DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:16 UTC
Update Date	2025-03-25 01:01:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250001
Frequency	0.5
Structure
Chemical Formula	C₈H₁₇N₂O₃+
Molecular Mass	189.1234
SMILES	C[N+](C)(C)C(CC(=O)O)C(=O)CN
InChI Key	WUHBHMYRTLEFBE-UHFFFAOYSA-O
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	alpha-amino ketones amines carboxylic acids gamma-keto acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds short-chain keto acids and derivatives tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid short-chain keto acid ketone organic oxide alpha-aminoketone organonitrogen compound organopnictogen compound delta amino acid or derivatives organic cation organic salt tetraalkylammonium salt quaternary ammonium salt gamma-keto acid monocarboxylic acid or derivatives organic oxygen compound keto acid hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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