DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:56 UTC
Update Date	2025-03-25 01:01:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02249238
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₇NO₁₂S
Molecular Mass	387.0471
SMILES	COC1C(C(=O)O)OC(OC(=O)CNC(C)=O)C(OS(=O)(=O)O)C1O
InChI Key	MQYNNBYSLLDVSK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	acyl glycines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alkyl sulfates alpha amino acids alpha-amino acyl ester of carbohydrates carbonyl compounds carboxylic acid esters carboxylic acids dialkyl ethers dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group ether carboxylic acid glucuronic acid or derivatives o-glucuronide monosaccharide pyran carboxylic acid dialkyl ether 1-o-glucuronide saccharide organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives alpha-amino acid ester carboxamide group n-acylglycine oxacycle secondary carboxylic acid amide organic oxygen compound pyran carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol dicarboxylic acid or derivatives sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester organooxygen compound

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