DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:04 UTC
Update Date	2025-03-25 00:49:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176378
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₇N₃O₅
Molecular Mass	283.1168
SMILES	NCC(=O)N1C(=O)CCC1C(=O)N1CCCC1C(=O)O
InChI Key	YQAVHDHXEIPPJD-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	oligopeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboximides 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 proline and derivatives pyrrolidine carboxylic acids pyrrolidine-2-ones pyrrolidinecarboxamides tertiary carboxylic acid amides
Substituents	2-pyrrolidone carbonyl group carboxylic acid 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 dicarboximide pyrrolidine carboxylic acid imide, n-substituted 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 carboxylic acid imide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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