DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:09 UTC
Update Date	2025-03-25 00:59:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240448
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₉NO₉S
Molecular Mass	341.0781
SMILES	NC(CCSCOC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O
InChI Key	DAMJLOYAKKVHCH-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 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 monothioacetals o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols short-chain hydroxy acids and derivatives sulfenyl compounds thia fatty acids
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid glucuronic acid or derivatives heterocyclic fatty acid o-glucuronide monosaccharide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative pyran carboxylic acid monothioacetal 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives sulfenyl compound hydroxy acid oxacycle thia fatty acid 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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