DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:54 UTC
Update Date	2025-03-25 00:46:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02155625
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₈ClN₃O₅S
Molecular Mass	411.0656
SMILES	Cc1cccc(C)c1NC(=O)CNc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O
InChI Key	UGRFPMVOFCFWNX-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	alpha amino acid amides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 4-halobenzoic acids alpha amino acids amino acids aminosulfonyl compounds anilides aryl chlorides benzenesulfonamides benzenesulfonyl compounds benzoic acids benzoyl derivatives carbonyl compounds chlorobenzenes halobenzoic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-arylamides organic oxides organochlorides organopnictogen compounds organosulfonamides phenylalkylamines secondary alkylarylamines secondary carboxylic acid amides vinylogous amides m-xylenes
Substituents	monocyclic benzene moiety carboxylic acid organochloride benzoyl organonitrogen compound alpha-amino acid 1-carboxy-2-haloaromatic compound benzenesulfonyl group aryl chloride chlorobenzene vinylogous amide halobenzoic acid benzenesulfonamide alpha-amino acid amide 4-halobenzoic acid m-xylene secondary aliphatic/aromatic amine aryl halide 4-halobenzoic acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide hydrocarbon derivative halobenzene amine organosulfonic acid or derivatives carbonyl group amino acid n-arylamide organosulfur compound organohalogen compound organosulfonic acid amide xylene organic oxide organopnictogen compound benzoic acid aminosulfonyl compound benzoic acid or derivatives halobenzoic acid or derivatives secondary amine carboxamide group anilide monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives phenylalkylamine benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID02155625