DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:59:26 UTC
Update Date	2025-03-24 20:33:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01488200
Frequency	0.9
Structure
Chemical Formula	C₄₅H₇₄N₄O₃₃
Molecular Mass	1198.4235
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(NC(C)C(=O)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)CO
InChI Key	ZBDHRQITAGLEPL-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 alanine and derivatives alpha amino acids amino acids c-glucuronides carbonyl compounds carboxylic acids dialkylamines hemiaminals hydrocarbon derivatives ketals monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide tricarboxylic acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid hemiaminal n-acyl-alpha-hexosamine organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol secondary aliphatic amine pyran carboxylic acid or derivatives secondary amine carboxamide group oxacycle secondary carboxylic acid amide pyran secondary alcohol alanine or derivatives hydrocarbon derivative organic nitrogen compound amine

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