DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:50 UTC
Update Date	2025-03-21 18:01:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00035724
Frequency	99.5
Structure
Chemical Formula	C₁₃H₂₀N₂O₁₁
Molecular Mass	380.1067
SMILES	NC(CCC(=O)NCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O
InChI Key	XYJKFYCMVVKRDL-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	acyl glycines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals alpha amino acids alpha-amino acyl ester of carbohydrates beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids glucuronic acid derivatives glutamine and derivatives hydrocarbon derivatives monoalkylamines monosaccharides n-acyl amines o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid glucuronic acid or derivatives glutamine or derivatives fatty amide o-glucuronide monosaccharide tricarboxylic acid or derivatives pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives alpha-amino acid ester hydroxy acid carboxamide group n-acyl-amine n-acylglycine oxacycle secondary carboxylic acid amide organic oxygen compound pyran carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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