DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:44 UTC
Update Date	2025-03-21 18:37:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00114569
Frequency	23.0
Structure
Chemical Formula	C₉H₁₃N₃O₅
Molecular Mass	243.0855
SMILES	NC(=O)CC(N)C(=O)N1C(=O)CCC1C(=O)O
InChI Key	QWFYPXPAYWTJDB-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 dicarboximides fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines n-substituted carboxylic acid imides organic oxides organonitrogen compounds organopnictogen compounds oxoprolines primary carboxylic acid amides proline and derivatives pyrrolidine carboxylic acids pyrrolidine-2-ones
Substituents	primary carboxylic acid amide fatty acyl 2-pyrrolidone carbonyl group carboxylic acid fatty amide n-acylpyrrolidine alpha-amino acid or derivatives organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide pyrrolidine carboxylic acid imide, n-substituted pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives oxoproline alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group carboxylic acid imide 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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