Pyruvic acid

drugmap

Pyruvic acid

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

InChI:InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)

InChI key:LCTONWCANYUPML-UHFFFAOYSA-N

Sinónimos: 2-Oxopropionic acid, 2-Oxopropanoate, Pyruvic acid (8CI), P-9250, Acetylformic acid, 2-oxo-propionic acid, Alpha-Oxopropionsaeure, 2-Oxopropionsaeure, Pyroracemic acid, A-Ketopropionic acid, Alpha-ketopropionic acid, Alpha-Ketopropionic acid, 2-Oxopropansaeure,BTS, Propanoic acid, 2-oxo-(9CI), Pyruvic acid (natural), 2-oxo(1-14c)propanoic acid, Brenztraubensaeure, 2-Oxopropanoic acid, CH3COCOOH, 2-Ketopropionic acid, Alpha-keto propionic acid, Acide pyruvique

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)
2.39
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
-1.63
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
-2.37
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
Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
Reagents

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

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C4H6O3...

Amine group addition 476
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H7NO...

Amine group addition 5405
Enzimas: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Carboxylation 5006
Enzimas: Pyruvate carboxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C4H4O5...

Reacciones que el metabolismo produce a partir de esta molécula
Amine group addition 732
Enzimas: Alanine aminotransferase 1
Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

O-Dealkylation BTMR0052
Products
N-Dealkylation of acyclic secondary amine BTMR1140
Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

O-Dealkylation BTMR0052
Products
Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

O-Dealkylation BTMR0052
Products
O-Dealkylation BTMR0052
N-Dealkylation of acyclic secondary amine BTMR1140
Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

N-Dealkylation of acyclic secondary amine BTMR1140
Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Hydrolysis of bond 2173
Enzimas: Acylpyruvase FAHD1, mitochondrial
Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 4062
Enzimas: N-acetylneuraminate lyase
Products
Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Probable D-lactate dehydrogenase, mitochondrial
Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Oxidation of secondary alcohol to ketone BTMR0079
Products

Metabolite: InChI=1S/C3H6O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C2H2O3...

Non-hydrolytic bond cleavage (or its reversal) 5260
Enzimas: L-serine dehydratase/L-threonine deaminase
Products

Metabolite: InChI=1S/C3H7NO...

Amine group addition 475
Enzimas: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C3H7NO...

Redox reaction 3578
Enzimas: NAD-dependent malic enzyme, mitochondrial
Products

Metabolite: InChI=1S/C4H4O5...

Racemization 5411
Enzimas: Serine racemase
Products

Metabolite: InChI=1S/C3H7NO...

Non-hydrolytic bond cleavage (or its reversal) 1239
Enzimas: Cystathionine gamma-lyase
Products

Metabolite: InChI=1S/C3H7NO...

Phosphorylation 18203
Enzimas: Pyruvate kinase isozymes M1/M2
Products

Metabolite: InChI=1S/C3H5O6...

Sulfuration 5634
Enzimas: 3-mercaptopyruvate sulfurtransferase
Products

Metabolite: InChI=1S/C3H4O3...

Amine group addition 732
Enzimas: Alanine aminotransferase 1
Products

Metabolite: InChI=1S/C5H6O5...