DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:22:16 UTC
Update Date	2025-03-25 00:16:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01257790
Frequency	1.1
Structure
Chemical Formula	C₄₀H₆₇N₃O₃₀
Molecular Mass	1069.3809
SMILES	CC(=O)NC1C(NC(C)C(=O)O)C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C1OC1OC(CO)C(O)C(OC2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)C1O
InChI Key	GBJPRXJNSKVQSK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acyl glycosides
Direct Parent	fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alanine and derivatives alkyl glycosides alpha amino acids alpha-hydroxyaldehydes amino acids beta-hydroxy aldehydes c-glucuronides carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives ketals monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid saccharide 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 secondary aliphatic amine pyran carboxylic acid or derivatives aldehyde secondary amine carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives alanine or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine alkyl glycoside

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