DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:32 UTC
Update Date	2025-03-25 00:51:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188862
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₃N₃O₅
Molecular Mass	373.1638
SMILES	CC(O)C(NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)O
InChI Key	KUGLPKPHFBNRDN-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 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 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 organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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