DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:25 UTC
Update Date	2025-03-25 00:45:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152095
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁N₃O₅
Molecular Mass	323.1481
SMILES	NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NCCO
InChI Key	FTOBRVNZWVAOEI-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 homomonocyclic compounds
Alternative Parents	alcohols and polyols alkanolamines alpha amino acid amides alpha amino acids amphetamines and derivatives aspartic acid and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylethanolamines organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alkanolamine n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acylethanolamine n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound aspartic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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