DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:45 UTC
Update Date	2025-03-25 00:56:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02216931
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₅N₃O₆
Molecular Mass	331.1743
SMILES	NCCCCC(C(=O)O)N1CCCC1C(=O)NC(CO)C(=O)O
InChI Key	DQFJXJUEIJLYLF-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 amino acids amino fatty acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines n-acyl-alpha amino acids n-alkylpyrrolidines organic oxides organopnictogen compounds primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides serine and derivatives trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives medium-chain hydroxy acid beta-hydroxy acid organic oxide aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid pyrrolidine primary alcohol tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine tertiary aliphatic amine hydroxy acid carboxamide group amino 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 serine or derivatives amine organooxygen compound

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