DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:47 UTC
Update Date	2025-03-25 00:53:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203005
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₂N₂O₅
Molecular Mass	240.0746
SMILES	O=C1CC(C(=O)O)N(C(=O)C2CCC(=O)N2)C1
InChI Key	YBSURNXCHPIXPX-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 carboxylic acids cyclic ketones hydrocarbon derivatives lactams monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds oxoprolines proline and derivatives pyrrolidine carboxylic acids pyrrolidine-2-ones pyrrolidine-3-ones pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	2-pyrrolidone carbonyl group lactam carboxylic acid 3-pyrrolidone n-acylpyrrolidine cyclic ketone alpha-amino acid or derivatives ketone organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine 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 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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