DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:53:26 UTC
Update Date	2025-03-21 18:03:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00046799
Frequency	71.4
Structure
Chemical Formula	C₈H₁₉N₂O₃+
Molecular Mass	191.139
SMILES	C[N+](C)(C)C(O)CCC(N)C(=O)O
InChI Key	FWPDUHAIIOEGQD-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	alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	carbonyl compounds carboxylic acids fatty acids and conjugates hemiaminals hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic cations organic oxides organic salts organonitrogen compounds organopnictogen compounds short-chain hydroxy acids and derivatives tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid tetraalkylammonium salt fatty acid hemiaminal organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound alpha-amino acid organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic cation organic salt organooxygen compound alkanolamine

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