DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:37 UTC
Update Date	2025-03-21 18:38:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00119114
Frequency	21.9
Structure
Chemical Formula	C₁₂H₂₁NO₉
Molecular Mass	323.1216
SMILES	NC(CCCCOC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O
InChI Key	LPXCEYZVYUKPJY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	saccharolipids
Subclass	saccharolipids
Direct Parent	saccharolipids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals alpha amino acids amino fatty acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols
Substituents	fatty acyl carbonyl group carboxylic acid glucuronic acid or derivatives heterocyclic fatty acid o-glucuronide monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid medium-chain hydroxy acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid amino fatty acid oxacycle organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound saccharolipid organooxygen compound

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