Fluorodopa

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Fluorodopa

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SMILES:NC(CC1=CC(O)=C(O)C=C1F)C(=O)O

InChI:InChI=1S/C9H10FNO4/c10-5-3-8(13)7(12)2-4(5)1-6(11)9(14)15/h2-3,6,12-13H,1,11H2,(H,14,15)

InChI key:PAXWQORCRCBOCU-UHFFFAOYSA-N

Categories (non-exhaustive):

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

6F-DA

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

Formic Acid

drugmap

Formic Acid

Glycine conjugation BTMR1325
Enzymes: 2.3.1.13
Reagents

Metabolite: InChI=1S/C11H13...

Aromatic OH-glucuronidation BTMR0166
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C15H18...

Aromatic OH-glucuronidation BTMR0166
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C15H18...

Sulfonation of phenolic compound BTMR1376
Enzymes: 2.8.2.1
Reagents

Metabolite: InChI=1S/C9H10F...

Sulfonation of phenolic compound BTMR1376
Enzymes: 2.8.2.1
Reagents

Metabolite: InChI=1S/C9H10F...

Carnitine conjugation BTMR1324
Enzymes: 2.3.1.7
Reagents

Metabolite: InChI=1S/C16H23...

Methylation of phenolic compound BTMR1377
Enzymes: 2.1.1.25
Reagents

Metabolite: InChI=1S/C10H12...

Methylation of phenolic compound BTMR1377
Enzymes: 2.1.1.25
Reagents

Metabolite: InChI=1S/C10H12...

Hydroxylation of non-terminal aliphatic carbon adjacent to aromatic ring BTMR1077
Reagents

Metabolite: InChI=1S/C9H10F...

Hydroxylation of aromatic carbon ortho to halide group BTMR1040
Reagents

Metabolite: InChI=1S/C9H10F...

Hydroxylation of aromatic carbon meta to halide group BTMR1039
Reagents

Metabolite: InChI=1S/C9H10F...