DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:58 UTC
Update Date	2025-03-21 18:41:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00133993
Frequency	18.8
Structure
Chemical Formula	C₁₃H₁₇N₃O₅
Molecular Mass	295.1168
SMILES	NCCC(=O)NC(CC(=O)c1cccc(O)c1N)C(=O)O
InChI Key	YLAGSCRZDZSHJE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl-phenylketones alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives beta amino acids and derivatives butyrophenones carboxylic acids gamma-keto acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid benzoyl 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives vinylogous amide n-acyl-alpha-amino acid 1-hydroxy-4-unsubstituted benzenoid carboxamide group beta amino acid or derivatives phenylketone gamma-keto acid butyrophenone aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound keto acid hybrid peptide phenol hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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