Compound Information
Name
PROPICONAZOLE
SMILES
CCCC1COC(CN2C=NC=N2)(C3=CC=C(Cl)C=C3Cl)O1
InChIKey
STJLVHWMYQXCPB-UHFFFAOYSA-N
PubChem CID
43234
Mass
341.06978 Da
ALogP
3.8006
Molecular Formula
C15H17Cl2N3O2
2D Structure

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Biotransformations
Reaction Type: Hydroxylation of antepenultimate aliphatic secondary carbon (BTMR1072)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of aromatic carbon para to halide group (BTMR1041)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of penultimate aliphatic secondary carbon (BTMR1074)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of heteroalicyclic secondary carbon (BTMR1071)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of terminal methyl (BTMR1061)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Terminal desaturation (BTMR1190)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of aromatic carbon ortho to halide group (BTMR1040)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of aromatic carbon meta to halide group (BTMR1039)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation from CyProduct (BTMR1328)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of antepenultimate aliphatic secondary carbon (BTMR1072)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of aromatic carbon para to halide group (BTMR1041)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of penultimate aliphatic secondary carbon (BTMR1074)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of heteroalicyclic secondary carbon (BTMR1071)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of terminal methyl (BTMR1061)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Terminal desaturation (BTMR1190)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of aromatic carbon ortho to halide group (BTMR1040)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of aromatic carbon meta to halide group (BTMR1039)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation from CyProduct (BTMR1328)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: N-Glucuronidation of azole (BTMR0177)
Biosystem: Gut microbial environment
Metabolic Enzyme(s):
×
Reaction Type: EAWAG_RULE_BT0023_PATTERN1 (BTMR0664)
Biosystem: Environmental microbial
Metabolic Enzyme(s):
×
Reaction Type: EAWAG_RULE_BT0029 (BTMR0671)
Biosystem: Environmental microbial
Metabolic Enzyme(s):
×
Reaction Type: EAWAG_RULE_BT0073 (BTMR0712)
Biosystem: Environmental microbial
Metabolic Enzyme(s):
×
Reaction Type: Hydrolytic dechlorination (BTMR13471)
Biosystem: Environmental microbial
Metabolic Enzyme(s):
×
Reaction Type: Hydrogenolysis (BTMR9022)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Hydrogenolysis (BTMR9022)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Hydrogenolysis (BTMR9022)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Hydrogenolysis (BTMR9022)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Hydrogenolysis (BTMR9022)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Hydrogenolysis (BTMR9022)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of antepenultimate aliphatic secondary carbon (BTMR1072)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of aromatic carbon para to halide group (BTMR1041)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of penultimate aliphatic secondary carbon (BTMR1074)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of heteroalicyclic secondary carbon (BTMR1071)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of terminal methyl (BTMR1061)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Terminal desaturation (BTMR1190)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of aromatic carbon ortho to halide group (BTMR1040)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of aromatic carbon meta to halide group (BTMR1039)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation from CyProduct (BTMR1328)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydrogenolysis (BTMR9022)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Hydrogenolysis (BTMR9022)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Hydrogenolysis (BTMR9022)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×