DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:36 UTC
Update Date	2025-03-25 00:57:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223556
Frequency	0.5
Structure
Chemical Formula	C₉H₁₇N₃O₅
Molecular Mass	247.1168
SMILES	NC(=O)C(N)CCCC(=O)NC(CO)C(=O)O
InChI Key	XCJCKNFVIJRKHB-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids delta amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary alcohols primary carboxylic acid amides secondary carboxylic acid amides serine and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives primary alcohol alcohol n-acyl-alpha-amino acid hydroxy acid carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound serine or derivatives organooxygen compound

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