DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:34:20 UTC
Update Date	2025-03-21 17:56:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00002230
Frequency	2760.8
Structure
Chemical Formula	C₉H₁₄N₂O₅
Molecular Mass	230.0903
SMILES	CC(O)C(NC(=O)C1CCC(=O)N1)C(=O)O
InChI Key	IDUPFOZIWWNGFZ-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 beta hydroxy acids and derivatives carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids lactams monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl 2-pyrrolidone carbonyl group lactam carboxylic acid short-chain hydroxy acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives beta-hydroxy acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid pyrrolidine pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid hydroxy acid carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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