DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:26 UTC
Update Date	2025-03-25 00:45:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152156
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₉N₃O₁₂S
Molecular Mass	523.1472
SMILES	NC(CCSCC1OC(n2ccc(=O)[nH]c2=O)C(OC2OC(CO)C(O)C(O)C2O)C1O)C(=O)O
InChI Key	KWANVMYTEIQAMV-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	5'-s-alkylthio-5'-deoxyribonucleosides acetals alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids lactams monoalkylamines monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyrimidones secondary alcohols sulfenyl compounds tetrahydrofurans thia fatty acids vinylogous amides
Substituents	fatty acyl carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound monosaccharide pyrimidone alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative pyrimidine saccharide organic oxide 5'-s-alkylthio-5'-deoxyribonucleoside acetal organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid oxane primary alcohol organoheterocyclic compound alcohol vinylogous amide 5'-deoxyribonucleoside carbonic acid derivative sulfenyl compound azacycle tetrahydrofuran dialkylthioether 5'-deoxy-5'-thionucleoside heteroaromatic compound oxacycle monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound saccharolipid organooxygen compound

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