Aceburic acid

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Aceburic acid

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SMILES:CC(=O)OCCCC(=O)O

InChI:InChI=1S/C6H10O4/c1-5(7)10-4-2-3-6(8)9/h2-4H2,1H3,(H,8,9)

InChI key:GOVNVPJYMDJYSR-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
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Reagents
pubchem

Acetic Acid

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Acetic Acid, Glacial

Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Reagents
psychonaut

GHB

tripsit

ghb

isomerdesign

GHB

pubchem

4-Hydroxybutanoic acid

druglab

GHB

drugmap

Gamma hydroxybutyric acid

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Gamma-Hydroxybutyric acid

Hydroxylation of acyclic aliphatic secondary carbon BTMR1063
Reagents

Metabolite: InChI=1S/C6H10O...

alpha-Hydroxylation of carbonyl group BTMR1054
Reagents

Metabolite: InChI=1S/C6H10O...

alpha-Hydroxylation of carbonyl group BTMR1054
Reagents

Metabolite: InChI=1S/C6H10O...

O-Glucuronidation of aliphatic acid BTMR0167
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C12H18...

Glycine conjugation BTMR1325
Enzymes: 2.3.1.13
Reagents

Metabolite: InChI=1S/C8H13N...

Reactions that metabolism produce from this molecule
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
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Ethyl acetoxy butanoate