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
1-Acyl hydrolysis of triacylglycerol BTMR0516
Enzymes: 3.1.1.3
1-Acyl hydrolysis of triacylglycerol BTMR0516
Enzymes: 3.1.1.3
Reagents

Metabolite: InChI=1S/C17H32...

Hydroxylation of antepenultimate aliphatic secondary carbon BTMR1072
Enzymes: CYP1A2 CYP2E1
Reagents

Metabolite: InChI=1S/C24H44...

Hydroxylation of antepenultimate aliphatic secondary carbon BTMR1072
Enzymes: CYP1A2 CYP2E1
Reagents

Metabolite: InChI=1S/C24H44...

Hydroxylation of penultimate aliphatic secondary carbon BTMR1074
Reagents

Metabolite: InChI=1S/C24H44...

Hydroxylation of penultimate aliphatic secondary carbon BTMR1074
Reagents

Metabolite: InChI=1S/C24H44...

Hydroxylation of terminal methyl BTMR1061
Reagents

Metabolite: InChI=1S/C24H44...

Hydroxylation of terminal methyl BTMR1061
Reagents

Metabolite: InChI=1S/C24H44...

Terminal desaturation BTMR1190
Reagents

Metabolite: InChI=1S/C24H42...

Terminal desaturation BTMR1190
Reagents

Metabolite: InChI=1S/C24H42...

alpha-Hydroxylation of carbonyl group BTMR1054
Reagents

Metabolite: InChI=1S/C24H44...

alpha-Hydroxylation of carbonyl group BTMR1054
Reagents

Metabolite: InChI=1S/C24H44...

Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Reagents

Metabolite: InChI=1S/C17H32...

Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Reagents

Metabolite: InChI=1S/C7H14O...

Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Reagents

Metabolite: InChI=1S/C17H32...