DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:28 UTC
Update Date	2025-03-25 00:48:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168115
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₂N₄O₂
Molecular Mass	302.1743
SMILES	CC(N)C(=O)NC(CCC(N)=O)Cc1c[nH]c2ccccc12
InChI Key	PENMYJFTNNHUBV-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	alanine and derivatives alpha amino acid amides alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids and derivatives fatty amides gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides pyrroles secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group indole gamma amino acid or derivatives fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound alpha-amino acid amide azacycle heteroaromatic compound indole or derivatives carboxamide group secondary carboxylic acid amide organic oxygen compound pyrrole hybrid peptide alanine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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