DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:06 UTC
Update Date	2025-03-25 00:48:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167281
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₉NO₂₁S
Molecular Mass	697.1735
SMILES	CC(=O)NC1C(OC2C(O)C(COS(=O)(=O)O)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(O)C1OC(C)C(=O)O
InChI Key	NOEQMMDGSBULTB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alkyl glycosides alkyl sulfates alpha-hydroxyaldehydes beta-hydroxy aldehydes carboxylic acids dialkyl ethers fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides sugar acids and derivatives sulfuric acid monoesters
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde sulfuric acid monoester carbonyl group ether carboxylic acid monosaccharide carboxylic acid derivative dialkyl ether n-acyl-alpha-hexosamine muramic_acid organic oxide alpha-hydroxyaldehyde acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol organic sulfuric acid or derivatives fatty acyl glycoside aldehyde carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester alkyl glycoside

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