DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:48 UTC
Update Date	2025-03-25 00:59:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237390
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₀N₄O₃
Molecular Mass	316.1535
SMILES	Nc1cccc2c(CC(NC(=O)C3CCCN3)C(=O)O)c[nH]c12
InChI Key	YRBCHKWQHGFIIH-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 heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids dialkylamines heteroaromatic compounds hydrocarbon derivatives indoles monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary amines proline and derivatives pyrroles pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid indole alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives secondary amine carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary amine organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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