DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:45:49 UTC
Update Date	2025-03-21 18:00:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00028585
Frequency	131.5
Structure
Chemical Formula	C₁₂H₁₉N₃O₅
Molecular Mass	285.1325
SMILES	CC(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)O
InChI Key	UYHCEFWSEGLSBW-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	acetamides alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid glutamine or derivatives heterocyclic fatty acid fatty amide n-acylpyrrolidine fatty acid alpha-amino acid or derivatives organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound acetamide n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group 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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