DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:33 UTC
Update Date	2025-03-25 00:47:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161421
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₁N₃O₃
Molecular Mass	231.1583
SMILES	NCCNC(=O)CCCCNCCC(=O)O
InChI Key	PDSPQAZJMZGLKI-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	beta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amino acids carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty amide organic oxide organonitrogen compound organopnictogen compound secondary aliphatic amine secondary amine carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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