DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:37 UTC
Update Date	2025-03-25 00:51:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189034
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₃N₂O₃+
Molecular Mass	231.1703
SMILES	CC(C)CC(NCC(=O)O)C(=O)[N+](C)(C)C
InChI Key	SDDGIWVKCUXRQK-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	leucine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organopnictogen compounds
Substituents	aliphatic acyclic compound secondary aliphatic amine carbonyl group carboxylic acid alpha-amino acid amide amino acid secondary amine organic oxide monocarboxylic acid or derivatives organic oxygen compound leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hydrocarbon derivative organic nitrogen compound organic cation organooxygen compound amine

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