DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:18:34 UTC
Update Date	2025-03-25 01:00:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02243735
Frequency	0.5
Structure
Chemical Formula	C₂₇H₄₇N₃O₂₀
Molecular Mass	733.2753
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(NCCC(N)C(=O)O)C3O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	UPWDJJSCOKQIJA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	saccharolipids
Subclass	saccharolipids
Direct Parent	saccharolipids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acids amino acids c-glucuronides carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hemiaminals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids ketals monoalkylamines monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid or derivatives amino acid heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid hemiaminal saccharide organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid 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 secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound saccharolipid organooxygen compound amine

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