DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:54 UTC
Update Date	2025-03-25 00:50:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180568
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₄NO₁₁+
Molecular Mass	382.1344
SMILES	C[N+](C)(C)CC(CC(=O)O)OC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	WPGHMICWYKQSQX-UHFFFAOYSA-O
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 amines beta hydroxy acids and derivatives carbonic acid diesters carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monosaccharides o-glucuronides organic cations organic oxides organic salts organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols short-chain hydroxy acids and derivatives tetraalkylammonium salts
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid glucuronic acid or derivatives heterocyclic fatty acid o-glucuronide monosaccharide fatty acid carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hydroxy fatty acid organic cation oxane organic salt organoheterocyclic compound alcohol carbonic acid derivative pyran carboxylic acid or derivatives tetraalkylammonium salt quaternary ammonium salt carbonic acid diester hydroxy acid oxacycle organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound saccharolipid amine organooxygen compound

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