DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:32 UTC
Update Date	2025-03-21 18:41:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00133016
Frequency	19.0
Structure
Chemical Formula	C₁₀H₁₇N₃O₄
Molecular Mass	243.1219
SMILES	CC(C)C(NC(=O)C1CC(N)C(=O)N1)C(=O)O
InChI Key	IYGDORUCDYVNNU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives lactams methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl 2-pyrrolidone carbonyl group lactam carboxylic acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives carboxamide group branched fatty acid secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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