DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 01:52:17 UTC
Update Date	2025-03-21 20:06:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00324924
Frequency	6.0
Structure
Chemical Formula	C₄₇H₇₅N₃O₃₇
Molecular Mass	1273.4079
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)C(NC(C)=O)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3O)C2O)(C(=O)O)OC1C(O)C(=O)O
InChI Key	TYPBXGXQODDBST-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	acetamides alkyl glycosides alpha hydroxy acids and derivatives alpha-hydroxyaldehydes beta-hydroxy aldehydes c-glucuronides carboxylic acids fatty acyl glycosides of mono- and disaccharides gamma amino acids and derivatives hydrocarbon derivatives ketals monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group carboxylic acid gamma amino acid or derivatives alpha-hydroxy acid monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives fatty acyl glycoside aldehyde hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide pyran secondary alcohol hydrocarbon derivative organic nitrogen compound alkyl glycoside

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