Compound Information
Name
methylphenidate
SMILES
COC(=O)C(C1=CC=CC=C1)C2CCCCN2
InChIKey
DUGOZIWVEXMGBE-UHFFFAOYSA-N
PubChem CID
4158
Mass
233.14158 Da
ALogP
2.1801
Molecular Formula
C14H19NO2
2D Structure

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Biotransformations
Reaction Type: Hydrolysis of carboxylic acid ester (BTMR0143)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: O-Hydroxylation of monosubstituted benzene (BTMR1034)
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: Hydroxylation of benzene on carbon para to electron donating group (BTMR1047)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of heteroalicyclic secondary carbon AndFromCyProduct (BTMR9290)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of heteroalicyclic secondary carbon (BTMR1071)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation from CyProduct (BTMR1328)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: O-Hydroxylation of monosubstituted benzene (BTMR1034)
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: Hydroxylation of benzene on carbon para to electron donating group (BTMR1047)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of heteroalicyclic secondary carbon AndFromCyProduct (BTMR9290)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation of heteroalicyclic secondary carbon (BTMR1071)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydroxylation from CyProduct (BTMR1328)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: Hydrolysis of carboxylic acid ester (BTMR0143)
Biosystem: Human
Metabolic Enzyme(s):
×
Reaction Type: EAWAG_RULE_BT0023_PATTERN2 (BTMR0665)
Biosystem: Environmental microbial
Metabolic Enzyme(s):
×
Reaction Type: EAWAG_RULE_BT0024_PATTERN1 (BTMR0666)
Biosystem: Environmental microbial
Metabolic Enzyme(s):
×
Reaction Type: Hydrolysis of carboxylic acid ester (BTMR0143)
Biosystem: Gut microbial environment
Metabolic Enzyme(s):
×
Reaction Type: Carboxylic Acid Ester Hydrolysis (BTMR9008)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation (BTMR9133)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation to Alcohol (BTMR9134)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation to Carbonyl (BTMR9135)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation O-adding to ring Pattern_1 (BTMR9075)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation O-adding to ring Pattern_2 (BTMR9076)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation secondary amines_M1 (BTMR9095)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Chlorination of aliphatic amines_Pattern1 (BTMR9115)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Carboxylic Acid Ester Hydrolysis (BTMR9008)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation (BTMR9133)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation to Alcohol (BTMR9134)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation to Carbonyl (BTMR9135)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation O-adding to ring Pattern_1 (BTMR9075)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation O-adding to ring Pattern_2 (BTMR9076)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation secondary amines_M1 (BTMR9095)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Chlorination of aliphatic amines_Pattern1 (BTMR9115)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Carboxylic Acid Ester Hydrolysis (BTMR9008)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation (BTMR9133)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation to Alcohol (BTMR9134)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation to Carbonyl (BTMR9135)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation O-adding to ring Pattern_1 (BTMR9075)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation O-adding to ring Pattern_2 (BTMR9076)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation secondary amines_M1 (BTMR9095)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Chlorination of aliphatic amines_Pattern1 (BTMR9115)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Carboxylic Acid Ester Hydrolysis (BTMR9008)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation (BTMR9133)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation to Alcohol (BTMR9134)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation to Carbonyl (BTMR9135)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation O-adding to ring Pattern_1 (BTMR9075)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation O-adding to ring Pattern_2 (BTMR9076)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation secondary amines_M1 (BTMR9095)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Chlorination of aliphatic amines_Pattern1 (BTMR9115)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Carboxylic Acid Ester Hydrolysis (BTMR9008)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation (BTMR9133)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation to Alcohol (BTMR9134)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation to Carbonyl (BTMR9135)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation O-adding to ring Pattern_1 (BTMR9075)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation O-adding to ring Pattern_2 (BTMR9076)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation secondary amines_M1 (BTMR9095)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Chlorination of aliphatic amines_Pattern1 (BTMR9115)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Carboxylic Acid Ester Hydrolysis (BTMR9008)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation (BTMR9133)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation to Alcohol (BTMR9134)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation to Carbonyl (BTMR9135)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation O-adding to ring Pattern_1 (BTMR9075)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation O-adding to ring Pattern_2 (BTMR9076)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation secondary amines_M1 (BTMR9095)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Chlorination of aliphatic amines_Pattern1 (BTMR9115)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Carboxylic Acid Ester Hydrolysis (BTMR9008)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation (BTMR9133)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation to Alcohol (BTMR9134)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Aromatic Acetic Acid Photodecarboxylation to Carbonyl (BTMR9135)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation O-adding to ring Pattern_1 (BTMR9075)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation O-adding to ring Pattern_2 (BTMR9076)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Ozonation secondary amines_M1 (BTMR9095)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×
Reaction Type: Chlorination of aliphatic amines_Pattern1 (BTMR9115)
Biosystem: Abiotic transformation
Metabolic Enzyme(s):
×