Compound Information
Name
sumatriptan
SMILES
CNS(CC1=CC=C2C(=C1)C(=CN2)CCN(C)C)(=O)=O
InChIKey
KQKPFRSPSRPDEB-UHFFFAOYSA-N
PubChem CID
5358
Mass
295.13545 Da
ALogP
1.4363
Molecular Formula
C14H21N3O2S
2D Structure

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Biotransformations
Reaction Type: Hydrolysis/hydration of aliphatic and aromatic nitrile (BTMR1351)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Transamination of aromatic amino acid (BTMR0478)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: epimerization of enol to keto (BTMR13701)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Aromatic hydroxylation of fused benzene ring (BTMR1030)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Aromatic hydroxylation of fused benzene ring (BTMR1031)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: EAWAG_RULE_BT0440 (BTMR0946)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: EAWAG_RULE_BT0441 (BTMR0873)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Isoflavanone C-ring fission (BTMR1292)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: N-Glucuronidation of sulfonamide (BTMR0170)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: N-Glucuronidation of tertiary aliphatic amine (BTMR0244)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of non-terminal aliphatic carbon adjacent to aromatic ring (BTMR1077)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Aromatic hydroxylation of fused benzene ring (BTMR1030)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: N-Oxidation of aliphatic tertiary amine AndFromCyProduct (BTMR9293)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Aromatic hydroxylation of fused benzene ring (BTMR1031)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Aromatic hydroxylation of fused benzene ring (BTMR1032)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: N-Dealkylation of acyclic tertiary amine AndFromCyProduct (BTMR9315)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Aliphatic hydroxylation of carbon alpha to secondary or tertiary alkyl-N AndFromCyProduct (BTMR9291)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: N-Dealkylation from CyProduct (BTMR1332)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: N-Glucuronidation of sulfonamide (BTMR0170)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: N-Glucuronidation of tertiary aliphatic amine (BTMR0244)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: N-Glucuronidation of sulfonamide (BTMR0170)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: N-Glucuronidation of tertiary aliphatic amine (BTMR0244)
Biosystem: Human
Metabolic Enzyme(s):
×