Pregnenolone succinate

wiki

Pregnenolone succinate

Verificar en wiki

SMILES:CC(=O)C1CCC2C3CC=C4CC(OC(=O)CCC(=O)O)CCC4(C)C3CCC12C

InChI:InChI=1S/C25H36O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h4,17-21H,5-14H2,1-3H3,(H,27,28)

InChI key:OZZAYJQNMKMUSD-UHFFFAOYSA-N

Categorías (no exhaustivas):

Perspectivas avanzadas

En lo siguiente, proporcionamos un análisis más avanzado sobre las interacciones de una molécula con el metabolismo humano, sitios de acoplamiento, etc.

Interacción de esta molécula con el metabolismo

Utilizamos un modelo de Aprendizaje Profundo para predecir las interacciones de esta molécula con el metabolismo. Consulta la fuente para entender la metodología.

Reacciones que metabolizan esta molécula
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Reagents
isomerdesign

3β-Hydroxypregn-5-en-20-one

drugmap

Pregnenolone

wiki

Pregnenolone

wiki

Pregnenolone (medication)

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Reagents
pubchem

Succinic Acid

drugmap

Succinic acid

16-Hydroxylation of sterol BTMR0407
Reagents

Metabolite: InChI=1S/C25H36...

21-Hydroxylation of sterol BTMR0396
Reagents

Metabolite: InChI=1S/C25H36...

2-Hydroxylation of sterol BTMR0398
Reagents

Metabolite: InChI=1S/C25H36...

4-Hydroxylation of sterol BTMR0400
Enzimas: CYP1A2 CYP3A4
Reagents

Metabolite: InChI=1S/C25H36...

Hydroxylation of methyl carbon adjacent to aliphatic ring BTMR0054
Reagents

Metabolite: InChI=1S/C25H36...

Hydroxylation of methyl carbon adjacent to aliphatic ring BTMR0054
Reagents

Metabolite: InChI=1S/C25H36...

Reduction of ketone to alcohol BTMR1171
Enzimas: CYP2C9
Reagents

Metabolite: InChI=1S/C25H38...

O-Glucuronidation of aliphatic acid BTMR0167
Enzimas: 2.4.1.17
Reagents

Metabolite: InChI=1S/C31H44...

Glycine conjugation BTMR1325
Enzimas: 2.3.1.13
Reagents

Metabolite: InChI=1S/C27H39...