DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:14 UTC
Update Date	2025-03-25 00:49:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176745
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₆N₂O₁₇
Molecular Mass	600.2014
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC(=O)C(N)CCC(=O)O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	PXLXAEXCUVPUJB-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	alpha-amino acyl ester of carbohydrates
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acids c-glucuronides carbonyl compounds carboxylic acid esters carboxylic acids fatty acid esters fatty acyl glycosides of mono- and disaccharides glutamic acid and derivatives hydrocarbon derivatives ketals monoalkylamines monosaccharides 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 fatty acyl glycoside of mono- or disaccharide carbonyl group carboxylic acid monosaccharide tricarboxylic acid or derivatives pyran carboxylic acid saccharide organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives fatty acyl glycoside glutamic acid or derivatives carboxamide group oxacycle secondary carboxylic acid amide fatty acid ester organic oxygen compound pyran carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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