D-aspartate, D-Aminosuccinic acid, 1783-96-6, CHEMBL29757, 4SR0Q8YD1X,L-Asp, L-aspartic acid, D-Asparaginsaeure, L-Asparaginsaeure, (R)-2-Aminobutanedioate, BRN 1723529, L-2-Aminobutanedioic acid, (R)-(-)-Aminosuccinic acid, Aspartate, L-, D(-)-Aspartic acid, 99+%,D-aspartic acid, Tocris-0213, Aspartic acid, L-, Asparaginsaeure [German], [3H]D-aspartic acid, L-Asp, H-Asp-OH, CHEBI:17364, NSC 97922, (S)-Aspartic acid, Aspartic acid D-form, Acidum asparticum, Asparaginic acid, aspartate, UNII-4SR0Q8YD1X, (R)-2-aminosuccinic acid, Asparagic acid, Aspatofort, (2S)-Aspartic acid, Butanedioic acid, amino-, (S), D-Aspartate,D-Aspartic acid, (R)-Aspartic acid,(2S)-2-aminobutanedioic acid, L-Asparaginsyra,{{Unbulleted list | Aminosuccinic acid | Asparagic acid | Asparaginic acid<ref name=merck>{{cite book |title= The Merck Index |chapter= 862. Aspartic acid |edition= 11th |page= [https://archive.org/details/merckindexency00buda/page/132 132] |year= 1989 |isbn= 978-0-911910-28-5 |last1= Budavari |first1= Susan |last2= Co |first2= Merck |chapter-url-access= registration |chapter-url= https://archive.org/details/merckindexency00buda |url= https://archive.org/details/merckindexency00buda/page/132 }}</ref> }}

Similarités

Pouvoir identifier des molécules similaires à celle que nous étudions peut permettre d'inférer certaines de ses propriétés. Il existe plusieurs façons de mesurer la similitude entre les molécules, par leur structure, leurs effets, leurs interactions pharmacologiques, etc. Vous pouvez trouver ci-dessous des molécules similaires selon divers critères et des outils que nous avons développés. Pour comprendre les limitations de ces comparaisons, il est crucial de se référer toujours à la méthodologie utilisée pour mesurer ces similitudes.Veuillez noter : Ces informations sont fournies uniquement à des fins informatives et ne doivent pas être interprétées comme des conseils médicaux.

Pour mesurer la similarité structurelle, nous utilisons la méthode Mol2vecmol2vec, qui est un réseau neuronal qui traite les molécules et les transforme en points dans l'espace, de telle sorte que les molécules avec des sous-structures chimiquement apparentées soient transformées en points proches dans l'espace.

Propriétés moléculaires

En utilisant le modèle de KGPT Deep Learning, nous prédisons plusieurs propriétés de la molécule. Les prédictions sont regroupées par l'ensemble de données utilisé pour les obtenir. Avec chaque prédiction, nous fournissons un graphique montrant la distribution des valeurs prédites sur l'ensemble d'entraînement/test/validation. Cela donne une estimation de la fiabilité du modèle.

Description: A dataset focused on predicting the inhibitory effects of molecules on the enzyme beta-secretase 1 (BACE1). BACE1 inhibition is a potential target for Alzheimer's disease treatment.
Class
TrainValTest
2.88-3.70-1.36
Description: A dataset providing insights on the ability of molecules to penetrate the blood-brain barrier. Crucial for understanding the potential of molecules as central nervous system drugs.
p_np
TrainValTest
-2.24-3.290.40
Description: This dataset deals with the FDA approval status and clinical trial toxicity of molecules. Important for understanding the safety and regulatory status of compounds.
CT_TOX
TrainValTest
-0.49-0.78-0.91
FDA_APPROVED
TrainValTest
0.53-1.27-0.50
Description: A dataset that predicts the solubility of molecules in water. Solubility is an essential property influencing bioavailability and the potential formulation of a drug.
logSolubilitylog(mol/L)
1.74
TrainValTest
Description: This dataset is centered on predicting the free energy when a molecule is dissolved in water. The energy changes can affect molecular interactions in biological systems.
freesolvkcal/mol
-3.85
TrainValTest
Description: A dataset predicting the lipophilicity of molecules. Lipophilicity is a crucial factor affecting the distribution, metabolism, and excretion of drugs in the body.
lipoAlogP
-2.41
TrainValTest
Description: This dataset gives insights into the metabolic stability of molecules. High metabolic stability often results in a longer half-life, influencing drug dosage and frequency.
low
TrainValTest
-0.17-3.50-2.88
high
TrainValTest
0.72-3.55-0.49
27 entries
12 entries
617 entries

Perspectives avancées

Nous fournissons des analyses plus avancées sur les interactions d'une molécule avec le métabolisme humain, les sites de liaison, etc.

Interaction de cette molécule avec le métabolisme

Nous utilisons un modèle d'apprentissage en profondeur pour prédire les interactions de cette molécule avec le métabolisme. Consultez la source pour comprendre la méthodologie.

Réactions qui métabolisent cette molécule
Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents
Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents
Ligation 5014
Enzymes: CAD protein
Reagents
Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Oxidation from CyProduct BTMR1330
Enzymes: D-aspartate oxidase
Reagents

Metabolite: InChI=1S/C4H4O5...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzymes: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/CO2/c2...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C4H4O5...

Amine group addition 114
Enzymes: Putative aspartate aminotransferase, cytoplasmic 2
Reagents

Metabolite: InChI=1S/C5H9NO...

Synthesis 932
Enzymes: Asparagine synthetase [glutamine-hydrolyzing]
Reagents

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzymes: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzymes: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Réactions qui produisent du métabolisme à partir de cette molécule
N-Dealkylation of acyclic secondary amine BTMR1140
Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products
Amide hydrolysis 327
Enzymes: Aspartoacylase
Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Dipeptide hydrolysis BTMR1327
Enzymes: 3.4.13.18
Products
Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Amide hydrolysis 326
Enzymes: Aspartoacylase
Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Peptide hydrolysis 923
Enzymes: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzymes: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...