DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:27 UTC
Update Date	2025-03-25 00:51:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186381
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₉N₅O₄
Molecular Mass	403.222
SMILES	NCCCCC(N)C(=O)NC(CC1=CNC(Cc2ccccc2)NC1=O)C(=O)O
InChI Key	OXQBQOJHMQHNPT-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 heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives hydropyrimidines lactams monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid fatty amide alpha-amino acid or derivatives organic oxide organonitrogen compound hydropyrimidine alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine 1,2,3,4-tetrahydropyrimidine carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

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