DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:43:02 UTC
Update Date	2025-03-24 21:18:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01737548
Frequency	0.7
Structure
Chemical Formula	C₄₆H₇₅N₅O₃₄
Molecular Mass	1241.4293
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(NC(=O)CC(N)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	QLBPYGFBAAYLLP-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 alpha amino acids asparagine and derivatives c-glucuronides carbonyl compounds carboxylic acids fatty acyl glycosides hydrocarbon derivatives ketals monoalkylamines monosaccharides n-acyl amines 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 carbonyl group carboxylic acid fatty amide monosaccharide tricarboxylic acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives fatty n-acyl glycoside carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide pyran secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound

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