DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:15 UTC
Update Date	2025-03-21 18:06:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00065120
Frequency	47.1
Structure
Chemical Formula	C₁₅H₂₁N₃O₅
Molecular Mass	323.1481
SMILES	NCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)O
InChI Key	CCPPBDCIJMSTLB-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	acyl glycines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dipeptides gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives tyrosine or derivatives alpha-amino acid amide carboxamide group n-acyl-amine n-acylglycine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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