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

Synonyms: 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

Similarities

Being able to identify molecules that are similar to the one we study can allow to infer some of its properties. There are several ways of measuring the similarity between molecules, by their structure, effects, pharmacological interactions etc. In the following, you can find similar molecules according to various criterions and tools that we developed. To understand the limitations of these comparisons, it is crucial to always refer to the methodology that was used to measure those similarities. Please note: This information is provided solely for informational purposes and should not be interpreted as medical advice.

To measure structural similarity, we use the Mol2vec method, which is a neural network that processes molecules and transform them into points in spaces, such that molecules with chemically related substructures are transformed into points that are close in space.

Molecule properties

Using the KGPT Deep Learning model, we predict several property of the molecule. Predictions are grouped by the dataset that was used to get those prediction. Along with each prediction, we provide a plot that shows the distribution of predicted values on the train/test/val dataset. This gives an estimate of the reliability of the model.

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

Advanced insights

In the following we provide more advanced analysis about the interactions of a molecule with the human metabolism, docking sites etc.

Interaction of this molecule with metabolism

We use a Deep Learning model to predict the interactions of this molecule with metabolism. Refer to the source to understand the methodology.

Reactions that metabolize this molecule
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...

Reactions that metabolism produce from this molecule
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...