DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:26 UTC
Update Date	2025-03-25 00:55:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02213931
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₆Cl₂N₂O₅S
Molecular Mass	382.0157
SMILES	CCN(CC)S(=O)(=O)c1cc(C(=O)NCC(=O)O)c(Cl)cc1Cl
InChI Key	GDNLWGWFLYRRBC-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 homomonocyclic compounds
Alternative Parents	2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives alpha amino acids aminosulfonyl compounds aryl chlorides benzenesulfonamides benzenesulfonyl compounds benzoyl derivatives carbonyl compounds carboxylic acids dichlorobenzenes hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organochlorides organonitrogen compounds organopnictogen compounds organosulfonamides secondary carboxylic acid amides vinylogous halides
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid organochloride benzoyl organosulfur compound organohalogen compound benzamide 1,3-dichlorobenzene organosulfonic acid amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound benzenesulfonyl group aryl chloride chlorobenzene benzenesulfonamide aminosulfonyl compound hippuric acid or derivatives benzoic acid or derivatives halobenzoic acid or derivatives carboxamide group vinylogous halide n-acylglycine 2-halobenzoic acid or derivatives aryl halide 4-halobenzoic acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound halobenzene organooxygen compound

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