DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:12 UTC
Update Date	2025-03-21 18:06:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00062617
Frequency	49.5
Structure
Chemical Formula	C₉H₁₈N₂O₆
Molecular Mass	250.1165
SMILES	CC(O)C(N)C(=O)NC1OC(CO)C(O)C1O
InChI Key	NXXXYWKWYHEEOH-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	alpha amino acid amides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group fatty amide monosaccharide saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound alcohol alpha-amino acid amide tetrahydrofuran carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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