DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:56 UTC
Update Date	2025-03-25 00:54:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205680
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₆N₄O₃
Molecular Mass	286.2005
SMILES	NCCCCC(N)C(=O)NCCCN1CCC1C(=O)O
InChI Key	JKRGXWHJBRKQMF-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	alpha amino acid amides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds azetidinecarboxylic acids azetidines carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid fatty amide azetidinecarboxylic acid organic oxide aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound tertiary amine organoheterocyclic compound alpha-amino acid amide azacycle tertiary aliphatic amine carboxamide group n-acyl-amine azetidine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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