Gusperimus

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Gusperimus

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SMILES:N=C(N)NCCCCCCC(O)=NC(O)C(O)=NCCCCNCCCN

InChI:InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)

InChI key:IDINUJSAMVOPCM-UHFFFAOYSA-N

Synonyms: ''N''-[2-[4-butylamino]-1-hydroxy-2-oxoethyl]-7-heptanamide<ref>{{cite web|title=gusperimus - Compound Summary|url=https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=55362|work=PubChem Compound|publisher=National Center for Biotechnology Information|access-date=4 July 2012|location=USA|date=27 March 2005|at=Identification}}</ref>

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 of acyclic aliphatic secondary carbon BTMR1063
Reagents

Metabolite: InChI=1S/C17H37...

Hydroxylation of acyclic aliphatic secondary carbon BTMR1063
Reagents

Metabolite: InChI=1S/C17H37...

Hydroxylation of acyclic aliphatic secondary carbon BTMR1063
Reagents

Metabolite: InChI=1S/C17H37...

Hydroxylation of acyclic aliphatic secondary carbon BTMR1063
Reagents

Metabolite: InChI=1S/C17H37...

Hydroxylation of acyclic aliphatic secondary carbon BTMR1063
Reagents

Metabolite: InChI=1S/C17H37...

Hydroxylation of acyclic aliphatic secondary carbon BTMR1063
Reagents

Metabolite: InChI=1S/C17H37...

Hydroxylation of acyclic aliphatic secondary carbon BTMR1063
Reagents

Metabolite: InChI=1S/C17H37...

N-Hydroxylation of guanidine or aminohydrazone BTMR1114
Enzymes: CYP1A2
Reagents

Metabolite: InChI=1S/C17H37...

N-Dealkylation of acyclic secondary amine BTMR1140
Reagents

Metabolite: InChI=1S/C14H27...

N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
Reagents

Metabolite: InChI=1S/C14H30...

N-Dealkylation of acyclic secondary amine BTMR1140