Phe

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Phe

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Phenylalanine

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L-Phenylalanine

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L-Phenylalanine

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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

Synonymes: 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

Similarités

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

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

Propriétés moléculaires

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

Description: A dataset focused on predicting the inhibitory effects of molecules on the enzyme beta-secretase 1 (BACE1). BACE1 inhibition is a potential target for Alzheimer's disease treatment.
Class
TrainValTest
2.88-3.70-1.36
Description: A dataset providing insights on the ability of molecules to penetrate the blood-brain barrier. Crucial for understanding the potential of molecules as central nervous system drugs.
p_np
TrainValTest
-2.24-3.290.40
Description: This dataset deals with the FDA approval status and clinical trial toxicity of molecules. Important for understanding the safety and regulatory status of compounds.
CT_TOX
TrainValTest
-0.49-0.78-0.91
FDA_APPROVED
TrainValTest
0.53-1.27-0.50
Description: A dataset that predicts the solubility of molecules in water. Solubility is an essential property influencing bioavailability and the potential formulation of a drug.
logSolubilitylog(mol/L)
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

Perspectives avancées

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

Interaction de cette molécule avec le métabolisme

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

Réactions qui métabolisent cette molécule
Hydroxylation from CyProduct BTMR1328
Enzymes: Phenylalanine-4-hydroxylase
Decarboxylation 1554
Enzymes: Aromatic-L-amino-acid decarboxylase
Decarboxylation 1554
Enzymes: Aromatic-L-amino-acid decarboxylase
Oxidation from CyProduct BTMR1330
Enzymes: L-amino-acid oxidase
Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Peroxidation 4901
Enzymes: Peroxiredoxin-6
Hydroxylation from CyProduct BTMR1328
Enzymes: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C8H11N...

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

Metabolite: InChI=1S/C9H11N...

Glycine conjugation BTMR1325
Enzymes: 2.3.1.13
Reagents

Metabolite: InChI=1S/C11H14...

Carnitine conjugation BTMR1324
Enzymes: 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
Enzymes: Phenylalanine-4-hydroxylase
Reagents

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

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

Metabolite: InChI=1S/C9H11N...

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

Metabolite: InChI=1S/C8H11N...

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

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

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

Metabolite: InChI=1S/C9H8O3...

Amine group addition 116
Enzymes: Aspartate aminotransferase, cytoplasmic
Reagents

Metabolite: InChI=1S/C5H9NO...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

Metabolite: InChI=1S/C8H9NO...

Réactions qui produisent du métabolisme à partir de cette molécule
Amine group addition 3359
Enzymes: Kynurenine--oxoglutarate transaminase 1
Amine group addition 3359
Enzymes: Kynurenine--oxoglutarate transaminase 1
Amine group addition 3359
Enzymes: Kynurenine--oxoglutarate transaminase 1
Products

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C5H10N...

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

Metabolite: InChI=1S/C9H8O3...