DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:57 UTC
Update Date	2025-03-25 01:01:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02251604
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₉N₃O₅
Molecular Mass	345.1325
SMILES	O=CNC(Cc1c[nH]c2ccccc12)C(=O)N1CC(O)CC1C(=O)O
InChI Key	DFYPIHUWXNUWHS-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 heteroaromatic compounds hydrocarbon derivatives indoles monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines n-formyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrroles pyrrolidine carboxylic acids secondary alcohols secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	carbonyl group carboxylic acid indole n-acylpyrrolidine alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound pyrrolidine carboxylic acid tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound n-formyl-alpha amino acid or derivatives pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives n-formyl-alpha-amino acid organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID02251604