DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:49 UTC
Update Date	2025-03-25 00:55:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02210099
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉N₃O₅
Molecular Mass	321.1325
SMILES	CC(O)C(NC(=O)C(N)Cc1c[nH]c2c(O)cccc12)C(=O)O
InChI Key	DCWUFIFZSHNOBZ-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	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acid amides alpha amino acids azacyclic compounds benzenoids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds pyrroles secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid indole fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives beta-hydroxy acid organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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