DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:40 UTC
Update Date	2025-03-21 18:34:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00102175
Frequency	26.7
Structure
Chemical Formula	C₉H₁₇NO₅
Molecular Mass	219.1107
SMILES	CCC(C)(O)C(O)C(=O)NCCC(=O)O
InChI Key	CDDGNQIQRYOJFK-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	1,2-diols carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides tertiary alcohols
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide monosaccharide saccharide organic oxide organonitrogen compound organopnictogen compound 1,2-diol alcohol carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide tertiary alcohol monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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