DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:33 UTC
Update Date	2025-03-25 00:51:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184253
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₂O₁₃S
Molecular Mass	446.0843
SMILES	NC(CCC(=O)NC(=O)COC1OC(COS(=O)(=O)O)C(O)C(O)C1O)C(=O)O
InChI Key	UDEQYNNGKRCFTO-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 of mono- and disaccharides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals alkyl sulfates alpha amino acids carbonyl compounds carboxylic acids dicarboximides glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-unsubstituted carboxylic acid imides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes secondary alcohols short-chain hydroxy acids and derivatives sulfated fatty acids sulfuric acid monoesters
Substituents	fatty acyl glycoside of mono- or disaccharide sulfuric acid monoester carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative carboxylic acid imide, n-unsubstituted saccharide organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid dicarboximide oxane organoheterocyclic compound alcohol organic sulfuric acid or derivatives n-acyl-amine carboxylic acid imide oxacycle monocarboxylic acid or derivatives organic oxygen compound sulfated fatty acid secondary alcohol sulfate-ester hydrocarbon derivative primary aliphatic amine organic nitrogen compound sulfuric acid ester organooxygen compound

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