DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:00 UTC
Update Date	2025-03-25 00:54:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205817
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₉N₃O₅
Molecular Mass	261.1325
SMILES	NCCCCC(NC=O)C(=O)NC(CO)C(=O)O
InChI Key	JTYGBPVFRFYUFD-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	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-formyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary alcohols secondary carboxylic acid amides serine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-formyl-alpha amino acid or derivatives primary alcohol n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid hydroxy acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives n-formyl-alpha-amino acid organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound serine or derivatives organooxygen compound

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