DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:04 UTC
Update Date	2025-03-25 00:54:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205955
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₄N₂O₇S
Molecular Mass	318.0522
SMILES	NC(CCC(=O)Nc1ccc(O)cc1S(=O)(=O)O)C(=O)O
InChI Key	XPMCVLISXKXPCF-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	glutamine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-sulfo,2-unsubstituted aromatic compounds alpha amino acids anilides arylsulfonic acids and derivatives benzenesulfonic acids and derivatives benzenesulfonyl compounds carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds organosulfonic acids secondary carboxylic acid amides sulfonyls
Substituents	fatty acyl organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives organosulfonic acid fatty amide 1-hydroxy-2-unsubstituted benzenoid n-arylamide benzenesulfonate organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound benzenesulfonyl group 1-sulfo,2-unsubstituted aromatic compound carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives sulfonyl organic oxygen compound arylsulfonic acid or derivatives organic sulfonic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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