DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:11 UTC
Update Date	2025-03-25 01:01:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252103
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₅N₃O₅
Molecular Mass	315.1794
SMILES	NCCCC(=O)NC(CCCCN1CCC1C(=O)O)C(=O)O
InChI Key	FDNQFLQPNCZKED-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids azacyclic compounds azetidinecarboxylic acids azetidines carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid gamma amino acid or derivatives fatty amide fatty acid azetidinecarboxylic acid organic oxide aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound medium-chain fatty acid tertiary amine organoheterocyclic compound azacycle n-acyl-alpha-amino acid tertiary aliphatic amine carboxamide group amino fatty acid n-acyl-amine azetidine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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