DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:19:44 UTC
Update Date	2025-03-21 18:36:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00109689
Frequency	24.4
Structure
Chemical Formula	C₁₉H₁₆N₂O₆S
Molecular Mass	400.0729
SMILES	O=C(O)CNC(=O)c1ccc(Nc2cccc3cccc(S(=O)(=O)O)c23)cc1
InChI Key	JRUDMRISUKTRAM-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	acyl glycines
Geometric Descriptor	aromatic homopolycyclic compounds
Alternative Parents	1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds alpha amino acids amino acids arylsulfonic acids and derivatives benzoyl derivatives carbonyl compounds carboxylic acids hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds organosulfonic acids secondary amines secondary carboxylic acid amides sulfonyls
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid amino acid organosulfonic acid benzoyl organosulfur compound benzamide 1-naphthalene sulfonic acid or derivatives 1-naphthalene sulfonate organic oxide organonitrogen compound alpha-amino acid organopnictogen compound naphthalene sulfonic acid or derivatives 1-sulfo,2-unsubstituted aromatic compound hippuric acid or derivatives benzoic acid or derivatives aromatic homopolycyclic compound secondary amine carboxamide group n-acylglycine secondary carboxylic acid amide monocarboxylic acid or derivatives sulfonyl naphthalene organic oxygen compound arylsulfonic acid or derivatives organic sulfonic acid or derivatives naphthalene sulfonate hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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