DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:51 UTC
Update Date	2025-03-25 00:52:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194005
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₉ClN₄O₅S
Molecular Mass	390.0765
SMILES	CN1CCN(c2cc(Cl)c(S(N)(=O)=O)cc2C(=O)NCC(=O)O)CC1
InChI Key	JPJYXNPZZNCQRK-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	2-aminobenzamides 4-halobenzoic acids and derivatives alpha amino acids amino acids aminobenzenesulfonamides aminosulfonyl compounds aniline and substituted anilines anthranilamides aryl chlorides azacyclic compounds benzenesulfonyl compounds benzoyl derivatives carbonyl compounds carboxylic acids chlorobenzenes dialkylarylamines hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-arylpiperazines n-methylpiperazines organic oxides organochlorides organopnictogen compounds organosulfonamides phenylpiperazines secondary carboxylic acid amides trialkylamines vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid organochloride 2-aminobenzamide benzoyl organonitrogen compound alpha-amino acid aminobenzoic acid or derivatives organoheterocyclic compound benzenesulfonyl group aryl chloride chlorobenzene vinylogous amide benzenesulfonamide azacycle n-alkylpiperazine tertiary aliphatic amine n-acylglycine aryl halide phenylpiperazine 4-halobenzoic acid or derivatives secondary carboxylic acid amide anthranilamide hydrocarbon derivative halobenzene amine organosulfonic acid or derivatives carbonyl group aminobenzenesulfonamide aromatic heteromonocyclic compound amino acid organosulfur compound organohalogen compound benzamide organosulfonic acid amide organic oxide piperazine tertiary aliphatic/aromatic amine organopnictogen compound dialkylarylamine tertiary amine aminosulfonyl compound hippuric acid or derivatives aniline or substituted anilines n-methylpiperazine benzoic acid or derivatives halobenzoic acid or derivatives carboxamide group aminobenzamide monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives 1,4-diazinane benzenoid organic nitrogen compound n-arylpiperazine organooxygen compound

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