DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:47 UTC
Update Date	2025-03-25 00:52:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02191634
Frequency	0.5
Structure
Chemical Formula	C₁₈H₃₀N₂O₁₂S
Molecular Mass	498.1519
SMILES	CC(=O)NC1C(O)CC(CSCCC(N)C(=O)O)OC1OC1C(C(=O)O)OC(O)C(O)C1O
InChI Key	KHCGHCAAKYCBJV-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 acetamides alpha amino acids carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives glucuronic acid derivatives hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides 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 monosaccharide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative pyran carboxylic acid saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal hydroxy fatty acid oxane organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives sulfenyl compound dialkylthioether carboxamide group oxacycle secondary carboxylic acid amide thia fatty acid organic oxygen compound thioether pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound saccharolipid organooxygen compound

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