DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:05 UTC
Update Date	2025-03-25 00:54:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208318
Frequency	0.5
Structure
Chemical Formula	C₂₉H₃₈N₄O₆S
Molecular Mass	570.2512
SMILES	CC(C)CN(CC(O)C(Cc1ccc(O)cc1)NC(=O)C(N)Cc1ccc(O)cc1)S(=O)(=O)c1ccc(N)cc1
InChI Key	IVXROCGGWMMPLX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids aminosulfonyl compounds amphetamines and derivatives benzenesulfonamides benzenesulfonyl compounds carbonyl compounds carboxylic acids and derivatives fatty amides hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds organosulfonamides phenylalanine and derivatives phenylbutylamines secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group fatty amide 1-hydroxy-2-unsubstituted benzenoid organosulfur compound organosulfonic acid amide organic oxide phenylbutylamine organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives benzenesulfonyl group alcohol benzenesulfonamide tyrosine or derivatives alpha-amino acid amide aminosulfonyl compound carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide sulfonyl phenylalanine or derivatives organic oxygen compound organic sulfonic acid or derivatives secondary alcohol phenol hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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