DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:53 UTC
Update Date	2025-03-25 00:58:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233026
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₉NO₆
Molecular Mass	261.1212
SMILES	CCC(C)C(O)(CC(=O)O)C(=O)NCCC(=O)O
InChI Key	XLDKXNQKNRNXBT-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	beta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amino fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives methyl-branched fatty acids n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides tertiary alcohols
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid medium-chain hydroxy acid organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid alcohol methyl-branched fatty acid carboxamide group amino fatty acid branched fatty acid n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide tertiary alcohol organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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