DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:30 UTC
Update Date	2025-03-25 00:57:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223343
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₆N₄O₃
Molecular Mass	394.2005
SMILES	NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(N)CC(=O)O
InChI Key	RULXDAYZFRFSHF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino fatty acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives indoles medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds pyrroles secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid heterocyclic fatty acid indole fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organoheterocyclic compound amphetamine or derivatives alpha-amino acid amide azacycle heteroaromatic compound indole or derivatives carboxamide group amino fatty acid beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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