DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:17:12 UTC
Update Date	2025-03-21 18:35:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00103472
Frequency	26.3
Structure
Chemical Formula	C₃₁H₅₁NO₂₅
Molecular Mass	837.275
SMILES	CC(=O)NC1C(OC2C(O)C(CO)OC(OC(C(=O)O)C(O)C(O)C=O)C2O)OC(CO)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O
InChI Key	QRFCNLMHNRPHFY-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 alpha-hydroxyaldehydes beta hydroxy acids and derivatives beta-hydroxy aldehydes carboxylic acids fatty acyl glycosides of mono- and disaccharides heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid monosaccharide fatty acid carboxylic acid derivative n-acyl-alpha-hexosamine beta-hydroxy acid organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hydroxy fatty acid oxane primary alcohol organoheterocyclic compound acetamide alcohol fatty acyl glycoside aldehyde hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives secondary alcohol hydrocarbon derivative organic nitrogen compound

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