DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:44 UTC
Update Date	2025-03-25 00:54:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209866
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₃N₃O₅
Molecular Mass	301.1638
SMILES	CC(N)C(=O)N1CCCC1C(=O)NC(CO)CCC(=O)O
InChI Key	WKYDFAYPDGKIFI-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 gamma amino acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides short-chain hydroxy acids and derivatives tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid gamma amino acid or derivatives n-acylpyrrolidine fatty acid alpha-amino acid or derivatives organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid pyrrolidine primary alcohol organoheterocyclic compound proline or derivatives alcohol alpha-amino acid amide azacycle carboxamide group alpha-dipeptide 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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