DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:48 UTC
Update Date	2025-03-25 00:48:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168851
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₇N₃O₆
Molecular Mass	357.19
SMILES	CC(C)CC(NC(=O)C1CCC(=O)N1CCCC(N)C(=O)O)C(=O)O
InChI Key	HINVCXPPEIODPG-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 dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives lactams leucine and derivatives methyl-branched fatty acids monoalkylamines n-acyl-alpha amino acids n-alkylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl 2-pyrrolidone carbonyl group lactam carboxylic acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives organic oxide leucine or derivatives 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 methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine carboxamide group branched fatty acid alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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