DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:12:58 UTC
Update Date	2025-03-21 18:32:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00093145
Frequency	30.0
Structure
Chemical Formula	C₁₄H₁₄ClN₃O₆S
Molecular Mass	387.0292
SMILES	NS(=O)(=O)c1cc(C(=O)NCC(=O)O)c(NCc2ccco2)cc1Cl
InChI Key	IHNQHGCZMBGGDL-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 heteromonocyclic compounds
Alternative Parents	4-halobenzoic acids and derivatives alpha amino acids amino acids aminosulfonyl compounds aryl chlorides benzenesulfonamides benzenesulfonyl compounds benzoyl derivatives carbonyl compounds carboxylic acids chlorobenzenes furans heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organochlorides organopnictogen compounds organosulfonamides oxacyclic compounds phenylalkylamines secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid organochloride benzoyl organonitrogen compound alpha-amino acid organoheterocyclic compound benzenesulfonyl group aryl chloride chlorobenzene vinylogous amide benzenesulfonamide heteroaromatic compound n-acylglycine secondary aliphatic/aromatic amine aryl halide 4-halobenzoic acid or derivatives secondary carboxylic acid amide hydrocarbon derivative halobenzene amine furan organosulfonic acid or derivatives carbonyl group aromatic heteromonocyclic compound amino acid organosulfur compound organohalogen compound benzamide organosulfonic acid amide organic oxide organopnictogen compound aminosulfonyl compound hippuric acid or derivatives benzoic acid or derivatives halobenzoic acid or derivatives secondary amine carboxamide group oxacycle monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives phenylalkylamine benzenoid organic nitrogen compound organooxygen compound

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