DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:35 UTC
Update Date	2025-03-25 00:51:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184354
Frequency	0.5
Structure
Chemical Formula	C₂₈H₂₉N₃O₅
Molecular Mass	487.2107
SMILES	NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	AZBAOXFFFLMUBH-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	oligopeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tertiary carboxylic acid amides tetrahydroisoquinolines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound tertiary carboxylic acid amide organonitrogen compound tetrahydroisoquinoline alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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