DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:22 UTC
Update Date	2025-03-21 18:38:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00120849
Frequency	21.5
Structure
Chemical Formula	C₂₀H₂₈N₄O₄
Molecular Mass	388.2111
SMILES	CCC(C)C(NC(=O)C(C)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChI Key	QJABSQFUHKHTNP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives indoles isoleucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides pyrroles secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid 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 isoleucine or derivatives organoheterocyclic compound 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-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole alanine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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