DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:41 UTC
Update Date	2025-03-25 00:51:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186945
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₁N₃O₇S
Molecular Mass	471.11
SMILES	NS(=O)(=O)c1cccc2cc(Nc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)ccc12
InChI Key	ICKPZAPYEABHQQ-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	glutamic acid and derivatives
Geometric Descriptor	aromatic homopolycyclic compounds
Alternative Parents	1-naphthalene sulfonamides 1-naphthalene sulfonic acids and derivatives alpha amino acids amino acids aminosulfonyl compounds benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds organosulfonamides secondary amines secondary carboxylic acid amides
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl organosulfur compound benzamide 1-naphthalene sulfonic acid or derivatives organosulfonic acid amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives naphthalene sulfonic acid or derivatives aminosulfonyl compound n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives aromatic homopolycyclic compound naphthalene sulfonamide glutamic acid or derivatives secondary amine carboxamide group secondary carboxylic acid amide sulfonyl naphthalene organic oxygen compound organic sulfonic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound 1-naphthalene sulfonamide organooxygen compound amine

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