DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:03 UTC
Update Date	2025-03-21 18:06:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00062331
Frequency	49.8
Structure
Chemical Formula	C₁₅H₁₉N₃O₄
Molecular Mass	305.1376
SMILES	NCCCC(=O)NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O
InChI Key	KYVPHDDBIUUFEU-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds pyrroles secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid indole gamma amino acid or derivatives fatty amide 1-hydroxy-2-unsubstituted benzenoid organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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