DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:40 UTC
Update Date	2025-03-21 18:02:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00040081
Frequency	86.4
Structure
Chemical Formula	C₁₀H₁₆N₂O₉
Molecular Mass	308.0856
SMILES	NC(CC(=O)NC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O
InChI Key	PKKXJSJAFORORT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acyl glycosides
Direct Parent	fatty acyl glycosides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids asparagine and derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monosaccharides n-acyl amines n-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	carbonyl group carboxylic acid short-chain hydroxy acid glucuronic acid or derivatives heterocyclic fatty acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid n-glucuronide beta-hydroxy acid saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid asparagine or derivatives oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid fatty n-acyl glycoside carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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