Phe

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Phe

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pubchem

Phenylalanine

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drugmap

L-Phenylalanine

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drugmap

L-Phenylalanine

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wiki

Phenylalanine

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SMILES:NC(CC1=CC=CC=C1)C(=O)O

InChI:InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)

InChI key:COLNVLDHVKWLRT-UHFFFAOYSA-N

Sinónimos: Fenilalanina [Spanish], Phenylalanine,(S), L-Antibiotic FN 1636, CB 3208, 3-Phenyl-L-alanine, (S)-(-)-Phenylalanine, Phenylalanine, Phenylalaninum, NCI9959, Phenylalanine D-form, (S)-alpha-Amino-benzenepropanoic acid, 1F9436B3-8B0D-4AC6-A004-4249B0BDA436, l-3-phenylalanine, Phenylalanine,d-, D-.beta.-Phenylalanine, CCRIS 6267, (R)-2-AMINO-3-PHENYLPROPANOIC ACID, CHEBI:16998, Alanine, phenyl-, D-, 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoic acid, Phenylalanine (VAN), Alpha-Aminohydrocinnamic acid, N-Formyl-L-p-sarcolysin, Beta-Phenyl-L-alanine, L-Phenylalanine (JP15),phenylalanine, 3-Phenylalanine, N-Formyl-L-sarcolysin, HDPheOH, (D)-Phenylalanine, Phenylalanine (USP/INN),D-phenylalanine, (L)-Phenylalanine, D-Phenylalanine, 99+%, (R)-2-Amino-3-phenylpropionic acid, 032K16VRCU,Phenylalanine, (2S)-2-amino-3-phenylpropanoic acid, L-3-(p-(Bis(2-chloroethyl)amino)phenyl)-N-formylalanine, 673-06-3,D-Phenylalanine, (2R)-2-amino-3-phenylpropanoic acid, DPhe, L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-formyl-(9CI), NCI-C60195, EINECS 211-603-5, Fenilalanina, N-Formylmelphalan, D-alpha-Amino-beta-phenylpropionic acid,Endophenyl, COLNVLDHVKWLRT-MRVPVSSYSA-N, Phenylalanine [USAN:INN:JAN], d-phenylalanin, (S)-alpha-Amino-beta-phenylpropionic acid, Phe, (S)-Phenylalanine, MFCD00004270, UNII-032K16VRCU, Sabiden, L-PHENYL ALANINE (SEE ALSO 22839-47-0, ASPARTAME, L-PHENYLALININE, D-Phe, Phenylalaninum [Latin],Phe, (S)-2-Amino-3-phenylpropionic acid, Beta-Phenylalanine, Antibiotic FN 1636, H-D-Phe-OH, NSC 25005, H-Phe-OH, (S)-alpha-Aminohydrocinnamic acid, (S)-2-Amino-3-phenylpropanoic 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)
0.90
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
-2.63
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
-2.76
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
Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Peroxidation 4901
Enzimas: Peroxiredoxin-6
Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Decarboxylation of aromatic L-amino acid BTMR1288
Enzimas: 4.1.1.28
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation of aromatic L-amino acid BTMR1288
Enzimas: 4.1.1.28
Hydroxylation on phenylalanine benzene rine BTMR1345
Enzimas: 1.14.16.1
Reagents

Metabolite: InChI=1S/C9H11N...

Glycine conjugation BTMR1325
Enzimas: 2.3.1.13
Reagents

Metabolite: InChI=1S/C11H14...

Carnitine conjugation BTMR1324
Enzimas: 2.3.1.7
Reagents

Metabolite: InChI=1S/C16H24...

O-Hydroxylation of monosubstituted benzene BTMR1034
Hydroxylation of non-terminal aliphatic carbon adjacent to aromatic ring BTMR1077
Reagents

Metabolite: InChI=1S/C9H11N...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Hydroxylation from CyProduct BTMR1328
Enzimas: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

Metabolite: InChI=1S/C8H11N...

Decarboxylation 1554
Enzimas: Aromatic-L-amino-acid decarboxylase
Reagents

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

Oxidation from CyProduct BTMR1330
Enzimas: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzimas: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzimas: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Reacciones que el metabolismo produce a partir de esta molécula
Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Degradation of aliphatic nitrile to carboxylic acid BTMR1258
Enzimas: 3.5.5.7
Products
Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Peptide hydrolysis 193
Enzimas: Angiotensin-converting enzyme 2
Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

3'-Dehydroxylation of substituted benzene BTMR1314
Enzimas: Unspecified bacterial dehydroxylase
Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C5H10N...

Amine group addition 3359
Enzimas: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...