DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:58 UTC
Update Date	2025-03-25 00:59:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240021
Frequency	0.5
Structure
Chemical Formula	C₈H₁₇N₃O₃
Molecular Mass	203.127
SMILES	NCCCC(=O)NCC(N)CC(=O)O
InChI Key	OHPFQBLTERCRIV-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	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	beta amino acids and derivatives carbonyl compounds carboxylic acids fatty acids and conjugates hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide fatty acid carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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