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

Sinónimos: 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> }}

Similitudes

Poder identificar moléculas similares a la que estudiamos puede permitir inferir algunas de sus propiedades. Hay varias formas de medir la similitud entre moléculas, por su estructura, efectos, interacciones farmacológicas, etc. A continuación, puedes encontrar moléculas similares según varios criterios y herramientas que desarrollamos. Para comprender las limitaciones de estas comparaciones, es crucial referirse siempre a la metodología utilizada para medir esas similitudes.Ten en cuenta: Esta información se proporciona únicamente con fines informativos y no debe interpretarse como asesoramiento médico.

Para medir la similitud estructural, utilizamos el método de Mol2vec Mol2Vec, que es una red neuronal que procesa moléculas y las transforma en puntos en el espacio, de modo que las moléculas con subestructuras químicamente relacionadas se transforman en puntos cercanos en el espacio.

Propiedades de la molécula

Utilizando el modelo de KGPT Aprendizaje Profundo, predecimos varias propiedades de la molécula. Las predicciones se agrupan según el conjunto de datos que se utilizó para obtener esas predicciones. Junto con cada predicción, proporcionamos un gráfico que muestra la distribución de los valores predichos en el conjunto de datos de entrenamiento/prueba/validación. Esto da una estimación de la confiabilidad del modelo.

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

Perspectivas avanzadas

En lo siguiente, proporcionamos un análisis más avanzado sobre las interacciones de una molécula con el metabolismo humano, sitios de acoplamiento, etc.

Interacción de esta molécula con el metabolismo

Utilizamos un modelo de Aprendizaje Profundo para predecir las interacciones de esta molécula con el metabolismo. Consulta la fuente para entender la metodología.

Reacciones que metabolizan esta molécula
Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents
Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Amine group addition 114
Enzimas: Putative aspartate aminotransferase, cytoplasmic 2
Amine group addition 114
Enzimas: Putative aspartate aminotransferase, cytoplasmic 2
Synthesis 932
Enzimas: Asparagine synthetase [glutamine-hydrolyzing]
Reagents
Ligation 5014
Enzimas: CAD protein
Reagents
Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Oxidation from CyProduct BTMR1330
Enzimas: D-aspartate oxidase
Reagents

Metabolite: InChI=1S/C4H4O5...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

Metabolite: InChI=1S/C3H7NO...

Decarboxylation 1520
Enzimas: Glutamate decarboxylase 1
Reagents

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

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

Metabolite: InChI=1S/C4H4O5...

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

Metabolite: InChI=1S/C5H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Ligation 5014
Enzimas: CAD protein
Reagents

Metabolite: InChI=1S/C5H8N2...

Synthesis 3899
Enzimas: N-acetylaspartate synthetase
Reagents

Metabolite: InChI=1S/C6H9NO...

Reacciones que el metabolismo produce a partir de esta molécula
N-Dealkylation of acyclic secondary amine BTMR1140
Peptide hydrolysis 923
Enzimas: Isoaspartyl peptidase/L-asparaginase
Products
Amide hydrolysis 327
Enzimas: Aspartoacylase
Peptide hydrolysis 923
Enzimas: Isoaspartyl peptidase/L-asparaginase
Products

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

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

Metabolite: InChI=1S/C4H8N2...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...