DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:41 UTC
Update Date	2025-03-25 00:49:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02177808
Frequency	0.5
Structure
Chemical Formula	C₇H₁₁N₃O₃
Molecular Mass	185.08
SMILES	N#CC(NC(=O)CCCN)C(=O)O
InChI Key	KWOSSWDEHCSWDJ-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 acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines nitriles organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group nitrile carboxylic acid gamma amino acid or derivatives fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound carbonitrile n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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