Acetic Acid

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Acetic Acid

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Acetic Acid, Glacial

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SMILES:CC(=O)O

InChI:InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

InChI key:QTBSBXVTEAMEQO-UHFFFAOYSA-N

Sinónimos: Glacial acetic acid, ethoic acid, Acetic acid, glacial, Acetic acid glacial, Azijnzuur [Dutch], Octowy kwas, Acido acetico, Otic Tridesilon, Aceticum acidum,Acetic acid,ethanoic acid,Ethanoic acid, Azijnzuur, Methanecarboxylic acid, Essigsaeure, Acide acetique [French], Otic Domeboro, Aci-jel, Kyselina octova [Czech], Orlex, HOAc, 64-19-7,Aethansaeure, Vinegar acid, Acetic Acid 025% In Plastic Container, Acide acetique, Vosol, Acetic acid (natural), acetyl alcohol, Pyroligneous acid, Acetasol, Kyselina octova, Caswell No 003, Vinegar, Ethylic acid,Essigsaeure,Acidum aceticum, Octowy kwas [Polish],Eisessig, Ethanoic acid monomer, Essigsaeure [German],Glacial acetic acid

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)
2.49
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
-0.90
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
-2.16
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
Glycine conjugation BTMR1325
Enzimas: 2.3.1.13
Reagents

Metabolite: InChI=1S/C4H7NO...

O-Glucuronidation of aliphatic acid BTMR0167
Enzimas: 2.4.1.17
Reagents

Metabolite: InChI=1S/C8H12O...

Carnitine conjugation BTMR1324
Enzimas: 2.3.1.7
alpha-Hydroxylation of carbonyl group BTMR1054
Reacciones que el metabolismo produce a partir de esta molécula
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Amide hydrolysis 327
Enzimas: Aspartoacylase
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Cleavage of C-17-acyl-sterol BTMR0393
Enzimas: 1.14.14.19
Ester hydrolysis 203
Enzimas: Acetylcholinesterase
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Keto hydrolysis BTMR0254
Enzimas: EC 3.7.1.
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Keto hydrolysis BTMR0254
Enzimas: EC 3.7.1.
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Keto hydrolysis BTMR0254
Enzimas: EC 3.7.1.
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Keto hydrolysis BTMR0253
Enzimas: EC 3.7.1.
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Keto hydrolysis BTMR0254
Enzimas: EC 3.7.1.
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Aldehyde oxidation BTMR0050
Enzimas: 1.2.3.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Ester hydrolysis 203
Enzimas: Acetylcholinesterase
Products

Metabolite: InChI=1S/C7H16N...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Keto hydrolysis BTMR0254
Enzimas: EC 3.7.1.
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydroxylation from CyProduct BTMR1328
Enzimas: Steroid 17-alpha-hydroxylase/17,20 lyase
Products
Hydroxylation from CyProduct BTMR1328
Enzimas: Steroid 17-alpha-hydroxylase/17,20 lyase
Hydroxylation from CyProduct BTMR1328
Enzimas: Steroid 17-alpha-hydroxylase/17,20 lyase
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Keto hydrolysis BTMR0254
Enzimas: EC 3.7.1.
Cleavage of C-17-acyl-sterol BTMR0392
Enzimas: 1.14.14.19
Cleavage of C-17-acyl-sterol BTMR0394
Enzimas: 1.14.14.19
Products

Metabolite: InChI=1S/C21H32...

Cleavage of C-17-acyl-sterol BTMR0395
Enzimas: 1.14.14.19
Products

Metabolite: InChI=1S/C21H32...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products

Metabolite: InChI=1S/C21H22...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Ester hydrolysis 2106
Enzimas: Liver carboxylesterase 1
Ester hydrolysis 203
Enzimas: Acetylcholinesterase
Products

Metabolite: InChI=1S/C7H16N...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Steroid 17-alpha-hydroxylase/17,20 lyase
Products

Metabolite: InChI=1S/C21H30...

Amide hydrolysis 3882
Enzimas: Putative N-acetylglucosamine-6-phosphate deacetylase
Products

Metabolite: InChI=1S/C8H16N...

Hydroxylation from CyProduct BTMR1328
Enzimas: Steroid 17-alpha-hydroxylase/17,20 lyase
Products

Metabolite: InChI=1S/C21H32...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Ester hydrolysis 208
Enzimas: Acyl-coenzyme A thioesterase 12
Amide hydrolysis 3882
Enzimas: Putative N-acetylglucosamine-6-phosphate deacetylase
Products

Metabolite: InChI=1S/C8H16N...

Ester hydrolysis 203
Enzimas: Acetylcholinesterase
Products

Metabolite: InChI=1S/C7H16N...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
alpha-Oxidation of carboxylic acid BTMR0276
Enzimas: Unspecified gut bacterial enzyme
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Degradation of aliphatic nitrile to carboxylic acid BTMR1258
Enzimas: 3.5.5.7
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Keto hydrolysis BTMR0254
Enzimas: EC 3.7.1.
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amide hydrolysis 327
Enzimas: Aspartoacylase
Products

Metabolite: InChI=1S/C6H9NO...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1