DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:22 UTC
Update Date	2025-03-21 18:39:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00125511
Frequency	38.4
Structure
Chemical Formula	C₂₀H₂₅N₅O₆
Molecular Mass	431.1805
SMILES	NC(CCC(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)O)C(=O)O
InChI Key	FSPDETFHTXEVJJ-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	oligopeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound 3-phenylpropanoic-acid fatty amide alpha-amino acid or derivatives organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives azole n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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