DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:34 UTC
Update Date	2025-03-25 00:45:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152433
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₉NO₁₀S
Molecular Mass	487.1512
SMILES	NC(CCSC(CCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)Cc1ccccc1)C(=O)O
InChI Key	UGNJHAZHRMOHPU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	saccharolipids
Subclass	saccharolipids
Direct Parent	saccharolipids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals alpha amino acids benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dialkylthioethers fatty acid esters glucuronic acid derivatives hydrocarbon derivatives hydroxy fatty acids monoalkylamines monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols sulfenyl compounds thia fatty acids tricarboxylic acids and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound o-glucuronide monosaccharide tricarboxylic acid or derivatives alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives sulfenyl compound dialkylthioether hydroxy acid oxacycle fatty acid ester thia fatty acid organic oxygen compound thioether pyran carboxylic acid ester secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound saccharolipid organooxygen compound

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