Glyoxylic acid

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Glyoxylic acid

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Glyoxalate, Glyoxylate

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SMILES:O=CC(=O)O

InChI:InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)

InChI key:HHLFWLYXYJOTON-UHFFFAOYSA-N

Synonyms: Oxoethanoic acid, BRN 0741891, JQ39C92HH6, 298-12-4, Kyselina glyoxylova [Czech], Kyselina glyoxylova, glyoxylate, Acetic acid, oxo-, 563-96-2, Glyoxylic acid, 50% i, Oxo-acetic acid, CCRIS 1455, Glyoxalic acid, Oxoacetic acid,glyoxylic acid, Formic acid, formyl-, 2-Oxoacetic acid(50% in water), alpha-Ketoacetic acid, GLYOXALATE, GLYOXYLATE, Formylformic acid, UNII-JQ39C92HH6, HSDB 5559, glyoxalate, Oxalaldehydic acid, OCHCOOH, 2-Oxoacetic Acid, .alpha.-Ketoacetic acid, EINECS 206-058-5, Acetic acid, 2-oxo-, oxaldehydic acid, NSC 27785

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)
2.53
TrainValTest
Description: This dataset is centered on predicting the free energy when a molecule is dissolved in water. The energy changes can affect molecular interactions in biological systems.
freesolvkcal/mol
-1.68
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
-2.50
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
Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents
Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C3H4O4...

Amine group addition 5408
Enzymes: Serine--pyruvate aminotransferase
Reagents

Metabolite: InChI=1S/C2H5NO...

Amine group addition 3367
Enzymes: Kynurenine--oxoglutarate transaminase 3
Reagents

Metabolite: InChI=1S/C10H9N...

Amine group addition 475
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Reagents

Metabolite: InChI=1S/C3H4O3...

Reactions that metabolism produce from this molecule
Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
O-Dealkylation BTMR0052
Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

O-Dealkylation BTMR0052
O-Dealkylation of dialkylether BTMR1129
Oxidation from CyProduct BTMR1330
Enzymes: Hydroxyacid oxidase 1
Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

O-Dealkylation BTMR0052
N-Dealkylation of tertiary carboxamide BTMR1139
Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

O-Dealkylation BTMR0052
O-Dealkylation BTMR0052
N-Dealkylation of tertiary carboxamide BTMR1139
N-Dealkylation of acyclic tertiary amine BTMR1142
Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

N-Dealkylation of acyclic tertiary amine BTMR1142
Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

O-Dealkylation BTMR0052
Products
Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

O-Dealkylation BTMR0052
N-Dealkylation of tertiary carboxamide BTMR1139
N-Dealkylation of acyclic tertiary amine BTMR1142
Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

N-Dealkylation of tertiary carboxamide BTMR1139
Products
N-Dealkylation of nitrosodialkylamine BTMR0084
Enzymes: CYP2A6 CYP2B6 CYP2E1
N-Dealkylation of tertiary carboxamide BTMR1139
N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of alicyclic tertiary amine BTMR1144
Products
N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

N-Dealkylation of acyclic tertiary amine BTMR1142
Products
O-Dealkylation BTMR0052
Products
N-Dealkylation of acyclic tertiary amine BTMR1142
Products
Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

N-Dealkylation of acyclic secondary amine BTMR1140
Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

O-Dealkylation BTMR0052
Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products
Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Oxidation from CyProduct BTMR1330
Enzymes: Hydroxyacid oxidase 1
Products

Metabolite: InChI=1S/C2H4O3...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

O-Dealkylation BTMR0052
Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Oxidation from CyProduct BTMR1330
Enzymes: Hydroxyacid oxidase 1
Products

Metabolite: InChI=1S/C2H4O3...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

N-Dealkylation of acyclic secondary amine BTMR1140
O-Dealkylation BTMR0052
Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

O-Dealkylation BTMR0052
O-Dealkylation BTMR0052
Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

O-Dealkylation BTMR0052
O-Dealkylation of dialkylether BTMR1129
N-Dealkylation of secondary arylalkylamine BTMR1141
O-Dealkylation BTMR0052
Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

Aldehyde oxidation BTMR0050
Enzymes: 1.2.3.1
Products
Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Products

Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
Products

Metabolite: InChI=1S/C5H6O5...

O-Dealkylation BTMR0052
Products
O-Dealkylation BTMR0052
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N-Dealkylation of acyclic tertiary amine BTMR1142
Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
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Metabolite: InChI=1S/C2H5NO...

Amine group addition 477
Enzymes: Alanine--glyoxylate aminotransferase 2, mitochondrial
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Metabolite: InChI=1S/C5H6O5...