DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:50 UTC
Update Date	2025-03-25 00:54:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205448
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₉N₃O₅
Molecular Mass	345.1325
SMILES	NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]cc1C(=O)O)C(=O)O
InChI Key	WQHRZUGAJZGBBY-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 heteromonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds dicarboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives pyrrole carboxylic acids secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound pyrrole-3-carboxylic acid or derivatives fatty amide alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 1-carboxy-2-haloaromatic compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives vinylogous amide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound pyrrole dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrole-3-carboxylic acid organooxygen compound

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