DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:29 UTC
Update Date	2025-03-25 00:59:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238909
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₅N₅O₃
Molecular Mass	407.1957
SMILES	NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(N)Cc1c[nH]c2ccccc12
InChI Key	NQEVMHNYQRVFKC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives primary carboxylic acid amides pyrroles secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group indole fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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