DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:55 UTC
Update Date	2025-03-25 00:54:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207928
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₉N₃O₅
Molecular Mass	343.2107
SMILES	CC(C)CC(NC(=O)C1CC(O)CN1C(=O)C(N)C(C)C)C(=O)O
InChI Key	IEVDUKIFRZSLND-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 heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids leucine and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tertiary carboxylic acid amides valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid n-acylpyrrolidine 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 hydroxy fatty acid pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol 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 secondary alcohol hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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