DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:00 UTC
Update Date	2025-03-21 18:05:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00057420
Frequency	55.2
Structure
Chemical Formula	C₇H₁₄N₂O₃
Molecular Mass	174.1004
SMILES	CC(=O)NC(CN)CCC(=O)O
InChI Key	XVVZEJQIWUBOJG-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	delta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acetamides carbonyl compounds carboxylic acids fatty acids and conjugates gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty acid carboxamide group secondary carboxylic acid amide organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound delta amino acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound acetamide organooxygen compound

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