DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:19 UTC
Update Date	2025-03-21 18:41:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00134775
Frequency	18.7
Structure
Chemical Formula	C₂₅H₃₁N₃O₃S
Molecular Mass	453.2086
SMILES	CN(C)C(Cc1ccccc1)C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChI Key	KYXIIXLUHOMQGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	phenylbutylamines
Direct Parent	phenylbutylamines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1,2-aminoalcohols aminosulfonyl compounds amphetamines and derivatives benzenesulfonamides benzenesulfonyl compounds hydrocarbon derivatives organic oxides organopnictogen compounds organosulfonamides primary amines secondary alcohols trialkylamines
Substituents	organosulfonic acid or derivatives organosulfur compound organosulfonic acid amide organic oxide phenylbutylamine organonitrogen compound organopnictogen compound tertiary amine amphetamine or derivatives benzenesulfonyl group alcohol benzenesulfonamide aminosulfonyl compound 1,2-aminoalcohol tertiary aliphatic amine aromatic homomonocyclic compound sulfonyl organic oxygen compound organic sulfonic acid or derivatives secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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