DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:45 UTC
Update Date	2025-03-21 18:05:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00054470
Frequency	59.0
Structure
Chemical Formula	C₁₆H₁₇N₃O₄
Molecular Mass	315.1219
SMILES	NC(Cc1c[nH]c2ccccc12)C(=O)N1C(=O)CCC1C(=O)O
InChI Key	UCQWHMWJDLZDQE-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	dipeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids dicarboximides heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines n-substituted carboxylic acid imides organic oxides organonitrogen compounds organopnictogen compounds oxoprolines proline and derivatives pyrroles pyrrolidine carboxylic acids pyrrolidine-2-ones
Substituents	2-pyrrolidone carbonyl group carboxylic acid indole n-acylpyrrolidine alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound pyrrolidine carboxylic acid organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide pyrrolidine carboxylic acid imide, n-substituted pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives oxoproline alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxylic acid imide alpha-dipeptide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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