DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:15 UTC
Update Date	2025-03-25 00:48:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169855
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₅N₃O₅S
Molecular Mass	301.0732
SMILES	CCNCC(=O)Nc1ccc(S(N)(=O)=O)cc1C(=O)O
InChI Key	BQSSIMLSBUPVQJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	acylaminobenzoic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds alpha amino acid amides alpha amino acids amino acids aminosulfonyl compounds anilides benzenesulfonamides benzenesulfonyl compounds benzoic acids benzoyl derivatives carbonyl compounds dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds organosulfonamides secondary carboxylic acid amides vinylogous amides
Substituents	organosulfonic acid or derivatives carbonyl group carboxylic acid amino acid or derivatives amino acid benzoyl n-arylamide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organosulfonic acid amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid benzenesulfonyl group vinylogous amide secondary aliphatic amine acylaminobenzoic acid or derivatives benzenesulfonamide alpha-amino acid amide aminosulfonyl compound secondary amine carboxamide group n-substituted-alpha-amino acid aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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