DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:39:27 UTC
Update Date	2025-03-24 20:25:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01441596
Frequency	0.9
Structure
Chemical Formula	C₃₇H₆₃N₃O₂₉
Molecular Mass	1013.3547
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(=O)CN)C(OC3OC(CO)C(O)C(O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	IYJKIYCTRRMIAJ-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 amino acid amides alpha amino acids alpha-hydroxyaldehydes beta-hydroxy aldehydes c-glucuronides carboxylic acids fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives ketals monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group carboxylic acid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives fatty acyl glycoside alpha-amino acid amide aldehyde carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkyl glycoside

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