DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:05 UTC
Update Date	2025-03-25 00:58:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02228975
Frequency	0.5
Structure
Chemical Formula	C₂₇H₄₄N₂O₂₂
Molecular Mass	748.2386
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(NC(CC(=O)O)C(=O)O)C3O)OC(CO)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	SFGPRGAILLWFGC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	aspartic acid and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,3-dioxanes acetamides alpha amino acids amino acids c-glucuronides carbonyl compounds carboxylic acid orthoesters carboxylic acids dialkylamines hemiaminals hydrocarbon derivatives ketals monosaccharides organic oxides organopnictogen compounds ortho esters oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	carbonyl group carboxylic acid ortho ester amino acid monosaccharide tricarboxylic acid or derivatives carboxylic acid orthoester pyran carboxylic acid hemiaminal saccharide organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound orthocarboxylic acid derivative 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 organic oxygen compound pyran aspartic acid or derivatives secondary alcohol hydrocarbon derivative organic nitrogen compound meta-dioxane organooxygen compound amine

Showing information for DMID02228975