DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:17 UTC
Update Date	2025-03-21 18:06:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00065186
Frequency	47.0
Structure
Chemical Formula	C₁₁H₁₇N₃O₅
Molecular Mass	271.1168
SMILES	NC(=O)CCCC(NC(=O)C1CCC(=O)N1)C(=O)O
InChI Key	QGCCFFRRMDVDFL-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 amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides heterocyclic fatty acids hydrocarbon derivatives lactams medium-chain fatty acids 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 medium-chain fatty acid pyrrolidine pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group amino fatty 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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