DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:14 UTC
Update Date	2025-03-21 18:37:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00118206
Frequency	22.1
Structure
Chemical Formula	C₁₀H₁₅N₃O₅
Molecular Mass	257.1012
SMILES	NC(=O)C(CCC(=O)O)NC(=O)C1CCC(=O)N1
InChI Key	VMNBZLCIMAUZJJ-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 heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides glutamic acid and derivatives heterocyclic fatty acids hydrocarbon derivatives lactams monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl 2-pyrrolidone carbonyl group lactam carboxylic acid heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid glutamic acid or derivatives carboxamide group n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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