DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:45:26 UTC
Update Date	2025-03-21 18:00:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00027666
Frequency	136.9
Structure
Chemical Formula	C₁₁H₁₉N₃O₄
Molecular Mass	257.1376
SMILES	NC(=O)CCCC(N)C(=O)N1CCCC1C(=O)O
InChI Key	AXDICMAOKOJGPA-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 delta amino acids and derivatives fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidine carboxylic acids tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid fatty amide n-acylpyrrolidine alpha-amino acid or derivatives organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group alpha-dipeptide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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